Showing NP-Card for Fuscopeptin B (NP0023059)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 08:11:21 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:40:43 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0023059 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Fuscopeptin B | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Fuscopeptin B is found in Pseudomonas fuscovaginae. Fuscopeptin B was first documented in 1996 (PMID: 8601458). Based on a literature review very few articles have been published on N-[(2E)-1-[2-({1-[(1-{[1-({1-[(1-{[1-({[(1-{[1-({1-[(1-{[(1Z)-1-{[6,9-bis(1-aminoethyl)-3-benzyl-5,8,11,14-tetrahydroxy-12,16-dimethyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}prop-1-en-1-yl]-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]methyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]-3-methylbutyl}-C-hydroxycarbonimidoyl)pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydecanimidic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0023059 (Fuscopeptin B)
Mrv1652307042108133D
274276 0 0 0 0 999 V2000
1.2577 -1.9658 1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2352 -2.1595 1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 -1.3594 2.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1358 -0.3308 3.3236 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4195 1.0066 3.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4614 1.2632 2.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2988 2.1767 3.7007 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1934 3.2105 2.7244 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3809 4.6063 2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7269 5.1872 3.8281 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1508 5.3399 1.5037 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2925 6.7526 1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 5.4323 0.8221 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4960 5.3028 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3580 5.2120 -1.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7447 5.2291 -1.3830 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3014 4.4809 -2.6176 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5895 3.2956 -2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3612 2.8895 -1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0333 2.4180 -3.4407 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8133 1.0734 -3.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3461 2.0970 -3.1486 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 0.9772 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1878 0.0249 -2.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3596 0.8473 -2.3362 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9823 1.9237 -3.1520 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8012 1.7876 -4.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1554 0.7309 -4.9035 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2160 2.6483 -5.6625 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8039 1.8763 -6.8979 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4451 1.7780 -7.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 2.3921 -6.3275 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 1.0031 -8.2003 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4349 -0.4084 -8.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5807 0.8340 -7.8600 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 0.8024 -8.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7403 0.9448 -9.8751 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0289 0.5896 -7.9162 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3659 -0.9098 -8.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1149 1.3711 -8.4295 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6770 2.3292 -7.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2081 2.4572 -6.3950 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 3.1730 -7.9953 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4765 4.0076 -9.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1384 4.0360 -6.8372 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5796 3.3974 -5.6627 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7107 2.1320 -5.6724 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8854 4.1663 -4.4062 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6121 5.6217 -4.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2719 3.5055 -3.2725 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9324 2.5123 -2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0853 2.1393 -2.8399 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2628 1.8408 -1.3638 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8921 2.4272 -0.1439 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3712 1.9212 1.1598 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5158 0.4583 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9294 2.3158 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6646 0.4309 -1.4945 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6319 -0.5800 -1.5102 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4562 -0.2448 -1.3974 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0145 -2.0371 -1.6647 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6990 -2.1820 -3.0469 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6292 -2.7657 -3.9576 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3486 -2.4887 -3.1565 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8714 -2.8579 -1.8112 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2201 -3.7706 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0420 -4.1372 -1.4618 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5470 -4.3814 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6968 -5.1555 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 -5.4971 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8306 -4.1703 0.8685 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1013 -4.2099 2.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2172 -4.4136 3.0862 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4828 -4.0056 2.7349 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4798 -3.7807 4.2386 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7426 -2.6122 4.5159 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8424 -3.6473 4.7744 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7391 -4.8168 4.6693 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4706 -6.0141 5.4626 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2699 -6.8399 5.3200 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1145 -7.4858 3.9807 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8349 -8.2783 3.8369 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6943 -9.3885 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6059 3.0445 -5.7809 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1421 3.8351 -4.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7699 3.8890 -7.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3099 6.4891 -1.7498 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3929 7.3720 -2.5913 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 7.3337 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 1.8899 4.0379 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8934 0.8868 5.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5325 3.0969 4.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 -1.4295 2.7958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8917 -0.5831 3.6023 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1540 -2.3541 2.1054 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5823 -2.5231 2.1417 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1455 -2.8823 3.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6633 -2.2886 4.4858 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1737 -3.8290 3.6856 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4162 -3.9476 2.9906 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3960 -4.8550 3.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2702 -4.5826 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4418 -5.5184 1.5191 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0362 -4.1769 0.5409 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.3468 -3.5935 0.6272 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.3753 -4.5922 0.1384 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.1672 -5.0129 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7313 -4.1108 0.3269 N 0 0 1 0 0 0 0 0 0 0 0 0
-9.4544 -2.3413 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9567 -2.4048 -1.3411 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0152 -1.1420 0.2264 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.6609 -0.3381 1.4233 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.9767 0.2875 1.9130 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.9812 -0.8040 2.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8402 1.1060 3.0693 N 0 0 2 0 0 0 0 0 0 0 0 0
-8.7886 0.7677 0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4152 1.5729 0.1663 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4500 1.0552 1.2314 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7839 1.5995 2.3614 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2735 1.1837 3.7214 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5084 1.9255 4.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3038 1.5003 5.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6993 2.2709 6.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2786 3.4630 6.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4833 3.8683 6.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0902 3.0992 5.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3246 1.1115 2.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5037 2.0357 2.0431 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0429 -0.2075 2.3167 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2830 -1.2956 1.5137 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7219 -1.1890 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7434 -2.6736 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 -2.2261 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5009 -0.9012 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 -2.9483 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6278 -0.7030 3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1890 2.5364 4.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0596 2.8370 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 4.8780 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 6.8577 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 7.4493 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0482 6.9038 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3178 5.5540 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4227 4.5371 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5527 4.8826 -3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1988 2.7759 -4.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 1.1835 -3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9627 0.8476 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1662 0.3055 -3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0249 2.8639 -3.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6264 -0.1370 -2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 0.9652 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4775 2.6562 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 3.5264 -5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5254 1.4831 -7.4992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9196 1.4185 -9.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -0.2577 -7.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3273 -0.8079 -9.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -1.0514 -7.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 0.7148 -6.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8562 0.8130 -6.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9356 -1.4557 -7.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9103 -1.2786 -8.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4747 -1.0198 -7.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4669 1.2612 -9.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6414 2.4192 -8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3690 3.4072 -10.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4855 4.5013 -9.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2313 4.8173 -9.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0194 5.0539 -6.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0212 4.0334 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 6.1058 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5221 5.8000 -4.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8575 6.1348 -3.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2829 3.8143 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1829 1.9108 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9948 2.1772 -0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8800 3.5409 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9857 2.4537 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8535 0.2964 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5394 -0.0682 1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2905 -0.0467 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8580 2.5595 2.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6329 3.2462 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2166 1.4858 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6383 0.1137 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7404 -2.2797 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5306 -2.8940 -2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0968 -1.2410 -3.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6152 -2.3270 -4.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7701 -3.8603 -3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5149 -3.1434 -3.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0295 -1.4630 -3.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9966 -5.6363 1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3334 -6.0669 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 -4.5550 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -6.0589 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6809 -4.0171 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1730 -4.7796 2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8939 -3.0254 2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9231 -4.5914 4.7556 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8460 -2.8241 4.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3452 -2.7263 4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7902 -3.3031 5.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8359 -5.1621 3.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7904 -4.4716 4.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5962 -5.7723 6.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3661 -6.7168 5.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4893 -7.7664 6.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3297 -6.4811 5.7716 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1692 -6.8004 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9821 -8.2228 3.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8044 -8.6898 2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9511 -7.5838 3.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6165 -9.7249 4.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9475 -9.0640 5.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2960 -10.2790 4.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2739 2.1532 -5.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2908 4.3167 -4.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8105 4.6145 -5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7445 3.1919 -3.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3075 3.3281 -7.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3846 4.7831 -6.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7572 4.2213 -7.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 6.3547 -2.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1630 6.8576 -3.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5079 7.7123 -2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 8.2712 -2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8241 7.4369 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 8.3440 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5778 6.8936 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2314 1.4364 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5391 0.0650 4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 1.3868 6.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9572 0.6108 5.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 3.7547 3.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1559 3.6057 5.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5732 2.6772 4.7331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6273 -3.0383 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7994 -3.3728 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0016 -4.5363 4.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9699 -3.0068 2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0755 -5.3419 3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9081 -4.2370 4.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8363 -5.6537 4.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6072 -4.3146 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5783 -3.3990 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2740 -5.5217 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6156 -6.0386 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7369 -4.3832 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1023 -5.1130 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9179 -3.2151 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4210 -4.7884 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7835 -0.7088 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2760 -0.9690 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3589 0.9267 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3887 -1.7262 2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6168 -0.9527 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5789 -0.5236 3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5291 0.5350 3.8878 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7764 1.5165 3.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7581 0.8480 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8119 2.7007 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3224 1.4681 3.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1051 0.1083 3.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8884 0.5852 4.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 1.9372 6.6765 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7588 4.0324 7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9566 4.7836 6.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0496 3.4271 4.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3604 -1.5488 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4886 -0.8981 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2562 -2.1685 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8856 -0.4539 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
53 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
68 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
72 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
29 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 1 0 0 0 0
16 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 1 0 0 0 0
7 90 1 0 0 0 0
90 91 1 0 0 0 0
90 92 1 0 0 0 0
3 93 1 0 0 0 0
93 94 2 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 2 0 0 0 0
97 99 1 0 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
100102 1 0 0 0 0
102103 2 0 0 0 0
102104 1 0 0 0 0
104105 1 0 0 0 0
105106 1 0 0 0 0
106107 1 0 0 0 0
106108 1 0 0 0 0
105109 1 0 0 0 0
109110 2 0 0 0 0
109111 1 0 0 0 0
111112 1 0 0 0 0
112113 1 0 0 0 0
113114 1 0 0 0 0
113115 1 0 0 0 0
112116 1 0 0 0 0
116117 2 0 0 0 0
116118 1 0 0 0 0
118119 1 0 0 0 0
119120 1 0 0 0 0
120121 1 0 0 0 0
121122 2 0 0 0 0
122123 1 0 0 0 0
123124 2 0 0 0 0
124125 1 0 0 0 0
125126 2 0 0 0 0
119127 1 0 0 0 0
127128 2 0 0 0 0
127129 1 0 0 0 0
129130 1 0 0 0 0
130131 1 0 0 0 0
65 61 1 0 0 0 0
130 96 1 0 0 0 0
126121 1 0 0 0 0
1132 1 0 0 0 0
1133 1 0 0 0 0
1134 1 0 0 0 0
2135 1 0 0 0 0
4136 1 0 0 0 0
7137 1 1 0 0 0
8138 1 0 0 0 0
11139 1 6 0 0 0
12140 1 0 0 0 0
12141 1 0 0 0 0
12142 1 0 0 0 0
13143 1 0 0 0 0
16144 1 1 0 0 0
17145 1 0 0 0 0
20146 1 6 0 0 0
21147 1 0 0 0 0
21148 1 0 0 0 0
21149 1 0 0 0 0
22150 1 0 0 0 0
25151 1 0 0 0 0
25152 1 0 0 0 0
26153 1 0 0 0 0
29154 1 1 0 0 0
30155 1 0 0 0 0
33156 1 6 0 0 0
34157 1 0 0 0 0
34158 1 0 0 0 0
34159 1 0 0 0 0
35160 1 0 0 0 0
38161 1 1 0 0 0
39162 1 0 0 0 0
39163 1 0 0 0 0
39164 1 0 0 0 0
40165 1 0 0 0 0
43166 1 6 0 0 0
44167 1 0 0 0 0
44168 1 0 0 0 0
44169 1 0 0 0 0
45170 1 0 0 0 0
48171 1 1 0 0 0
49172 1 0 0 0 0
49173 1 0 0 0 0
49174 1 0 0 0 0
50175 1 0 0 0 0
53176 1 1 0 0 0
54177 1 0 0 0 0
54178 1 0 0 0 0
55179 1 1 0 0 0
56180 1 0 0 0 0
56181 1 0 0 0 0
56182 1 0 0 0 0
57183 1 0 0 0 0
57184 1 0 0 0 0
57185 1 0 0 0 0
58186 1 0 0 0 0
61187 1 1 0 0 0
62188 1 0 0 0 0
62189 1 0 0 0 0
63190 1 0 0 0 0
63191 1 0 0 0 0
64192 1 0 0 0 0
64193 1 0 0 0 0
69194 1 0 0 0 0
70195 1 0 0 0 0
70196 1 0 0 0 0
70197 1 0 0 0 0
71198 1 0 0 0 0
74199 1 0 0 0 0
74200 1 0 0 0 0
75201 1 1 0 0 0
76202 1 0 0 0 0
77203 1 0 0 0 0
77204 1 0 0 0 0
78205 1 0 0 0 0
78206 1 0 0 0 0
79207 1 0 0 0 0
79208 1 0 0 0 0
80209 1 0 0 0 0
80210 1 0 0 0 0
81211 1 0 0 0 0
81212 1 0 0 0 0
82213 1 0 0 0 0
82214 1 0 0 0 0
83215 1 0 0 0 0
83216 1 0 0 0 0
83217 1 0 0 0 0
84218 1 6 0 0 0
85219 1 0 0 0 0
85220 1 0 0 0 0
85221 1 0 0 0 0
86222 1 0 0 0 0
86223 1 0 0 0 0
86224 1 0 0 0 0
87225 1 6 0 0 0
88226 1 0 0 0 0
88227 1 0 0 0 0
88228 1 0 0 0 0
89229 1 0 0 0 0
89230 1 0 0 0 0
89231 1 0 0 0 0
90232 1 6 0 0 0
91233 1 0 0 0 0
91234 1 0 0 0 0
91235 1 0 0 0 0
92236 1 0 0 0 0
92237 1 0 0 0 0
92238 1 0 0 0 0
95239 1 0 0 0 0
96240 1 6 0 0 0
99241 1 0 0 0 0
100242 1 6 0 0 0
101243 1 0 0 0 0
101244 1 0 0 0 0
101245 1 0 0 0 0
104246 1 0 0 0 0
105247 1 1 0 0 0
106248 1 1 0 0 0
107249 1 0 0 0 0
107250 1 0 0 0 0
107251 1 0 0 0 0
108252 1 0 0 0 0
108253 1 0 0 0 0
111254 1 0 0 0 0
112255 1 1 0 0 0
113256 1 6 0 0 0
114257 1 0 0 0 0
114258 1 0 0 0 0
114259 1 0 0 0 0
115260 1 0 0 0 0
115261 1 0 0 0 0
118262 1 0 0 0 0
119263 1 1 0 0 0
120264 1 0 0 0 0
120265 1 0 0 0 0
122266 1 0 0 0 0
123267 1 0 0 0 0
124268 1 0 0 0 0
125269 1 0 0 0 0
126270 1 0 0 0 0
130271 1 6 0 0 0
131272 1 0 0 0 0
131273 1 0 0 0 0
131274 1 0 0 0 0
M END
3D MOL for NP0023059 (Fuscopeptin B)
RDKit 3D
274276 0 0 0 0 0 0 0 0999 V2000
1.2577 -1.9658 1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2352 -2.1595 1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 -1.3594 2.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1358 -0.3308 3.3236 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4195 1.0066 3.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4614 1.2632 2.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2988 2.1767 3.7007 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1934 3.2105 2.7244 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3809 4.6063 2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7269 5.1872 3.8281 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1508 5.3399 1.5037 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2925 6.7526 1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 5.4323 0.8221 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4960 5.3028 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3580 5.2120 -1.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7447 5.2291 -1.3830 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3014 4.4809 -2.6176 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5895 3.2956 -2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3612 2.8895 -1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0333 2.4180 -3.4407 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8133 1.0734 -3.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3461 2.0970 -3.1486 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 0.9772 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1878 0.0249 -2.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3596 0.8473 -2.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9823 1.9237 -3.1520 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8012 1.7876 -4.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1554 0.7309 -4.9035 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2160 2.6483 -5.6625 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8039 1.8763 -6.8979 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4451 1.7780 -7.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 2.3921 -6.3275 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 1.0031 -8.2003 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4349 -0.4084 -8.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5807 0.8340 -7.8600 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 0.8024 -8.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7403 0.9448 -9.8751 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0289 0.5896 -7.9162 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3659 -0.9098 -8.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1149 1.3711 -8.4295 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6770 2.3292 -7.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2081 2.4572 -6.3950 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 3.1730 -7.9953 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4765 4.0076 -9.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1384 4.0360 -6.8372 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5796 3.3974 -5.6627 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7107 2.1320 -5.6724 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8854 4.1663 -4.4062 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6121 5.6217 -4.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2719 3.5055 -3.2725 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9324 2.5123 -2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0853 2.1393 -2.8399 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2628 1.8408 -1.3638 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8921 2.4272 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3712 1.9212 1.1598 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5158 0.4583 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9294 2.3158 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6646 0.4309 -1.4945 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6319 -0.5800 -1.5102 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4562 -0.2448 -1.3974 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0145 -2.0371 -1.6647 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6990 -2.1820 -3.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6292 -2.7657 -3.9576 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3486 -2.4887 -3.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8714 -2.8579 -1.8112 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2201 -3.7706 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0420 -4.1372 -1.4618 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5470 -4.3814 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6968 -5.1555 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 -5.4971 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8306 -4.1703 0.8685 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1013 -4.2099 2.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2172 -4.4136 3.0862 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4828 -4.0056 2.7349 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4798 -3.7807 4.2386 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7426 -2.6122 4.5159 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8424 -3.6473 4.7744 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7391 -4.8168 4.6693 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4706 -6.0141 5.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2699 -6.8399 5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1145 -7.4858 3.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8349 -8.2783 3.8369 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6943 -9.3885 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6059 3.0445 -5.7809 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1421 3.8351 -4.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7699 3.8890 -7.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3099 6.4891 -1.7498 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3929 7.3720 -2.5913 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 7.3337 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 1.8899 4.0379 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8934 0.8868 5.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5325 3.0969 4.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 -1.4295 2.7958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8917 -0.5831 3.6023 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1540 -2.3541 2.1054 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5823 -2.5231 2.1417 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1455 -2.8823 3.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6633 -2.2886 4.4858 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1737 -3.8290 3.6856 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4162 -3.9476 2.9906 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3960 -4.8550 3.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2702 -4.5826 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4418 -5.5184 1.5191 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0362 -4.1769 0.5409 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.3468 -3.5935 0.6272 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.3753 -4.5922 0.1384 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.1672 -5.0129 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7313 -4.1108 0.3269 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4544 -2.3413 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9567 -2.4048 -1.3411 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0152 -1.1420 0.2264 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.6609 -0.3381 1.4233 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.9767 0.2875 1.9130 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.9812 -0.8040 2.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8402 1.1060 3.0693 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7886 0.7677 0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4152 1.5729 0.1663 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4500 1.0552 1.2314 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7839 1.5995 2.3614 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2735 1.1837 3.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5084 1.9255 4.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3038 1.5003 5.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6993 2.2709 6.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2786 3.4630 6.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4833 3.8683 6.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0902 3.0992 5.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3246 1.1115 2.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5037 2.0357 2.0431 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0429 -0.2075 2.3167 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2830 -1.2956 1.5137 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7219 -1.1890 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7434 -2.6736 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 -2.2261 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5009 -0.9012 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 -2.9483 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6278 -0.7030 3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1890 2.5364 4.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0596 2.8370 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 4.8780 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 6.8577 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 7.4493 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0482 6.9038 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3178 5.5540 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4227 4.5371 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5527 4.8826 -3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1988 2.7759 -4.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 1.1835 -3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9627 0.8476 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1662 0.3055 -3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0249 2.8639 -3.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6264 -0.1370 -2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 0.9652 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4775 2.6562 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 3.5264 -5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5254 1.4831 -7.4992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9196 1.4185 -9.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -0.2577 -7.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3273 -0.8079 -9.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -1.0514 -7.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 0.7148 -6.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8562 0.8130 -6.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9356 -1.4557 -7.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9103 -1.2786 -8.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4747 -1.0198 -7.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4669 1.2612 -9.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6414 2.4192 -8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3690 3.4072 -10.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4855 4.5013 -9.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2313 4.8173 -9.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0194 5.0539 -6.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0212 4.0334 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 6.1058 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5221 5.8000 -4.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8575 6.1348 -3.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2829 3.8143 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1829 1.9108 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9948 2.1772 -0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8800 3.5409 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9857 2.4537 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8535 0.2964 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5394 -0.0682 1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2905 -0.0467 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8580 2.5595 2.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6329 3.2462 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2166 1.4858 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6383 0.1137 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7404 -2.2797 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5306 -2.8940 -2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0968 -1.2410 -3.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6152 -2.3270 -4.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7701 -3.8603 -3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5149 -3.1434 -3.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0295 -1.4630 -3.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9966 -5.6363 1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3334 -6.0669 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 -4.5550 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -6.0589 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6809 -4.0171 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1730 -4.7796 2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8939 -3.0254 2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9231 -4.5914 4.7556 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8460 -2.8241 4.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3452 -2.7263 4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7902 -3.3031 5.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8359 -5.1621 3.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7904 -4.4716 4.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5962 -5.7723 6.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3661 -6.7168 5.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4893 -7.7664 6.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3297 -6.4811 5.7716 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1692 -6.8004 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9821 -8.2228 3.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8044 -8.6898 2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9511 -7.5838 3.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6165 -9.7249 4.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9475 -9.0640 5.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2960 -10.2790 4.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2739 2.1532 -5.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2908 4.3167 -4.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8105 4.6145 -5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7445 3.1919 -3.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3075 3.3281 -7.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3846 4.7831 -6.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7572 4.2213 -7.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 6.3547 -2.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1630 6.8576 -3.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5079 7.7123 -2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 8.2712 -2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8241 7.4369 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 8.3440 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5778 6.8936 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2314 1.4364 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5391 0.0650 4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 1.3868 6.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9572 0.6108 5.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 3.7547 3.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1559 3.6057 5.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5732 2.6772 4.7331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6273 -3.0383 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7994 -3.3728 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0016 -4.5363 4.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9699 -3.0068 2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0755 -5.3419 3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9081 -4.2370 4.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8363 -5.6537 4.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6072 -4.3146 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5783 -3.3990 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2740 -5.5217 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6156 -6.0386 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7369 -4.3832 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1023 -5.1130 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9179 -3.2151 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4210 -4.7884 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7835 -0.7088 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2760 -0.9690 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3589 0.9267 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3887 -1.7262 2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6168 -0.9527 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5789 -0.5236 3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5291 0.5350 3.8878 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7764 1.5165 3.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7581 0.8480 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8119 2.7007 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3224 1.4681 3.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1051 0.1083 3.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8884 0.5852 4.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 1.9372 6.6765 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7588 4.0324 7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9566 4.7836 6.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0496 3.4271 4.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3604 -1.5488 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4886 -0.8981 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2562 -2.1685 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8856 -0.4539 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
11 13 1 0
13 14 1 0
14 15 2 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
20 22 1 0
22 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
27 28 2 0
27 29 1 0
29 30 1 0
30 31 1 0
31 32 2 0
31 33 1 0
33 34 1 0
33 35 1 0
35 36 1 0
36 37 2 0
36 38 1 0
38 39 1 0
38 40 1 0
40 41 1 0
41 42 2 0
41 43 1 0
43 44 1 0
43 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
48 50 1 0
50 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
55 57 1 0
53 58 1 0
58 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
66 67 2 0
66 68 1 0
68 69 2 0
69 70 1 0
68 71 1 0
71 72 1 0
72 73 2 0
72 74 1 0
74 75 1 0
75 76 1 0
75 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
82 83 1 0
29 84 1 0
84 85 1 0
84 86 1 0
16 87 1 0
87 88 1 0
87 89 1 0
7 90 1 0
90 91 1 0
90 92 1 0
3 93 1 0
93 94 2 0
93 95 1 0
95 96 1 0
96 97 1 0
97 98 2 0
97 99 1 0
99100 1 0
100101 1 0
100102 1 0
102103 2 0
102104 1 0
104105 1 0
105106 1 0
106107 1 0
106108 1 0
105109 1 0
109110 2 0
109111 1 0
111112 1 0
112113 1 0
113114 1 0
113115 1 0
112116 1 0
116117 2 0
116118 1 0
118119 1 0
119120 1 0
120121 1 0
121122 2 0
122123 1 0
123124 2 0
124125 1 0
125126 2 0
119127 1 0
127128 2 0
127129 1 0
129130 1 0
130131 1 0
65 61 1 0
130 96 1 0
126121 1 0
1132 1 0
1133 1 0
1134 1 0
2135 1 0
4136 1 0
7137 1 1
8138 1 0
11139 1 6
12140 1 0
12141 1 0
12142 1 0
13143 1 0
16144 1 1
17145 1 0
20146 1 6
21147 1 0
21148 1 0
21149 1 0
22150 1 0
25151 1 0
25152 1 0
26153 1 0
29154 1 1
30155 1 0
33156 1 6
34157 1 0
34158 1 0
34159 1 0
35160 1 0
38161 1 1
39162 1 0
39163 1 0
39164 1 0
40165 1 0
43166 1 6
44167 1 0
44168 1 0
44169 1 0
45170 1 0
48171 1 1
49172 1 0
49173 1 0
49174 1 0
50175 1 0
53176 1 1
54177 1 0
54178 1 0
55179 1 1
56180 1 0
56181 1 0
56182 1 0
57183 1 0
57184 1 0
57185 1 0
58186 1 0
61187 1 1
62188 1 0
62189 1 0
63190 1 0
63191 1 0
64192 1 0
64193 1 0
69194 1 0
70195 1 0
70196 1 0
70197 1 0
71198 1 0
74199 1 0
74200 1 0
75201 1 1
76202 1 0
77203 1 0
77204 1 0
78205 1 0
78206 1 0
79207 1 0
79208 1 0
80209 1 0
80210 1 0
81211 1 0
81212 1 0
82213 1 0
82214 1 0
83215 1 0
83216 1 0
83217 1 0
84218 1 6
85219 1 0
85220 1 0
85221 1 0
86222 1 0
86223 1 0
86224 1 0
87225 1 6
88226 1 0
88227 1 0
88228 1 0
89229 1 0
89230 1 0
89231 1 0
90232 1 6
91233 1 0
91234 1 0
91235 1 0
92236 1 0
92237 1 0
92238 1 0
95239 1 0
96240 1 6
99241 1 0
100242 1 6
101243 1 0
101244 1 0
101245 1 0
104246 1 0
105247 1 1
106248 1 1
107249 1 0
107250 1 0
107251 1 0
108252 1 0
108253 1 0
111254 1 0
112255 1 1
113256 1 6
114257 1 0
114258 1 0
114259 1 0
115260 1 0
115261 1 0
118262 1 0
119263 1 1
120264 1 0
120265 1 0
122266 1 0
123267 1 0
124268 1 0
125269 1 0
126270 1 0
130271 1 6
131272 1 0
131273 1 0
131274 1 0
M END
3D SDF for NP0023059 (Fuscopeptin B)
Mrv1652307042108133D
274276 0 0 0 0 999 V2000
1.2577 -1.9658 1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2352 -2.1595 1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 -1.3594 2.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1358 -0.3308 3.3236 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4195 1.0066 3.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4614 1.2632 2.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2988 2.1767 3.7007 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1934 3.2105 2.7244 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3809 4.6063 2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7269 5.1872 3.8281 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1508 5.3399 1.5037 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2925 6.7526 1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 5.4323 0.8221 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4960 5.3028 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3580 5.2120 -1.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7447 5.2291 -1.3830 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3014 4.4809 -2.6176 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5895 3.2956 -2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3612 2.8895 -1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0333 2.4180 -3.4407 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8133 1.0734 -3.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3461 2.0970 -3.1486 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 0.9772 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1878 0.0249 -2.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3596 0.8473 -2.3362 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9823 1.9237 -3.1520 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8012 1.7876 -4.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1554 0.7309 -4.9035 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2160 2.6483 -5.6625 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8039 1.8763 -6.8979 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4451 1.7780 -7.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 2.3921 -6.3275 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 1.0031 -8.2003 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4349 -0.4084 -8.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5807 0.8340 -7.8600 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 0.8024 -8.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7403 0.9448 -9.8751 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0289 0.5896 -7.9162 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3659 -0.9098 -8.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1149 1.3711 -8.4295 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6770 2.3292 -7.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2081 2.4572 -6.3950 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 3.1730 -7.9953 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4765 4.0076 -9.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1384 4.0360 -6.8372 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5796 3.3974 -5.6627 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7107 2.1320 -5.6724 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8854 4.1663 -4.4062 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6121 5.6217 -4.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2719 3.5055 -3.2725 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9324 2.5123 -2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0853 2.1393 -2.8399 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2628 1.8408 -1.3638 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8921 2.4272 -0.1439 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3712 1.9212 1.1598 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5158 0.4583 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9294 2.3158 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6646 0.4309 -1.4945 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6319 -0.5800 -1.5102 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4562 -0.2448 -1.3974 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0145 -2.0371 -1.6647 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6990 -2.1820 -3.0469 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6292 -2.7657 -3.9576 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3486 -2.4887 -3.1565 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8714 -2.8579 -1.8112 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2201 -3.7706 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0420 -4.1372 -1.4618 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5470 -4.3814 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6968 -5.1555 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 -5.4971 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8306 -4.1703 0.8685 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1013 -4.2099 2.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2172 -4.4136 3.0862 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4828 -4.0056 2.7349 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4798 -3.7807 4.2386 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7426 -2.6122 4.5159 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8424 -3.6473 4.7744 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7391 -4.8168 4.6693 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4706 -6.0141 5.4626 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2699 -6.8399 5.3200 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1145 -7.4858 3.9807 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8349 -8.2783 3.8369 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6943 -9.3885 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6059 3.0445 -5.7809 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1421 3.8351 -4.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7699 3.8890 -7.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3099 6.4891 -1.7498 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3929 7.3720 -2.5913 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 7.3337 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 1.8899 4.0379 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8934 0.8868 5.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5325 3.0969 4.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 -1.4295 2.7958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8917 -0.5831 3.6023 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1540 -2.3541 2.1054 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5823 -2.5231 2.1417 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1455 -2.8823 3.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6633 -2.2886 4.4858 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1737 -3.8290 3.6856 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4162 -3.9476 2.9906 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3960 -4.8550 3.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2702 -4.5826 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4418 -5.5184 1.5191 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0362 -4.1769 0.5409 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.3468 -3.5935 0.6272 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.3753 -4.5922 0.1384 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.1672 -5.0129 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7313 -4.1108 0.3269 N 0 0 1 0 0 0 0 0 0 0 0 0
-9.4544 -2.3413 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9567 -2.4048 -1.3411 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0152 -1.1420 0.2264 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.6609 -0.3381 1.4233 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.9767 0.2875 1.9130 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.9812 -0.8040 2.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8402 1.1060 3.0693 N 0 0 2 0 0 0 0 0 0 0 0 0
-8.7886 0.7677 0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4152 1.5729 0.1663 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4500 1.0552 1.2314 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7839 1.5995 2.3614 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2735 1.1837 3.7214 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5084 1.9255 4.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3038 1.5003 5.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6993 2.2709 6.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2786 3.4630 6.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4833 3.8683 6.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0902 3.0992 5.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3246 1.1115 2.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5037 2.0357 2.0431 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0429 -0.2075 2.3167 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2830 -1.2956 1.5137 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7219 -1.1890 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7434 -2.6736 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 -2.2261 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5009 -0.9012 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 -2.9483 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6278 -0.7030 3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1890 2.5364 4.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0596 2.8370 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 4.8780 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 6.8577 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 7.4493 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0482 6.9038 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3178 5.5540 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4227 4.5371 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5527 4.8826 -3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1988 2.7759 -4.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 1.1835 -3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9627 0.8476 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1662 0.3055 -3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0249 2.8639 -3.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6264 -0.1370 -2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 0.9652 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4775 2.6562 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 3.5264 -5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5254 1.4831 -7.4992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9196 1.4185 -9.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -0.2577 -7.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3273 -0.8079 -9.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -1.0514 -7.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 0.7148 -6.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8562 0.8130 -6.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9356 -1.4557 -7.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9103 -1.2786 -8.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4747 -1.0198 -7.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4669 1.2612 -9.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6414 2.4192 -8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3690 3.4072 -10.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4855 4.5013 -9.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2313 4.8173 -9.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0194 5.0539 -6.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0212 4.0334 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 6.1058 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5221 5.8000 -4.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8575 6.1348 -3.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2829 3.8143 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1829 1.9108 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9948 2.1772 -0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8800 3.5409 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9857 2.4537 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8535 0.2964 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5394 -0.0682 1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2905 -0.0467 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8580 2.5595 2.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6329 3.2462 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2166 1.4858 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6383 0.1137 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7404 -2.2797 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5306 -2.8940 -2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0968 -1.2410 -3.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6152 -2.3270 -4.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7701 -3.8603 -3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5149 -3.1434 -3.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0295 -1.4630 -3.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9966 -5.6363 1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3334 -6.0669 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 -4.5550 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -6.0589 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6809 -4.0171 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1730 -4.7796 2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8939 -3.0254 2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9231 -4.5914 4.7556 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8460 -2.8241 4.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3452 -2.7263 4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7902 -3.3031 5.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8359 -5.1621 3.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7904 -4.4716 4.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5962 -5.7723 6.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3661 -6.7168 5.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4893 -7.7664 6.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3297 -6.4811 5.7716 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1692 -6.8004 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9821 -8.2228 3.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8044 -8.6898 2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9511 -7.5838 3.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6165 -9.7249 4.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9475 -9.0640 5.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2960 -10.2790 4.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2739 2.1532 -5.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2908 4.3167 -4.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8105 4.6145 -5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7445 3.1919 -3.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3075 3.3281 -7.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3846 4.7831 -6.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7572 4.2213 -7.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 6.3547 -2.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1630 6.8576 -3.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5079 7.7123 -2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 8.2712 -2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8241 7.4369 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 8.3440 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5778 6.8936 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2314 1.4364 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5391 0.0650 4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 1.3868 6.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9572 0.6108 5.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 3.7547 3.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1559 3.6057 5.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5732 2.6772 4.7331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6273 -3.0383 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7994 -3.3728 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0016 -4.5363 4.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9699 -3.0068 2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0755 -5.3419 3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9081 -4.2370 4.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8363 -5.6537 4.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6072 -4.3146 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5783 -3.3990 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2740 -5.5217 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6156 -6.0386 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7369 -4.3832 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1023 -5.1130 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9179 -3.2151 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4210 -4.7884 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7835 -0.7088 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2760 -0.9690 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3589 0.9267 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3887 -1.7262 2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6168 -0.9527 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5789 -0.5236 3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5291 0.5350 3.8878 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7764 1.5165 3.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7581 0.8480 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8119 2.7007 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3224 1.4681 3.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1051 0.1083 3.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8884 0.5852 4.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 1.9372 6.6765 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7588 4.0324 7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9566 4.7836 6.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0496 3.4271 4.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3604 -1.5488 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4886 -0.8981 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2562 -2.1685 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8856 -0.4539 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
53 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
68 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
72 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
29 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 1 0 0 0 0
16 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 1 0 0 0 0
7 90 1 0 0 0 0
90 91 1 0 0 0 0
90 92 1 0 0 0 0
3 93 1 0 0 0 0
93 94 2 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 2 0 0 0 0
97 99 1 0 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
100102 1 0 0 0 0
102103 2 0 0 0 0
102104 1 0 0 0 0
104105 1 0 0 0 0
105106 1 0 0 0 0
106107 1 0 0 0 0
106108 1 0 0 0 0
105109 1 0 0 0 0
109110 2 0 0 0 0
109111 1 0 0 0 0
111112 1 0 0 0 0
112113 1 0 0 0 0
113114 1 0 0 0 0
113115 1 0 0 0 0
112116 1 0 0 0 0
116117 2 0 0 0 0
116118 1 0 0 0 0
118119 1 0 0 0 0
119120 1 0 0 0 0
120121 1 0 0 0 0
121122 2 0 0 0 0
122123 1 0 0 0 0
123124 2 0 0 0 0
124125 1 0 0 0 0
125126 2 0 0 0 0
119127 1 0 0 0 0
127128 2 0 0 0 0
127129 1 0 0 0 0
129130 1 0 0 0 0
130131 1 0 0 0 0
65 61 1 0 0 0 0
130 96 1 0 0 0 0
126121 1 0 0 0 0
1132 1 0 0 0 0
1133 1 0 0 0 0
1134 1 0 0 0 0
2135 1 0 0 0 0
4136 1 0 0 0 0
7137 1 1 0 0 0
8138 1 0 0 0 0
11139 1 6 0 0 0
12140 1 0 0 0 0
12141 1 0 0 0 0
12142 1 0 0 0 0
13143 1 0 0 0 0
16144 1 1 0 0 0
17145 1 0 0 0 0
20146 1 6 0 0 0
21147 1 0 0 0 0
21148 1 0 0 0 0
21149 1 0 0 0 0
22150 1 0 0 0 0
25151 1 0 0 0 0
25152 1 0 0 0 0
26153 1 0 0 0 0
29154 1 1 0 0 0
30155 1 0 0 0 0
33156 1 6 0 0 0
34157 1 0 0 0 0
34158 1 0 0 0 0
34159 1 0 0 0 0
35160 1 0 0 0 0
38161 1 1 0 0 0
39162 1 0 0 0 0
39163 1 0 0 0 0
39164 1 0 0 0 0
40165 1 0 0 0 0
43166 1 6 0 0 0
44167 1 0 0 0 0
44168 1 0 0 0 0
44169 1 0 0 0 0
45170 1 0 0 0 0
48171 1 1 0 0 0
49172 1 0 0 0 0
49173 1 0 0 0 0
49174 1 0 0 0 0
50175 1 0 0 0 0
53176 1 1 0 0 0
54177 1 0 0 0 0
54178 1 0 0 0 0
55179 1 1 0 0 0
56180 1 0 0 0 0
56181 1 0 0 0 0
56182 1 0 0 0 0
57183 1 0 0 0 0
57184 1 0 0 0 0
57185 1 0 0 0 0
58186 1 0 0 0 0
61187 1 1 0 0 0
62188 1 0 0 0 0
62189 1 0 0 0 0
63190 1 0 0 0 0
63191 1 0 0 0 0
64192 1 0 0 0 0
64193 1 0 0 0 0
69194 1 0 0 0 0
70195 1 0 0 0 0
70196 1 0 0 0 0
70197 1 0 0 0 0
71198 1 0 0 0 0
74199 1 0 0 0 0
74200 1 0 0 0 0
75201 1 1 0 0 0
76202 1 0 0 0 0
77203 1 0 0 0 0
77204 1 0 0 0 0
78205 1 0 0 0 0
78206 1 0 0 0 0
79207 1 0 0 0 0
79208 1 0 0 0 0
80209 1 0 0 0 0
80210 1 0 0 0 0
81211 1 0 0 0 0
81212 1 0 0 0 0
82213 1 0 0 0 0
82214 1 0 0 0 0
83215 1 0 0 0 0
83216 1 0 0 0 0
83217 1 0 0 0 0
84218 1 6 0 0 0
85219 1 0 0 0 0
85220 1 0 0 0 0
85221 1 0 0 0 0
86222 1 0 0 0 0
86223 1 0 0 0 0
86224 1 0 0 0 0
87225 1 6 0 0 0
88226 1 0 0 0 0
88227 1 0 0 0 0
88228 1 0 0 0 0
89229 1 0 0 0 0
89230 1 0 0 0 0
89231 1 0 0 0 0
90232 1 6 0 0 0
91233 1 0 0 0 0
91234 1 0 0 0 0
91235 1 0 0 0 0
92236 1 0 0 0 0
92237 1 0 0 0 0
92238 1 0 0 0 0
95239 1 0 0 0 0
96240 1 6 0 0 0
99241 1 0 0 0 0
100242 1 6 0 0 0
101243 1 0 0 0 0
101244 1 0 0 0 0
101245 1 0 0 0 0
104246 1 0 0 0 0
105247 1 1 0 0 0
106248 1 1 0 0 0
107249 1 0 0 0 0
107250 1 0 0 0 0
107251 1 0 0 0 0
108252 1 0 0 0 0
108253 1 0 0 0 0
111254 1 0 0 0 0
112255 1 1 0 0 0
113256 1 6 0 0 0
114257 1 0 0 0 0
114258 1 0 0 0 0
114259 1 0 0 0 0
115260 1 0 0 0 0
115261 1 0 0 0 0
118262 1 0 0 0 0
119263 1 1 0 0 0
120264 1 0 0 0 0
120265 1 0 0 0 0
122266 1 0 0 0 0
123267 1 0 0 0 0
124268 1 0 0 0 0
125269 1 0 0 0 0
126270 1 0 0 0 0
130271 1 6 0 0 0
131272 1 0 0 0 0
131273 1 0 0 0 0
131274 1 0 0 0 0
M END
> <DATABASE_ID>
NP0023059
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@@]([H])(C([H])([H])C(=O)N([H])C(=C(/[H])C([H])([H])[H])\C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])C(=C(\[H])C([H])([H])[H])\C(=O)N([H])[C@@]1([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[C@@]1([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]([H])(N([H])[H])C([H])([H])[H])[C@@]([H])(N([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C88H143N21O22/c1-22-25-26-27-31-35-57(110)40-63(111)99-59(24-3)87(129)109-37-32-36-62(109)80(122)101-60(38-42(4)5)79(121)96-51(17)73(115)94-49(15)71(113)93-50(16)72(114)95-52(18)75(117)103-65(43(6)7)81(123)91-41-64(112)92-48(14)74(116)104-66(44(8)9)82(124)97-53(19)76(118)105-67(45(10)11)83(125)100-58(23-2)78(120)108-70-55(21)131-88(130)61(39-56-33-29-28-30-34-56)102-84(126)68(46(12)89)107-85(127)69(47(13)90)106-77(119)54(20)98-86(70)128/h23-24,28-30,33-34,42-55,57,60-62,65-70,110H,22,25-27,31-32,35-41,89-90H2,1-21H3,(H,91,123)(H,92,112)(H,93,113)(H,94,115)(H,95,114)(H,96,121)(H,97,124)(H,98,128)(H,99,111)(H,100,125)(H,101,122)(H,102,126)(H,103,117)(H,104,116)(H,105,118)(H,106,119)(H,107,127)(H,108,120)/b58-23-,59-24+/t46-,47+,48-,49-,50-,51-,52+,53-,54-,55+,57-,60+,61+,62+,65+,66+,67-,68-,69-,70-/m1/s1
> <INCHI_KEY>
DIHOLNUONFKUJS-VAKZLOQXSA-N
> <FORMULA>
C88H143N21O22
> <MOLECULAR_WEIGHT>
1847.237
> <EXACT_MASS>
1846.071655329
> <JCHEM_ACCEPTOR_COUNT>
23
> <JCHEM_ATOM_COUNT>
274
> <JCHEM_AVERAGE_POLARIZABILITY>
195.3698929284084
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
21
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3R)-N-[(2E)-1-[(2S)-2-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-[({[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1Z)-1-{[(3S,6R,9R,12R,15R,16S)-6-[(1R)-1-aminoethyl]-9-[(1S)-1-aminoethyl]-3-benzyl-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}prop-1-en-1-yl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydecanamide
> <JCHEM_LOGP>
-3.3140649806666658
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
2
> <JCHEM_PKA>
10.838847164514975
> <JCHEM_PKA_STRONGEST_ACIDIC>
10.354564641296795
> <JCHEM_PKA_STRONGEST_BASIC>
8.619074846923489
> <JCHEM_POLAR_SURFACE_AREA>
642.6799999999998
> <JCHEM_REFRACTIVITY>
478.01359999999994
> <JCHEM_ROTATABLE_BOND_COUNT>
45
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(3R)-N-[(2E)-1-[(2S)-2-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-[({[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1Z)-1-{[(3S,6R,9R,12R,15R,16S)-6-[(1R)-1-aminoethyl]-9-[(1S)-1-aminoethyl]-3-benzyl-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}prop-1-en-1-yl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydecanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0023059 (Fuscopeptin B)
RDKit 3D
274276 0 0 0 0 0 0 0 0999 V2000
1.2577 -1.9658 1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2352 -2.1595 1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 -1.3594 2.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1358 -0.3308 3.3236 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4195 1.0066 3.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4614 1.2632 2.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2988 2.1767 3.7007 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1934 3.2105 2.7244 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3809 4.6063 2.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7269 5.1872 3.8281 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1508 5.3399 1.5037 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2925 6.7526 1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 5.4323 0.8221 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4960 5.3028 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3580 5.2120 -1.1646 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7447 5.2291 -1.3830 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3014 4.4809 -2.6176 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5895 3.2956 -2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3612 2.8895 -1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0333 2.4180 -3.4407 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8133 1.0734 -3.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3461 2.0970 -3.1486 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 0.9772 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1878 0.0249 -2.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3596 0.8473 -2.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9823 1.9237 -3.1520 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8012 1.7876 -4.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1554 0.7309 -4.9035 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2160 2.6483 -5.6625 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8039 1.8763 -6.8979 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4451 1.7780 -7.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 2.3921 -6.3275 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 1.0031 -8.2003 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4349 -0.4084 -8.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5807 0.8340 -7.8600 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 0.8024 -8.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7403 0.9448 -9.8751 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0289 0.5896 -7.9162 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3659 -0.9098 -8.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1149 1.3711 -8.4295 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6770 2.3292 -7.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2081 2.4572 -6.3950 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 3.1730 -7.9953 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4765 4.0076 -9.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1384 4.0360 -6.8372 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5796 3.3974 -5.6627 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7107 2.1320 -5.6724 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8854 4.1663 -4.4062 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6121 5.6217 -4.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2719 3.5055 -3.2725 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9324 2.5123 -2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0853 2.1393 -2.8399 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2628 1.8408 -1.3638 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8921 2.4272 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3712 1.9212 1.1598 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5158 0.4583 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9294 2.3158 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6646 0.4309 -1.4945 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6319 -0.5800 -1.5102 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4562 -0.2448 -1.3974 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0145 -2.0371 -1.6647 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6990 -2.1820 -3.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6292 -2.7657 -3.9576 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3486 -2.4887 -3.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8714 -2.8579 -1.8112 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2201 -3.7706 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0420 -4.1372 -1.4618 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5470 -4.3814 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6968 -5.1555 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3244 -5.4971 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8306 -4.1703 0.8685 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1013 -4.2099 2.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2172 -4.4136 3.0862 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4828 -4.0056 2.7349 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4798 -3.7807 4.2386 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7426 -2.6122 4.5159 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8424 -3.6473 4.7744 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7391 -4.8168 4.6693 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4706 -6.0141 5.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2699 -6.8399 5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1145 -7.4858 3.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8349 -8.2783 3.8369 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6943 -9.3885 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6059 3.0445 -5.7809 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1421 3.8351 -4.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7699 3.8890 -7.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3099 6.4891 -1.7498 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3929 7.3720 -2.5913 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 7.3337 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 1.8899 4.0379 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8934 0.8868 5.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5325 3.0969 4.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 -1.4295 2.7958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8917 -0.5831 3.6023 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1540 -2.3541 2.1054 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5823 -2.5231 2.1417 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1455 -2.8823 3.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6633 -2.2886 4.4858 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1737 -3.8290 3.6856 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4162 -3.9476 2.9906 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3960 -4.8550 3.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2702 -4.5826 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4418 -5.5184 1.5191 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0362 -4.1769 0.5409 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.3468 -3.5935 0.6272 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.3753 -4.5922 0.1384 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.1672 -5.0129 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7313 -4.1108 0.3269 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4544 -2.3413 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9567 -2.4048 -1.3411 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0152 -1.1420 0.2264 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.6609 -0.3381 1.4233 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.9767 0.2875 1.9130 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.9812 -0.8040 2.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8402 1.1060 3.0693 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7886 0.7677 0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4152 1.5729 0.1663 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4500 1.0552 1.2314 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7839 1.5995 2.3614 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2735 1.1837 3.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5084 1.9255 4.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3038 1.5003 5.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6993 2.2709 6.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2786 3.4630 6.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4833 3.8683 6.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0902 3.0992 5.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3246 1.1115 2.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5037 2.0357 2.0431 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0429 -0.2075 2.3167 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2830 -1.2956 1.5137 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7219 -1.1890 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7434 -2.6736 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 -2.2261 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5009 -0.9012 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 -2.9483 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6278 -0.7030 3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1890 2.5364 4.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0596 2.8370 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 4.8780 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 6.8577 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 7.4493 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0482 6.9038 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3178 5.5540 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4227 4.5371 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5527 4.8826 -3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1988 2.7759 -4.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 1.1835 -3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9627 0.8476 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1662 0.3055 -3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0249 2.8639 -3.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6264 -0.1370 -2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 0.9652 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4775 2.6562 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 3.5264 -5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5254 1.4831 -7.4992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9196 1.4185 -9.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -0.2577 -7.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3273 -0.8079 -9.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -1.0514 -7.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7282 0.7148 -6.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8562 0.8130 -6.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9356 -1.4557 -7.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9103 -1.2786 -8.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4747 -1.0198 -7.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4669 1.2612 -9.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6414 2.4192 -8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3690 3.4072 -10.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4855 4.5013 -9.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2313 4.8173 -9.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0194 5.0539 -6.8879 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0212 4.0334 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 6.1058 -5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5221 5.8000 -4.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8575 6.1348 -3.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2829 3.8143 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1829 1.9108 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9948 2.1772 -0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8800 3.5409 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9857 2.4537 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8535 0.2964 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5394 -0.0682 1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2905 -0.0467 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8580 2.5595 2.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6329 3.2462 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2166 1.4858 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6383 0.1137 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7404 -2.2797 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5306 -2.8940 -2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0968 -1.2410 -3.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6152 -2.3270 -4.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7701 -3.8603 -3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5149 -3.1434 -3.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0295 -1.4630 -3.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9966 -5.6363 1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3334 -6.0669 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 -4.5550 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -6.0589 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6809 -4.0171 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1730 -4.7796 2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8939 -3.0254 2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9231 -4.5914 4.7556 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8460 -2.8241 4.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3452 -2.7263 4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7902 -3.3031 5.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8359 -5.1621 3.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7904 -4.4716 4.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5962 -5.7723 6.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3661 -6.7168 5.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4893 -7.7664 6.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3297 -6.4811 5.7716 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1692 -6.8004 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9821 -8.2228 3.8498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8044 -8.6898 2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9511 -7.5838 3.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6165 -9.7249 4.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9475 -9.0640 5.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2960 -10.2790 4.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2739 2.1532 -5.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2908 4.3167 -4.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8105 4.6145 -5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7445 3.1919 -3.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3075 3.3281 -7.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3846 4.7831 -6.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7572 4.2213 -7.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2535 6.3547 -2.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1630 6.8576 -3.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5079 7.7123 -2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 8.2712 -2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8241 7.4369 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 8.3440 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5778 6.8936 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2314 1.4364 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5391 0.0650 4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 1.3868 6.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9572 0.6108 5.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 3.7547 3.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1559 3.6057 5.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5732 2.6772 4.7331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6273 -3.0383 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7994 -3.3728 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0016 -4.5363 4.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9699 -3.0068 2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0755 -5.3419 3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9081 -4.2370 4.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8363 -5.6537 4.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6072 -4.3146 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5783 -3.3990 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2740 -5.5217 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6156 -6.0386 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7369 -4.3832 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1023 -5.1130 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9179 -3.2151 -0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4210 -4.7884 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7835 -0.7088 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2760 -0.9690 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3589 0.9267 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3887 -1.7262 2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6168 -0.9527 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5789 -0.5236 3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5291 0.5350 3.8878 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7764 1.5165 3.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7581 0.8480 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8119 2.7007 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3224 1.4681 3.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1051 0.1083 3.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8884 0.5852 4.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 1.9372 6.6765 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7588 4.0324 7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9566 4.7836 6.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0496 3.4271 4.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3604 -1.5488 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4886 -0.8981 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2562 -2.1685 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8856 -0.4539 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
11 13 1 0
13 14 1 0
14 15 2 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
20 22 1 0
22 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
27 28 2 0
27 29 1 0
29 30 1 0
30 31 1 0
31 32 2 0
31 33 1 0
33 34 1 0
33 35 1 0
35 36 1 0
36 37 2 0
36 38 1 0
38 39 1 0
38 40 1 0
40 41 1 0
41 42 2 0
41 43 1 0
43 44 1 0
43 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
48 50 1 0
50 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
55 57 1 0
53 58 1 0
58 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
66 67 2 0
66 68 1 0
68 69 2 0
69 70 1 0
68 71 1 0
71 72 1 0
72 73 2 0
72 74 1 0
74 75 1 0
75 76 1 0
75 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
82 83 1 0
29 84 1 0
84 85 1 0
84 86 1 0
16 87 1 0
87 88 1 0
87 89 1 0
7 90 1 0
90 91 1 0
90 92 1 0
3 93 1 0
93 94 2 0
93 95 1 0
95 96 1 0
96 97 1 0
97 98 2 0
97 99 1 0
99100 1 0
100101 1 0
100102 1 0
102103 2 0
102104 1 0
104105 1 0
105106 1 0
106107 1 0
106108 1 0
105109 1 0
109110 2 0
109111 1 0
111112 1 0
112113 1 0
113114 1 0
113115 1 0
112116 1 0
116117 2 0
116118 1 0
118119 1 0
119120 1 0
120121 1 0
121122 2 0
122123 1 0
123124 2 0
124125 1 0
125126 2 0
119127 1 0
127128 2 0
127129 1 0
129130 1 0
130131 1 0
65 61 1 0
130 96 1 0
126121 1 0
1132 1 0
1133 1 0
1134 1 0
2135 1 0
4136 1 0
7137 1 1
8138 1 0
11139 1 6
12140 1 0
12141 1 0
12142 1 0
13143 1 0
16144 1 1
17145 1 0
20146 1 6
21147 1 0
21148 1 0
21149 1 0
22150 1 0
25151 1 0
25152 1 0
26153 1 0
29154 1 1
30155 1 0
33156 1 6
34157 1 0
34158 1 0
34159 1 0
35160 1 0
38161 1 1
39162 1 0
39163 1 0
39164 1 0
40165 1 0
43166 1 6
44167 1 0
44168 1 0
44169 1 0
45170 1 0
48171 1 1
49172 1 0
49173 1 0
49174 1 0
50175 1 0
53176 1 1
54177 1 0
54178 1 0
55179 1 1
56180 1 0
56181 1 0
56182 1 0
57183 1 0
57184 1 0
57185 1 0
58186 1 0
61187 1 1
62188 1 0
62189 1 0
63190 1 0
63191 1 0
64192 1 0
64193 1 0
69194 1 0
70195 1 0
70196 1 0
70197 1 0
71198 1 0
74199 1 0
74200 1 0
75201 1 1
76202 1 0
77203 1 0
77204 1 0
78205 1 0
78206 1 0
79207 1 0
79208 1 0
80209 1 0
80210 1 0
81211 1 0
81212 1 0
82213 1 0
82214 1 0
83215 1 0
83216 1 0
83217 1 0
84218 1 6
85219 1 0
85220 1 0
85221 1 0
86222 1 0
86223 1 0
86224 1 0
87225 1 6
88226 1 0
88227 1 0
88228 1 0
89229 1 0
89230 1 0
89231 1 0
90232 1 6
91233 1 0
91234 1 0
91235 1 0
92236 1 0
92237 1 0
92238 1 0
95239 1 0
96240 1 6
99241 1 0
100242 1 6
101243 1 0
101244 1 0
101245 1 0
104246 1 0
105247 1 1
106248 1 1
107249 1 0
107250 1 0
107251 1 0
108252 1 0
108253 1 0
111254 1 0
112255 1 1
113256 1 6
114257 1 0
114258 1 0
114259 1 0
115260 1 0
115261 1 0
118262 1 0
119263 1 1
120264 1 0
120265 1 0
122266 1 0
123267 1 0
124268 1 0
125269 1 0
126270 1 0
130271 1 6
131272 1 0
131273 1 0
131274 1 0
M END
PDB for NP0023059 (Fuscopeptin B)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 1.258 -1.966 1.718 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.235 -2.159 1.855 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.941 -1.359 2.644 0.00 0.00 C+0 HETATM 4 N UNK 0 -0.136 -0.331 3.324 0.00 0.00 N+0 HETATM 5 C UNK 0 -0.420 1.007 3.155 0.00 0.00 C+0 HETATM 6 O UNK 0 -1.461 1.263 2.394 0.00 0.00 O+0 HETATM 7 C UNK 0 0.299 2.177 3.701 0.00 0.00 C+0 HETATM 8 N UNK 0 0.193 3.211 2.724 0.00 0.00 N+0 HETATM 9 C UNK 0 0.381 4.606 2.804 0.00 0.00 C+0 HETATM 10 O UNK 0 0.727 5.187 3.828 0.00 0.00 O+0 HETATM 11 C UNK 0 0.151 5.340 1.504 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.293 6.753 1.903 0.00 0.00 C+0 HETATM 13 N UNK 0 1.453 5.432 0.822 0.00 0.00 N+0 HETATM 14 C UNK 0 1.496 5.303 -0.568 0.00 0.00 C+0 HETATM 15 O UNK 0 0.358 5.212 -1.165 0.00 0.00 O+0 HETATM 16 C UNK 0 2.745 5.229 -1.383 0.00 0.00 C+0 HETATM 17 N UNK 0 2.301 4.481 -2.618 0.00 0.00 N+0 HETATM 18 C UNK 0 1.589 3.296 -2.436 0.00 0.00 C+0 HETATM 19 O UNK 0 1.361 2.890 -1.198 0.00 0.00 O+0 HETATM 20 C UNK 0 1.033 2.418 -3.441 0.00 0.00 C+0 HETATM 21 C UNK 0 1.813 1.073 -3.399 0.00 0.00 C+0 HETATM 22 N UNK 0 -0.346 2.097 -3.149 0.00 0.00 N+0 HETATM 23 C UNK 0 -0.853 0.977 -2.518 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.188 0.025 -2.051 0.00 0.00 O+0 HETATM 25 C UNK 0 -2.360 0.847 -2.336 0.00 0.00 C+0 HETATM 26 N UNK 0 -2.982 1.924 -3.152 0.00 0.00 N+0 HETATM 27 C UNK 0 -2.801 1.788 -4.531 0.00 0.00 C+0 HETATM 28 O UNK 0 -2.155 0.731 -4.904 0.00 0.00 O+0 HETATM 29 C UNK 0 -3.216 2.648 -5.662 0.00 0.00 C+0 HETATM 30 N UNK 0 -2.804 1.876 -6.898 0.00 0.00 N+0 HETATM 31 C UNK 0 -1.445 1.778 -7.128 0.00 0.00 C+0 HETATM 32 O UNK 0 -0.656 2.392 -6.327 0.00 0.00 O+0 HETATM 33 C UNK 0 -0.804 1.003 -8.200 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.435 -0.408 -8.242 0.00 0.00 C+0 HETATM 35 N UNK 0 0.581 0.834 -7.860 0.00 0.00 N+0 HETATM 36 C UNK 0 1.747 0.802 -8.641 0.00 0.00 C+0 HETATM 37 O UNK 0 1.740 0.945 -9.875 0.00 0.00 O+0 HETATM 38 C UNK 0 3.029 0.590 -7.916 0.00 0.00 C+0 HETATM 39 C UNK 0 3.366 -0.910 -8.001 0.00 0.00 C+0 HETATM 40 N UNK 0 4.115 1.371 -8.430 0.00 0.00 N+0 HETATM 41 C UNK 0 4.677 2.329 -7.536 0.00 0.00 C+0 HETATM 42 O UNK 0 4.208 2.457 -6.395 0.00 0.00 O+0 HETATM 43 C UNK 0 5.854 3.173 -7.995 0.00 0.00 C+0 HETATM 44 C UNK 0 5.476 4.008 -9.157 0.00 0.00 C+0 HETATM 45 N UNK 0 6.138 4.036 -6.837 0.00 0.00 N+0 HETATM 46 C UNK 0 6.580 3.397 -5.663 0.00 0.00 C+0 HETATM 47 O UNK 0 6.711 2.132 -5.672 0.00 0.00 O+0 HETATM 48 C UNK 0 6.885 4.166 -4.406 0.00 0.00 C+0 HETATM 49 C UNK 0 6.612 5.622 -4.517 0.00 0.00 C+0 HETATM 50 N UNK 0 6.272 3.506 -3.272 0.00 0.00 N+0 HETATM 51 C UNK 0 6.932 2.512 -2.546 0.00 0.00 C+0 HETATM 52 O UNK 0 8.085 2.139 -2.840 0.00 0.00 O+0 HETATM 53 C UNK 0 6.263 1.841 -1.364 0.00 0.00 C+0 HETATM 54 C UNK 0 6.892 2.427 -0.144 0.00 0.00 C+0 HETATM 55 C UNK 0 6.371 1.921 1.160 0.00 0.00 C+0 HETATM 56 C UNK 0 6.516 0.458 1.392 0.00 0.00 C+0 HETATM 57 C UNK 0 4.929 2.316 1.429 0.00 0.00 C+0 HETATM 58 N UNK 0 6.665 0.431 -1.494 0.00 0.00 N+0 HETATM 59 C UNK 0 5.632 -0.580 -1.510 0.00 0.00 C+0 HETATM 60 O UNK 0 4.456 -0.245 -1.397 0.00 0.00 O+0 HETATM 61 C UNK 0 6.014 -2.037 -1.665 0.00 0.00 C+0 HETATM 62 C UNK 0 6.699 -2.182 -3.047 0.00 0.00 C+0 HETATM 63 C UNK 0 5.629 -2.766 -3.958 0.00 0.00 C+0 HETATM 64 C UNK 0 4.349 -2.489 -3.156 0.00 0.00 C+0 HETATM 65 N UNK 0 4.871 -2.858 -1.811 0.00 0.00 N+0 HETATM 66 C UNK 0 4.220 -3.771 -0.981 0.00 0.00 C+0 HETATM 67 O UNK 0 3.042 -4.137 -1.462 0.00 0.00 O+0 HETATM 68 C UNK 0 4.547 -4.381 0.259 0.00 0.00 C+0 HETATM 69 C UNK 0 3.697 -5.155 0.884 0.00 0.00 C+0 HETATM 70 C UNK 0 2.324 -5.497 0.421 0.00 0.00 C+0 HETATM 71 N UNK 0 5.831 -4.170 0.869 0.00 0.00 N+0 HETATM 72 C UNK 0 6.101 -4.210 2.242 0.00 0.00 C+0 HETATM 73 O UNK 0 5.217 -4.414 3.086 0.00 0.00 O+0 HETATM 74 C UNK 0 7.483 -4.006 2.735 0.00 0.00 C+0 HETATM 75 C UNK 0 7.480 -3.781 4.239 0.00 0.00 C+0 HETATM 76 O UNK 0 6.743 -2.612 4.516 0.00 0.00 O+0 HETATM 77 C UNK 0 8.842 -3.647 4.774 0.00 0.00 C+0 HETATM 78 C UNK 0 9.739 -4.817 4.669 0.00 0.00 C+0 HETATM 79 C UNK 0 9.471 -6.014 5.463 0.00 0.00 C+0 HETATM 80 C UNK 0 8.270 -6.840 5.320 0.00 0.00 C+0 HETATM 81 C UNK 0 8.114 -7.486 3.981 0.00 0.00 C+0 HETATM 82 C UNK 0 6.835 -8.278 3.837 0.00 0.00 C+0 HETATM 83 C UNK 0 6.694 -9.389 4.821 0.00 0.00 C+0 HETATM 84 C UNK 0 -4.606 3.045 -5.781 0.00 0.00 C+0 HETATM 85 C UNK 0 -5.142 3.835 -4.603 0.00 0.00 C+0 HETATM 86 C UNK 0 -4.770 3.889 -7.049 0.00 0.00 C+0 HETATM 87 C UNK 0 3.310 6.489 -1.750 0.00 0.00 C+0 HETATM 88 C UNK 0 2.393 7.372 -2.591 0.00 0.00 C+0 HETATM 89 C UNK 0 3.688 7.334 -0.536 0.00 0.00 C+0 HETATM 90 C UNK 0 1.739 1.890 4.038 0.00 0.00 C+0 HETATM 91 C UNK 0 1.893 0.887 5.179 0.00 0.00 C+0 HETATM 92 C UNK 0 2.533 3.097 4.404 0.00 0.00 C+0 HETATM 93 C UNK 0 -2.372 -1.430 2.796 0.00 0.00 C+0 HETATM 94 O UNK 0 -2.892 -0.583 3.602 0.00 0.00 O+0 HETATM 95 N UNK 0 -3.154 -2.354 2.105 0.00 0.00 N+0 HETATM 96 C UNK 0 -4.582 -2.523 2.142 0.00 0.00 C+0 HETATM 97 C UNK 0 -5.146 -2.882 3.457 0.00 0.00 C+0 HETATM 98 O UNK 0 -4.663 -2.289 4.486 0.00 0.00 O+0 HETATM 99 N UNK 0 -6.174 -3.829 3.686 0.00 0.00 N+0 HETATM 100 C UNK 0 -7.416 -3.948 2.991 0.00 0.00 C+0 HETATM 101 C UNK 0 -8.396 -4.855 3.760 0.00 0.00 C+0 HETATM 102 C UNK 0 -7.270 -4.583 1.665 0.00 0.00 C+0 HETATM 103 O UNK 0 -6.442 -5.518 1.519 0.00 0.00 O+0 HETATM 104 N UNK 0 -8.036 -4.177 0.541 0.00 0.00 N+0 HETATM 105 C UNK 0 -9.347 -3.594 0.627 0.00 0.00 C+0 HETATM 106 C UNK 0 -10.375 -4.592 0.138 0.00 0.00 C+0 HETATM 107 C UNK 0 -10.167 -5.013 -1.296 0.00 0.00 C+0 HETATM 108 N UNK 0 -11.731 -4.111 0.327 0.00 0.00 N+0 HETATM 109 C UNK 0 -9.454 -2.341 -0.158 0.00 0.00 C+0 HETATM 110 O UNK 0 -8.957 -2.405 -1.341 0.00 0.00 O+0 HETATM 111 N UNK 0 -10.015 -1.142 0.226 0.00 0.00 N+0 HETATM 112 C UNK 0 -9.661 -0.338 1.423 0.00 0.00 C+0 HETATM 113 C UNK 0 -10.977 0.288 1.913 0.00 0.00 C+0 HETATM 114 C UNK 0 -11.981 -0.804 2.258 0.00 0.00 C+0 HETATM 115 N UNK 0 -10.840 1.106 3.069 0.00 0.00 N+0 HETATM 116 C UNK 0 -8.789 0.768 0.958 0.00 0.00 C+0 HETATM 117 O UNK 0 -9.415 1.573 0.166 0.00 0.00 O+0 HETATM 118 N UNK 0 -7.450 1.055 1.231 0.00 0.00 N+0 HETATM 119 C UNK 0 -6.784 1.599 2.361 0.00 0.00 C+0 HETATM 120 C UNK 0 -7.274 1.184 3.721 0.00 0.00 C+0 HETATM 121 C UNK 0 -6.508 1.926 4.782 0.00 0.00 C+0 HETATM 122 C UNK 0 -5.304 1.500 5.309 0.00 0.00 C+0 HETATM 123 C UNK 0 -4.699 2.271 6.271 0.00 0.00 C+0 HETATM 124 C UNK 0 -5.279 3.463 6.719 0.00 0.00 C+0 HETATM 125 C UNK 0 -6.483 3.868 6.179 0.00 0.00 C+0 HETATM 126 C UNK 0 -7.090 3.099 5.216 0.00 0.00 C+0 HETATM 127 C UNK 0 -5.325 1.111 2.229 0.00 0.00 C+0 HETATM 128 O UNK 0 -4.504 2.036 2.043 0.00 0.00 O+0 HETATM 129 O UNK 0 -5.043 -0.208 2.317 0.00 0.00 O+0 HETATM 130 C UNK 0 -5.283 -1.296 1.514 0.00 0.00 C+0 HETATM 131 C UNK 0 -4.722 -1.189 0.100 0.00 0.00 C+0 HETATM 132 H UNK 0 1.743 -2.674 2.416 0.00 0.00 H+0 HETATM 133 H UNK 0 1.564 -2.226 0.693 0.00 0.00 H+0 HETATM 134 H UNK 0 1.501 -0.901 1.962 0.00 0.00 H+0 HETATM 135 H UNK 0 -0.707 -2.948 1.316 0.00 0.00 H+0 HETATM 136 H UNK 0 0.628 -0.703 3.892 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.189 2.536 4.674 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.060 2.837 1.727 0.00 0.00 H+0 HETATM 139 H UNK 0 -0.614 4.878 0.906 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.398 6.858 1.781 0.00 0.00 H+0 HETATM 141 H UNK 0 0.272 7.449 1.236 0.00 0.00 H+0 HETATM 142 H UNK 0 -0.048 6.904 2.970 0.00 0.00 H+0 HETATM 143 H UNK 0 2.318 5.554 1.377 0.00 0.00 H+0 HETATM 144 H UNK 0 3.423 4.537 -0.841 0.00 0.00 H+0 HETATM 145 H UNK 0 2.553 4.883 -3.506 0.00 0.00 H+0 HETATM 146 H UNK 0 1.199 2.776 -4.462 0.00 0.00 H+0 HETATM 147 H UNK 0 2.761 1.184 -3.934 0.00 0.00 H+0 HETATM 148 H UNK 0 1.963 0.848 -2.341 0.00 0.00 H+0 HETATM 149 H UNK 0 1.166 0.306 -3.864 0.00 0.00 H+0 HETATM 150 H UNK 0 -1.025 2.864 -3.462 0.00 0.00 H+0 HETATM 151 H UNK 0 -2.626 -0.137 -2.726 0.00 0.00 H+0 HETATM 152 H UNK 0 -2.587 0.965 -1.284 0.00 0.00 H+0 HETATM 153 H UNK 0 -3.478 2.656 -2.696 0.00 0.00 H+0 HETATM 154 H UNK 0 -2.493 3.526 -5.630 0.00 0.00 H+0 HETATM 155 H UNK 0 -3.525 1.483 -7.499 0.00 0.00 H+0 HETATM 156 H UNK 0 -0.920 1.419 -9.192 0.00 0.00 H+0 HETATM 157 H UNK 0 -2.480 -0.258 -7.964 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.327 -0.808 -9.253 0.00 0.00 H+0 HETATM 159 H UNK 0 -0.877 -1.051 -7.512 0.00 0.00 H+0 HETATM 160 H UNK 0 0.728 0.715 -6.789 0.00 0.00 H+0 HETATM 161 H UNK 0 2.856 0.813 -6.840 0.00 0.00 H+0 HETATM 162 H UNK 0 2.936 -1.456 -7.147 0.00 0.00 H+0 HETATM 163 H UNK 0 2.910 -1.279 -8.925 0.00 0.00 H+0 HETATM 164 H UNK 0 4.475 -1.020 -7.985 0.00 0.00 H+0 HETATM 165 H UNK 0 4.467 1.261 -9.374 0.00 0.00 H+0 HETATM 166 H UNK 0 6.641 2.419 -8.166 0.00 0.00 H+0 HETATM 167 H UNK 0 5.369 3.407 -10.109 0.00 0.00 H+0 HETATM 168 H UNK 0 4.486 4.501 -9.024 0.00 0.00 H+0 HETATM 169 H UNK 0 6.231 4.817 -9.307 0.00 0.00 H+0 HETATM 170 H UNK 0 6.019 5.054 -6.888 0.00 0.00 H+0 HETATM 171 H UNK 0 8.021 4.033 -4.313 0.00 0.00 H+0 HETATM 172 H UNK 0 7.241 6.106 -5.280 0.00 0.00 H+0 HETATM 173 H UNK 0 5.522 5.800 -4.676 0.00 0.00 H+0 HETATM 174 H UNK 0 6.857 6.135 -3.561 0.00 0.00 H+0 HETATM 175 H UNK 0 5.283 3.814 -3.016 0.00 0.00 H+0 HETATM 176 H UNK 0 5.183 1.911 -1.396 0.00 0.00 H+0 HETATM 177 H UNK 0 7.995 2.177 -0.153 0.00 0.00 H+0 HETATM 178 H UNK 0 6.880 3.541 -0.138 0.00 0.00 H+0 HETATM 179 H UNK 0 6.986 2.454 1.954 0.00 0.00 H+0 HETATM 180 H UNK 0 6.854 0.296 2.449 0.00 0.00 H+0 HETATM 181 H UNK 0 5.539 -0.068 1.324 0.00 0.00 H+0 HETATM 182 H UNK 0 7.290 -0.047 0.777 0.00 0.00 H+0 HETATM 183 H UNK 0 4.858 2.559 2.520 0.00 0.00 H+0 HETATM 184 H UNK 0 4.633 3.246 0.884 0.00 0.00 H+0 HETATM 185 H UNK 0 4.217 1.486 1.271 0.00 0.00 H+0 HETATM 186 H UNK 0 7.638 0.114 -1.586 0.00 0.00 H+0 HETATM 187 H UNK 0 6.740 -2.280 -0.882 0.00 0.00 H+0 HETATM 188 H UNK 0 7.531 -2.894 -2.898 0.00 0.00 H+0 HETATM 189 H UNK 0 7.097 -1.241 -3.416 0.00 0.00 H+0 HETATM 190 H UNK 0 5.615 -2.327 -4.957 0.00 0.00 H+0 HETATM 191 H UNK 0 5.770 -3.860 -3.950 0.00 0.00 H+0 HETATM 192 H UNK 0 3.515 -3.143 -3.461 0.00 0.00 H+0 HETATM 193 H UNK 0 4.029 -1.463 -3.219 0.00 0.00 H+0 HETATM 194 H UNK 0 3.997 -5.636 1.829 0.00 0.00 H+0 HETATM 195 H UNK 0 2.333 -6.067 -0.507 0.00 0.00 H+0 HETATM 196 H UNK 0 1.759 -4.555 0.318 0.00 0.00 H+0 HETATM 197 H UNK 0 1.788 -6.059 1.244 0.00 0.00 H+0 HETATM 198 H UNK 0 6.681 -4.017 0.248 0.00 0.00 H+0 HETATM 199 H UNK 0 8.173 -4.780 2.452 0.00 0.00 H+0 HETATM 200 H UNK 0 7.894 -3.025 2.317 0.00 0.00 H+0 HETATM 201 H UNK 0 6.923 -4.591 4.756 0.00 0.00 H+0 HETATM 202 H UNK 0 5.846 -2.824 4.827 0.00 0.00 H+0 HETATM 203 H UNK 0 9.345 -2.726 4.296 0.00 0.00 H+0 HETATM 204 H UNK 0 8.790 -3.303 5.864 0.00 0.00 H+0 HETATM 205 H UNK 0 9.836 -5.162 3.585 0.00 0.00 H+0 HETATM 206 H UNK 0 10.790 -4.472 4.924 0.00 0.00 H+0 HETATM 207 H UNK 0 9.596 -5.772 6.584 0.00 0.00 H+0 HETATM 208 H UNK 0 10.366 -6.717 5.280 0.00 0.00 H+0 HETATM 209 H UNK 0 8.489 -7.766 6.018 0.00 0.00 H+0 HETATM 210 H UNK 0 7.330 -6.481 5.772 0.00 0.00 H+0 HETATM 211 H UNK 0 8.169 -6.800 3.148 0.00 0.00 H+0 HETATM 212 H UNK 0 8.982 -8.223 3.850 0.00 0.00 H+0 HETATM 213 H UNK 0 6.804 -8.690 2.801 0.00 0.00 H+0 HETATM 214 H UNK 0 5.951 -7.584 3.908 0.00 0.00 H+0 HETATM 215 H UNK 0 5.617 -9.725 4.868 0.00 0.00 H+0 HETATM 216 H UNK 0 6.947 -9.064 5.839 0.00 0.00 H+0 HETATM 217 H UNK 0 7.296 -10.279 4.531 0.00 0.00 H+0 HETATM 218 H UNK 0 -5.274 2.153 -5.921 0.00 0.00 H+0 HETATM 219 H UNK 0 -4.291 4.317 -4.088 0.00 0.00 H+0 HETATM 220 H UNK 0 -5.811 4.614 -5.009 0.00 0.00 H+0 HETATM 221 H UNK 0 -5.745 3.192 -3.928 0.00 0.00 H+0 HETATM 222 H UNK 0 -5.308 3.328 -7.812 0.00 0.00 H+0 HETATM 223 H UNK 0 -5.385 4.783 -6.785 0.00 0.00 H+0 HETATM 224 H UNK 0 -3.757 4.221 -7.416 0.00 0.00 H+0 HETATM 225 H UNK 0 4.253 6.355 -2.350 0.00 0.00 H+0 HETATM 226 H UNK 0 2.163 6.858 -3.544 0.00 0.00 H+0 HETATM 227 H UNK 0 1.508 7.712 -2.026 0.00 0.00 H+0 HETATM 228 H UNK 0 3.018 8.271 -2.826 0.00 0.00 H+0 HETATM 229 H UNK 0 2.824 7.437 0.134 0.00 0.00 H+0 HETATM 230 H UNK 0 3.998 8.344 -0.936 0.00 0.00 H+0 HETATM 231 H UNK 0 4.578 6.894 -0.081 0.00 0.00 H+0 HETATM 232 H UNK 0 2.231 1.436 3.117 0.00 0.00 H+0 HETATM 233 H UNK 0 2.539 0.065 4.851 0.00 0.00 H+0 HETATM 234 H UNK 0 2.486 1.387 6.015 0.00 0.00 H+0 HETATM 235 H UNK 0 0.957 0.611 5.656 0.00 0.00 H+0 HETATM 236 H UNK 0 2.786 3.755 3.559 0.00 0.00 H+0 HETATM 237 H UNK 0 2.156 3.606 5.316 0.00 0.00 H+0 HETATM 238 H UNK 0 3.573 2.677 4.733 0.00 0.00 H+0 HETATM 239 H UNK 0 -2.627 -3.038 1.477 0.00 0.00 H+0 HETATM 240 H UNK 0 -4.799 -3.373 1.390 0.00 0.00 H+0 HETATM 241 H UNK 0 -6.002 -4.536 4.470 0.00 0.00 H+0 HETATM 242 H UNK 0 -7.970 -3.007 2.864 0.00 0.00 H+0 HETATM 243 H UNK 0 -9.075 -5.342 3.027 0.00 0.00 H+0 HETATM 244 H UNK 0 -8.908 -4.237 4.515 0.00 0.00 H+0 HETATM 245 H UNK 0 -7.836 -5.654 4.279 0.00 0.00 H+0 HETATM 246 H UNK 0 -7.607 -4.315 -0.420 0.00 0.00 H+0 HETATM 247 H UNK 0 -9.578 -3.399 1.684 0.00 0.00 H+0 HETATM 248 H UNK 0 -10.274 -5.522 0.765 0.00 0.00 H+0 HETATM 249 H UNK 0 -10.616 -6.039 -1.389 0.00 0.00 H+0 HETATM 250 H UNK 0 -10.737 -4.383 -2.012 0.00 0.00 H+0 HETATM 251 H UNK 0 -9.102 -5.113 -1.562 0.00 0.00 H+0 HETATM 252 H UNK 0 -11.918 -3.215 -0.188 0.00 0.00 H+0 HETATM 253 H UNK 0 -12.421 -4.788 -0.066 0.00 0.00 H+0 HETATM 254 H UNK 0 -10.784 -0.709 -0.373 0.00 0.00 H+0 HETATM 255 H UNK 0 -9.276 -0.969 2.202 0.00 0.00 H+0 HETATM 256 H UNK 0 -11.359 0.927 1.065 0.00 0.00 H+0 HETATM 257 H UNK 0 -11.389 -1.726 2.400 0.00 0.00 H+0 HETATM 258 H UNK 0 -12.617 -0.953 1.364 0.00 0.00 H+0 HETATM 259 H UNK 0 -12.579 -0.524 3.151 0.00 0.00 H+0 HETATM 260 H UNK 0 -10.529 0.535 3.888 0.00 0.00 H+0 HETATM 261 H UNK 0 -11.776 1.517 3.276 0.00 0.00 H+0 HETATM 262 H UNK 0 -6.758 0.848 0.403 0.00 0.00 H+0 HETATM 263 H UNK 0 -6.812 2.701 2.336 0.00 0.00 H+0 HETATM 264 H UNK 0 -8.322 1.468 3.832 0.00 0.00 H+0 HETATM 265 H UNK 0 -7.105 0.108 3.936 0.00 0.00 H+0 HETATM 266 H UNK 0 -4.888 0.585 4.960 0.00 0.00 H+0 HETATM 267 H UNK 0 -3.743 1.937 6.676 0.00 0.00 H+0 HETATM 268 H UNK 0 -4.759 4.032 7.482 0.00 0.00 H+0 HETATM 269 H UNK 0 -6.957 4.784 6.510 0.00 0.00 H+0 HETATM 270 H UNK 0 -8.050 3.427 4.789 0.00 0.00 H+0 HETATM 271 H UNK 0 -6.360 -1.549 1.384 0.00 0.00 H+0 HETATM 272 H UNK 0 -5.489 -0.898 -0.631 0.00 0.00 H+0 HETATM 273 H UNK 0 -4.256 -2.168 -0.143 0.00 0.00 H+0 HETATM 274 H UNK 0 -3.886 -0.454 0.152 0.00 0.00 H+0 CONECT 1 2 132 133 134 CONECT 2 1 3 135 CONECT 3 2 4 93 CONECT 4 3 5 136 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 90 137 CONECT 8 7 9 138 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 13 139 CONECT 12 11 140 141 142 CONECT 13 11 14 143 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 87 144 CONECT 17 16 18 145 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 146 CONECT 21 20 147 148 149 CONECT 22 20 23 150 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 151 152 CONECT 26 25 27 153 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 84 154 CONECT 30 29 31 155 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 35 156 CONECT 34 33 157 158 159 CONECT 35 33 36 160 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 40 161 CONECT 39 38 162 163 164 CONECT 40 38 41 165 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 45 166 CONECT 44 43 167 168 169 CONECT 45 43 46 170 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 50 171 CONECT 49 48 172 173 174 CONECT 50 48 51 175 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 54 58 176 CONECT 54 53 55 177 178 CONECT 55 54 56 57 179 CONECT 56 55 180 181 182 CONECT 57 55 183 184 185 CONECT 58 53 59 186 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 65 187 CONECT 62 61 63 188 189 CONECT 63 62 64 190 191 CONECT 64 63 65 192 193 CONECT 65 64 66 61 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 69 71 CONECT 69 68 70 194 CONECT 70 69 195 196 197 CONECT 71 68 72 198 CONECT 72 71 73 74 CONECT 73 72 CONECT 74 72 75 199 200 CONECT 75 74 76 77 201 CONECT 76 75 202 CONECT 77 75 78 203 204 CONECT 78 77 79 205 206 CONECT 79 78 80 207 208 CONECT 80 79 81 209 210 CONECT 81 80 82 211 212 CONECT 82 81 83 213 214 CONECT 83 82 215 216 217 CONECT 84 29 85 86 218 CONECT 85 84 219 220 221 CONECT 86 84 222 223 224 CONECT 87 16 88 89 225 CONECT 88 87 226 227 228 CONECT 89 87 229 230 231 CONECT 90 7 91 92 232 CONECT 91 90 233 234 235 CONECT 92 90 236 237 238 CONECT 93 3 94 95 CONECT 94 93 CONECT 95 93 96 239 CONECT 96 95 97 130 240 CONECT 97 96 98 99 CONECT 98 97 CONECT 99 97 100 241 CONECT 100 99 101 102 242 CONECT 101 100 243 244 245 CONECT 102 100 103 104 CONECT 103 102 CONECT 104 102 105 246 CONECT 105 104 106 109 247 CONECT 106 105 107 108 248 CONECT 107 106 249 250 251 CONECT 108 106 252 253 CONECT 109 105 110 111 CONECT 110 109 CONECT 111 109 112 254 CONECT 112 111 113 116 255 CONECT 113 112 114 115 256 CONECT 114 113 257 258 259 CONECT 115 113 260 261 CONECT 116 112 117 118 CONECT 117 116 CONECT 118 116 119 262 CONECT 119 118 120 127 263 CONECT 120 119 121 264 265 CONECT 121 120 122 126 CONECT 122 121 123 266 CONECT 123 122 124 267 CONECT 124 123 125 268 CONECT 125 124 126 269 CONECT 126 125 121 270 CONECT 127 119 128 129 CONECT 128 127 CONECT 129 127 130 CONECT 130 129 131 96 271 CONECT 131 130 272 273 274 CONECT 132 1 CONECT 133 1 CONECT 134 1 CONECT 135 2 CONECT 136 4 CONECT 137 7 CONECT 138 8 CONECT 139 11 CONECT 140 12 CONECT 141 12 CONECT 142 12 CONECT 143 13 CONECT 144 16 CONECT 145 17 CONECT 146 20 CONECT 147 21 CONECT 148 21 CONECT 149 21 CONECT 150 22 CONECT 151 25 CONECT 152 25 CONECT 153 26 CONECT 154 29 CONECT 155 30 CONECT 156 33 CONECT 157 34 CONECT 158 34 CONECT 159 34 CONECT 160 35 CONECT 161 38 CONECT 162 39 CONECT 163 39 CONECT 164 39 CONECT 165 40 CONECT 166 43 CONECT 167 44 CONECT 168 44 CONECT 169 44 CONECT 170 45 CONECT 171 48 CONECT 172 49 CONECT 173 49 CONECT 174 49 CONECT 175 50 CONECT 176 53 CONECT 177 54 CONECT 178 54 CONECT 179 55 CONECT 180 56 CONECT 181 56 CONECT 182 56 CONECT 183 57 CONECT 184 57 CONECT 185 57 CONECT 186 58 CONECT 187 61 CONECT 188 62 CONECT 189 62 CONECT 190 63 CONECT 191 63 CONECT 192 64 CONECT 193 64 CONECT 194 69 CONECT 195 70 CONECT 196 70 CONECT 197 70 CONECT 198 71 CONECT 199 74 CONECT 200 74 CONECT 201 75 CONECT 202 76 CONECT 203 77 CONECT 204 77 CONECT 205 78 CONECT 206 78 CONECT 207 79 CONECT 208 79 CONECT 209 80 CONECT 210 80 CONECT 211 81 CONECT 212 81 CONECT 213 82 CONECT 214 82 CONECT 215 83 CONECT 216 83 CONECT 217 83 CONECT 218 84 CONECT 219 85 CONECT 220 85 CONECT 221 85 CONECT 222 86 CONECT 223 86 CONECT 224 86 CONECT 225 87 CONECT 226 88 CONECT 227 88 CONECT 228 88 CONECT 229 89 CONECT 230 89 CONECT 231 89 CONECT 232 90 CONECT 233 91 CONECT 234 91 CONECT 235 91 CONECT 236 92 CONECT 237 92 CONECT 238 92 CONECT 239 95 CONECT 240 96 CONECT 241 99 CONECT 242 100 CONECT 243 101 CONECT 244 101 CONECT 245 101 CONECT 246 104 CONECT 247 105 CONECT 248 106 CONECT 249 107 CONECT 250 107 CONECT 251 107 CONECT 252 108 CONECT 253 108 CONECT 254 111 CONECT 255 112 CONECT 256 113 CONECT 257 114 CONECT 258 114 CONECT 259 114 CONECT 260 115 CONECT 261 115 CONECT 262 118 CONECT 263 119 CONECT 264 120 CONECT 265 120 CONECT 266 122 CONECT 267 123 CONECT 268 124 CONECT 269 125 CONECT 270 126 CONECT 271 130 CONECT 272 131 CONECT 273 131 CONECT 274 131 MASTER 0 0 0 0 0 0 0 0 274 0 552 0 END SMILES for NP0023059 (Fuscopeptin B)[H]O[C@@]([H])(C([H])([H])C(=O)N([H])C(=C(/[H])C([H])([H])[H])\C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])C(=C(\[H])C([H])([H])[H])\C(=O)N([H])[C@@]1([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[C@@]1([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]([H])(N([H])[H])C([H])([H])[H])[C@@]([H])(N([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] INCHI for NP0023059 (Fuscopeptin B)InChI=1S/C88H143N21O22/c1-22-25-26-27-31-35-57(110)40-63(111)99-59(24-3)87(129)109-37-32-36-62(109)80(122)101-60(38-42(4)5)79(121)96-51(17)73(115)94-49(15)71(113)93-50(16)72(114)95-52(18)75(117)103-65(43(6)7)81(123)91-41-64(112)92-48(14)74(116)104-66(44(8)9)82(124)97-53(19)76(118)105-67(45(10)11)83(125)100-58(23-2)78(120)108-70-55(21)131-88(130)61(39-56-33-29-28-30-34-56)102-84(126)68(46(12)89)107-85(127)69(47(13)90)106-77(119)54(20)98-86(70)128/h23-24,28-30,33-34,42-55,57,60-62,65-70,110H,22,25-27,31-32,35-41,89-90H2,1-21H3,(H,91,123)(H,92,112)(H,93,113)(H,94,115)(H,95,114)(H,96,121)(H,97,124)(H,98,128)(H,99,111)(H,100,125)(H,101,122)(H,102,126)(H,103,117)(H,104,116)(H,105,118)(H,106,119)(H,107,127)(H,108,120)/b58-23-,59-24+/t46-,47+,48-,49-,50-,51-,52+,53-,54-,55+,57-,60+,61+,62+,65+,66+,67-,68-,69-,70-/m1/s1 3D Structure for NP0023059 (Fuscopeptin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C88H143N21O22 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1847.2370 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1846.07166 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R)-N-[(2E)-1-[(2S)-2-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-[({[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1Z)-1-{[(3S,6R,9R,12R,15R,16S)-6-[(1R)-1-aminoethyl]-9-[(1S)-1-aminoethyl]-3-benzyl-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}prop-1-en-1-yl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R)-N-[(2E)-1-[(2S)-2-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-[({[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1Z)-1-{[(3S,6R,9R,12R,15R,16S)-6-[(1R)-1-aminoethyl]-9-[(1S)-1-aminoethyl]-3-benzyl-12,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}prop-1-en-1-yl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCC(O)CC(=O)N\C(=C\C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)N\C(=C/C)C(=O)NC1C(C)OC(=O)C(CC2=CC=CC=C2)NC(=O)C(NC(=O)C(NC(=O)C(C)NC1=O)C(C)N)C(C)N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C88H143N21O22/c1-22-25-26-27-31-35-57(110)40-63(111)99-59(24-3)87(129)109-37-32-36-62(109)80(122)101-60(38-42(4)5)79(121)96-51(17)73(115)94-49(15)71(113)93-50(16)72(114)95-52(18)75(117)103-65(43(6)7)81(123)91-41-64(112)92-48(14)74(116)104-66(44(8)9)82(124)97-53(19)76(118)105-67(45(10)11)83(125)100-58(23-2)78(120)108-70-55(21)131-88(130)61(39-56-33-29-28-30-34-56)102-84(126)68(46(12)89)107-85(127)69(47(13)90)106-77(119)54(20)98-86(70)128/h23-24,28-30,33-34,42-55,57,60-62,65-70,110H,22,25-27,31-32,35-41,89-90H2,1-21H3,(H,91,123)(H,92,112)(H,93,113)(H,94,115)(H,95,114)(H,96,121)(H,97,124)(H,98,128)(H,99,111)(H,100,125)(H,101,122)(H,102,126)(H,103,117)(H,104,116)(H,105,118)(H,106,119)(H,107,127)(H,108,120)/b58-23-,59-24+ | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DIHOLNUONFKUJS-VAKZLOQXSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA018064 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444377 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139588122 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
