Showing NP-Card for FR901469 (NP0003546)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:46:08 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:46:42 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003546 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | FR901469 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | FR901469 is found in Unknown-fungus sp. no. 11243. FR901469 was first documented in 2000 (PMID: 11099224). Based on a literature review very few articles have been published on FR901469. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003546 (FR901469)
Mrv1652307012117103D
224227 0 0 0 0 999 V2000
16.3548 -0.1114 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6379 -0.5637 -1.8153 C 0 0 2 0 0 0 0 0 0 0 0 0
14.9035 -1.8703 -1.5950 C 0 0 2 0 0 0 0 0 0 0 0 0
13.8566 -1.7757 -0.5199 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7893 -0.7422 -0.8575 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8313 -0.7618 0.3387 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7039 0.2200 0.1338 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7946 0.2364 1.3206 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1922 -1.0928 1.5609 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3705 -1.5671 0.4077 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1976 -0.6303 0.0795 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4756 -1.2923 -1.0710 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2924 -0.5595 -1.5808 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1933 -0.2945 -0.6055 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6842 -1.6486 -0.0859 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7331 -1.6245 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7241 -0.4801 1.9547 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7889 -2.7619 2.2332 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -3.9458 2.0869 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2498 -4.8486 3.2840 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7162 -5.1378 3.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4912 -6.0197 3.2130 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2931 -4.7055 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5303 -4.9580 0.6458 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3401 -5.1512 -0.0964 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 -5.8803 0.2364 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4665 -7.3609 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1662 -5.7878 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4890 -5.1488 -1.9075 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1273 -6.3917 -0.8460 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9689 -6.3181 0.3368 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8501 -7.5276 0.4920 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0207 -8.7711 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5904 -9.1727 1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8103 -10.3297 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4671 -11.0749 0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3007 -12.2135 1.0432 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8948 -10.6797 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 -9.5388 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 -5.0124 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7369 -4.1529 1.0588 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8654 -4.5010 0.3608 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6245 -3.9835 -0.7430 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9018 -3.8659 -2.0522 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9113 -3.2515 -3.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -5.1986 -2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8888 -4.7343 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7795 -6.0112 -0.8676 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1617 -4.2591 -1.2748 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1202 -4.5669 -2.3720 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3631 -3.1555 -2.8555 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.7097 -3.1384 -3.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2689 -2.2879 -1.5966 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.9568 -3.2834 -0.5398 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3180 -2.7788 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0083 -3.7490 1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0246 -1.4436 1.0405 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8622 -0.3582 1.3935 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.0225 -0.6934 2.3038 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.0054 -1.6658 1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4212 -1.2016 3.4794 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2393 0.5841 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4993 0.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5193 1.5334 -0.3801 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0291 2.8575 -0.0426 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4451 3.0374 1.3018 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3355 3.1287 2.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3629 2.1595 1.4397 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9821 3.9101 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7081 3.5202 -1.4843 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2190 5.2037 -0.0085 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4099 5.8559 0.5855 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.7657 6.4268 1.8405 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2990 6.6959 1.4495 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1319 8.0563 1.7178 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3184 6.3489 0.0134 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0781 6.1785 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2277 5.4945 -1.8040 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7854 6.6142 -0.4268 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3141 7.9702 -0.1953 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6168 8.5184 -1.4290 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1911 9.8146 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6570 8.7312 -2.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9698 9.2576 -3.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7429 9.5205 -4.9007 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7462 9.4716 -3.7509 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4455 7.9440 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0840 7.9961 2.1134 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0467 7.8713 1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1781 6.8801 0.4799 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0730 5.6378 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 5.0482 1.4933 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 5.0832 1.8232 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4557 5.3387 1.2752 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4198 4.8883 2.3318 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7990 5.4356 1.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0858 5.6209 3.5142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5573 4.6700 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2166 5.4755 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9215 3.4084 -0.4375 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1361 2.6682 -0.6004 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3804 3.3945 -0.9256 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3671 4.2070 -2.1980 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7508 4.8842 -2.3247 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9947 5.7298 -1.1779 N 0 0 1 0 0 0 0 0 0 0 0 0
2.9612 1.6091 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6564 2.0280 -2.8032 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1326 0.3040 -1.3344 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9741 -0.5949 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2534 0.9875 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4344 -0.4179 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3780 -0.7468 -2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9181 0.1802 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5801 -2.6980 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3811 -2.0957 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3135 -2.7611 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2400 -1.6548 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2815 -1.0370 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2178 0.2584 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3806 -0.4801 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4442 -1.8104 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1815 -0.0874 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0653 1.2520 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3746 0.5162 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9626 0.9807 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5256 -1.1224 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9697 -1.8757 1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9722 -1.7329 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0037 -2.6003 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5498 -0.6224 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6476 0.3313 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2701 -1.4029 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2870 -2.3358 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9245 -1.1368 -2.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6786 0.3931 -2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4932 0.2923 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3143 -2.4728 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6147 -1.7843 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4796 -2.7518 3.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8877 -3.6937 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9127 -4.3178 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0349 -4.9473 4.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9117 -6.2145 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3707 -4.5479 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0869 -6.7264 2.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5468 -4.9271 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6558 -5.4520 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5614 -7.4388 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 -7.9789 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9956 -7.7344 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 -6.9026 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1870 -6.5001 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4882 -7.4260 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5174 -7.6848 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8215 -8.6382 2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 -10.6521 2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -12.2075 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -11.2862 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9768 -9.2530 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4589 -4.4280 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8742 -2.8943 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0781 -3.1601 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2921 -2.7323 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5196 -4.0263 -3.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4934 -2.5199 -2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0628 -5.3238 -3.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6655 -6.0360 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -5.1342 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0570 -4.9623 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7533 -5.2613 -3.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6861 -2.8176 -3.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9792 -4.0146 -3.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2617 -1.8048 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4836 -1.5144 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9173 -3.8240 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9573 -1.2501 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2307 0.2847 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5489 0.2285 2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8975 -1.7471 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2989 -1.5738 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5353 -2.6931 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1047 -1.5095 4.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2921 1.2423 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 3.0330 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9068 4.0441 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3924 2.9318 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2013 4.0738 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0268 2.3335 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8651 2.1704 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7045 6.6693 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2567 5.2271 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3201 7.3672 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8457 5.7075 2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5958 6.1541 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4329 8.5414 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8456 7.2320 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0143 5.8768 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1768 8.6712 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 7.8824 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4922 9.6872 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2592 7.8504 -2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3320 9.5355 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7330 9.2172 -4.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3365 10.0383 -5.7119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 8.6550 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4831 6.5401 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1826 7.3576 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0140 4.4601 2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 6.4447 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4076 3.8448 2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8032 5.7412 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0389 6.3348 2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5786 4.6598 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4826 5.0909 4.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0605 2.7696 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3678 2.0777 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9062 3.9077 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1331 2.5507 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2655 3.6316 -3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6652 5.0563 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5309 4.0982 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8144 5.4897 -3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7997 5.4382 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0218 6.7488 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
19 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
26 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
38 39 2 0 0 0 0
31 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
43 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 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 2 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 1 0 0 0 0
58 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
65 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 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
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 2 0 0 0 0
80 87 1 0 0 0 0
87 88 2 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 2 0 0 0 0
91 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
95 97 1 0 0 0 0
94 98 1 0 0 0 0
98 99 2 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
102103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
101106 1 0 0 0 0
106107 2 0 0 0 0
106108 1 0 0 0 0
108 14 1 0 0 0 0
39 33 1 0 0 0 0
54 49 1 0 0 0 0
76 71 1 0 0 0 0
1109 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
2112 1 0 0 0 0
2113 1 0 0 0 0
3114 1 0 0 0 0
3115 1 0 0 0 0
4116 1 0 0 0 0
4117 1 0 0 0 0
5118 1 0 0 0 0
5119 1 0 0 0 0
6120 1 0 0 0 0
6121 1 0 0 0 0
7122 1 0 0 0 0
7123 1 0 0 0 0
8124 1 0 0 0 0
8125 1 0 0 0 0
9126 1 0 0 0 0
9127 1 0 0 0 0
10128 1 0 0 0 0
10129 1 0 0 0 0
11130 1 0 0 0 0
11131 1 0 0 0 0
12132 1 0 0 0 0
12133 1 0 0 0 0
13134 1 0 0 0 0
13135 1 0 0 0 0
14136 1 1 0 0 0
15137 1 0 0 0 0
15138 1 0 0 0 0
18139 1 0 0 0 0
19140 1 6 0 0 0
20141 1 1 0 0 0
21142 1 0 0 0 0
21143 1 0 0 0 0
21144 1 0 0 0 0
22145 1 0 0 0 0
25146 1 0 0 0 0
26147 1 1 0 0 0
27148 1 0 0 0 0
27149 1 0 0 0 0
27150 1 0 0 0 0
30151 1 0 0 0 0
31152 1 1 0 0 0
32153 1 0 0 0 0
32154 1 0 0 0 0
34155 1 0 0 0 0
35156 1 0 0 0 0
37157 1 0 0 0 0
38158 1 0 0 0 0
39159 1 0 0 0 0
42160 1 0 0 0 0
43161 1 1 0 0 0
44162 1 1 0 0 0
45163 1 0 0 0 0
45164 1 0 0 0 0
45165 1 0 0 0 0
46166 1 0 0 0 0
46167 1 0 0 0 0
46168 1 0 0 0 0
50169 1 0 0 0 0
50170 1 0 0 0 0
51171 1 6 0 0 0
52172 1 0 0 0 0
53173 1 0 0 0 0
53174 1 0 0 0 0
54175 1 1 0 0 0
57176 1 0 0 0 0
58177 1 1 0 0 0
59178 1 1 0 0 0
60179 1 0 0 0 0
60180 1 0 0 0 0
60181 1 0 0 0 0
61182 1 0 0 0 0
64183 1 0 0 0 0
65184 1 6 0 0 0
66185 1 6 0 0 0
67186 1 0 0 0 0
67187 1 0 0 0 0
67188 1 0 0 0 0
68189 1 0 0 0 0
72190 1 0 0 0 0
72191 1 0 0 0 0
73192 1 0 0 0 0
73193 1 0 0 0 0
74194 1 1 0 0 0
75195 1 0 0 0 0
76196 1 6 0 0 0
79197 1 0 0 0 0
80198 1 1 0 0 0
81199 1 6 0 0 0
82200 1 0 0 0 0
83201 1 0 0 0 0
83202 1 0 0 0 0
85203 1 0 0 0 0
85204 1 0 0 0 0
89205 1 0 0 0 0
90206 1 0 0 0 0
90207 1 0 0 0 0
93208 1 0 0 0 0
94209 1 6 0 0 0
95210 1 1 0 0 0
96211 1 0 0 0 0
96212 1 0 0 0 0
96213 1 0 0 0 0
97214 1 0 0 0 0
100215 1 0 0 0 0
101216 1 1 0 0 0
102217 1 0 0 0 0
102218 1 0 0 0 0
103219 1 0 0 0 0
103220 1 0 0 0 0
104221 1 0 0 0 0
104222 1 0 0 0 0
105223 1 0 0 0 0
105224 1 0 0 0 0
M END
3D MOL for NP0003546 (FR901469)
RDKit 3D
224227 0 0 0 0 0 0 0 0999 V2000
16.3548 -0.1114 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6379 -0.5637 -1.8153 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9035 -1.8703 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8566 -1.7757 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7893 -0.7422 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8313 -0.7618 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7039 0.2200 0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7946 0.2364 1.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1922 -1.0928 1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3705 -1.5671 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1976 -0.6303 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4756 -1.2923 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2924 -0.5595 -1.5808 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.2945 -0.6055 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6842 -1.6486 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7331 -1.6245 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7241 -0.4801 1.9547 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7889 -2.7619 2.2332 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -3.9458 2.0869 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2498 -4.8486 3.2840 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7162 -5.1378 3.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4912 -6.0197 3.2130 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2931 -4.7055 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5303 -4.9580 0.6458 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3401 -5.1512 -0.0964 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 -5.8803 0.2364 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4665 -7.3609 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1662 -5.7878 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4890 -5.1488 -1.9075 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1273 -6.3917 -0.8460 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9689 -6.3181 0.3368 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8501 -7.5276 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -8.7711 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5904 -9.1727 1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8103 -10.3297 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4671 -11.0749 0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3007 -12.2135 1.0432 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8948 -10.6797 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 -9.5388 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 -5.0124 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7369 -4.1529 1.0588 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8654 -4.5010 0.3608 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6245 -3.9835 -0.7430 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9018 -3.8659 -2.0522 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9113 -3.2515 -3.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -5.1986 -2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8888 -4.7343 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7795 -6.0112 -0.8676 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1617 -4.2591 -1.2748 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1202 -4.5669 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3631 -3.1555 -2.8555 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.7097 -3.1384 -3.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2689 -2.2879 -1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9568 -3.2834 -0.5398 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3180 -2.7788 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0083 -3.7490 1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0246 -1.4436 1.0405 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8622 -0.3582 1.3935 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.0225 -0.6934 2.3038 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.0054 -1.6658 1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4212 -1.2016 3.4794 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2393 0.5841 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4993 0.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5193 1.5334 -0.3801 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0291 2.8575 -0.0426 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4451 3.0374 1.3018 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3355 3.1287 2.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3629 2.1595 1.4397 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9821 3.9101 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7081 3.5202 -1.4843 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2190 5.2037 -0.0085 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4099 5.8559 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7657 6.4268 1.8405 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2990 6.6959 1.4495 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1319 8.0563 1.7178 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3184 6.3489 0.0134 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0781 6.1785 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2277 5.4945 -1.8040 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7854 6.6142 -0.4268 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3141 7.9702 -0.1953 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6168 8.5184 -1.4290 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1911 9.8146 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6570 8.7312 -2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9698 9.2576 -3.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7429 9.5205 -4.9007 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7462 9.4716 -3.7509 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4455 7.9440 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0840 7.9961 2.1134 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0467 7.8713 1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1781 6.8801 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0730 5.6378 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 5.0482 1.4933 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 5.0832 1.8232 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4557 5.3387 1.2752 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4198 4.8883 2.3318 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7990 5.4356 1.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0858 5.6209 3.5142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5573 4.6700 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2166 5.4755 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9215 3.4084 -0.4375 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1361 2.6682 -0.6004 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3804 3.3945 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3671 4.2070 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7508 4.8842 -2.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9947 5.7298 -1.1779 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9612 1.6091 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6564 2.0280 -2.8032 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1326 0.3040 -1.3344 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9741 -0.5949 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2534 0.9875 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4344 -0.4179 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3780 -0.7468 -2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9181 0.1802 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5801 -2.6980 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3811 -2.0957 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3135 -2.7611 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2400 -1.6548 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2815 -1.0370 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2178 0.2584 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3806 -0.4801 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4442 -1.8104 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1815 -0.0874 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0653 1.2520 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3746 0.5162 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9626 0.9807 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5256 -1.1224 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9697 -1.8757 1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9722 -1.7329 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0037 -2.6003 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5498 -0.6224 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6476 0.3313 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2701 -1.4029 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2870 -2.3358 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9245 -1.1368 -2.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6786 0.3931 -2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4932 0.2923 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3143 -2.4728 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6147 -1.7843 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4796 -2.7518 3.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8877 -3.6937 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9127 -4.3178 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0349 -4.9473 4.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9117 -6.2145 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3707 -4.5479 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0869 -6.7264 2.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5468 -4.9271 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6558 -5.4520 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5614 -7.4388 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 -7.9789 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9956 -7.7344 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 -6.9026 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1870 -6.5001 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4882 -7.4260 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5174 -7.6848 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8215 -8.6382 2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 -10.6521 2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -12.2075 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -11.2862 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9768 -9.2530 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4589 -4.4280 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8742 -2.8943 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0781 -3.1601 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2921 -2.7323 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5196 -4.0263 -3.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4934 -2.5199 -2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0628 -5.3238 -3.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6655 -6.0360 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -5.1342 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0570 -4.9623 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7533 -5.2613 -3.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6861 -2.8176 -3.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9792 -4.0146 -3.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2617 -1.8048 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4836 -1.5144 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9173 -3.8240 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9573 -1.2501 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2307 0.2847 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5489 0.2285 2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8975 -1.7471 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2989 -1.5738 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5353 -2.6931 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1047 -1.5095 4.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2921 1.2423 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 3.0330 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9068 4.0441 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3924 2.9318 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2013 4.0738 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0268 2.3335 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8651 2.1704 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7045 6.6693 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2567 5.2271 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3201 7.3672 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8457 5.7075 2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5958 6.1541 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4329 8.5414 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8456 7.2320 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0143 5.8768 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1768 8.6712 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 7.8824 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4922 9.6872 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2592 7.8504 -2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3320 9.5355 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7330 9.2172 -4.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3365 10.0383 -5.7119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 8.6550 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4831 6.5401 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1826 7.3576 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0140 4.4601 2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 6.4447 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4076 3.8448 2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8032 5.7412 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0389 6.3348 2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5786 4.6598 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4826 5.0909 4.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0605 2.7696 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3678 2.0777 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9062 3.9077 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1331 2.5507 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2655 3.6316 -3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6652 5.0563 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5309 4.0982 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8144 5.4897 -3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7997 5.4382 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0218 6.7488 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
20 22 1 0
19 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
26 28 1 0
28 29 2 0
28 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 2 0
34 35 1 0
35 36 2 0
36 37 1 0
36 38 1 0
38 39 2 0
31 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
44 46 1 0
43 47 1 0
47 48 2 0
47 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 2 0
55 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
59 61 1 0
58 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
66 67 1 0
66 68 1 0
65 69 1 0
69 70 2 0
69 71 1 0
71 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
74 76 1 0
76 77 1 0
77 78 2 0
77 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
81 83 1 0
83 84 1 0
84 85 1 0
84 86 2 0
80 87 1 0
87 88 2 0
87 89 1 0
89 90 1 0
90 91 1 0
91 92 2 0
91 93 1 0
93 94 1 0
94 95 1 0
95 96 1 0
95 97 1 0
94 98 1 0
98 99 2 0
98100 1 0
100101 1 0
101102 1 0
102103 1 0
103104 1 0
104105 1 0
101106 1 0
106107 2 0
106108 1 0
108 14 1 0
39 33 1 0
54 49 1 0
76 71 1 0
1109 1 0
1110 1 0
1111 1 0
2112 1 0
2113 1 0
3114 1 0
3115 1 0
4116 1 0
4117 1 0
5118 1 0
5119 1 0
6120 1 0
6121 1 0
7122 1 0
7123 1 0
8124 1 0
8125 1 0
9126 1 0
9127 1 0
10128 1 0
10129 1 0
11130 1 0
11131 1 0
12132 1 0
12133 1 0
13134 1 0
13135 1 0
14136 1 1
15137 1 0
15138 1 0
18139 1 0
19140 1 6
20141 1 1
21142 1 0
21143 1 0
21144 1 0
22145 1 0
25146 1 0
26147 1 1
27148 1 0
27149 1 0
27150 1 0
30151 1 0
31152 1 1
32153 1 0
32154 1 0
34155 1 0
35156 1 0
37157 1 0
38158 1 0
39159 1 0
42160 1 0
43161 1 1
44162 1 1
45163 1 0
45164 1 0
45165 1 0
46166 1 0
46167 1 0
46168 1 0
50169 1 0
50170 1 0
51171 1 6
52172 1 0
53173 1 0
53174 1 0
54175 1 1
57176 1 0
58177 1 1
59178 1 1
60179 1 0
60180 1 0
60181 1 0
61182 1 0
64183 1 0
65184 1 6
66185 1 6
67186 1 0
67187 1 0
67188 1 0
68189 1 0
72190 1 0
72191 1 0
73192 1 0
73193 1 0
74194 1 1
75195 1 0
76196 1 6
79197 1 0
80198 1 1
81199 1 6
82200 1 0
83201 1 0
83202 1 0
85203 1 0
85204 1 0
89205 1 0
90206 1 0
90207 1 0
93208 1 0
94209 1 6
95210 1 1
96211 1 0
96212 1 0
96213 1 0
97214 1 0
100215 1 0
101216 1 1
102217 1 0
102218 1 0
103219 1 0
103220 1 0
104221 1 0
104222 1 0
105223 1 0
105224 1 0
M END
3D SDF for NP0003546 (FR901469)
Mrv1652307012117103D
224227 0 0 0 0 999 V2000
16.3548 -0.1114 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6379 -0.5637 -1.8153 C 0 0 2 0 0 0 0 0 0 0 0 0
14.9035 -1.8703 -1.5950 C 0 0 2 0 0 0 0 0 0 0 0 0
13.8566 -1.7757 -0.5199 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7893 -0.7422 -0.8575 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8313 -0.7618 0.3387 C 0 0 2 0 0 0 0 0 0 0 0 0
10.7039 0.2200 0.1338 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7946 0.2364 1.3206 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1922 -1.0928 1.5609 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3705 -1.5671 0.4077 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1976 -0.6303 0.0795 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4756 -1.2923 -1.0710 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2924 -0.5595 -1.5808 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1933 -0.2945 -0.6055 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6842 -1.6486 -0.0859 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7331 -1.6245 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7241 -0.4801 1.9547 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7889 -2.7619 2.2332 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -3.9458 2.0869 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2498 -4.8486 3.2840 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7162 -5.1378 3.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4912 -6.0197 3.2130 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2931 -4.7055 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5303 -4.9580 0.6458 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3401 -5.1512 -0.0964 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 -5.8803 0.2364 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4665 -7.3609 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1662 -5.7878 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4890 -5.1488 -1.9075 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1273 -6.3917 -0.8460 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9689 -6.3181 0.3368 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8501 -7.5276 0.4920 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0207 -8.7711 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5904 -9.1727 1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8103 -10.3297 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4671 -11.0749 0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3007 -12.2135 1.0432 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8948 -10.6797 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 -9.5388 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 -5.0124 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7369 -4.1529 1.0588 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8654 -4.5010 0.3608 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6245 -3.9835 -0.7430 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9018 -3.8659 -2.0522 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9113 -3.2515 -3.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -5.1986 -2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8888 -4.7343 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7795 -6.0112 -0.8676 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1617 -4.2591 -1.2748 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1202 -4.5669 -2.3720 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3631 -3.1555 -2.8555 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.7097 -3.1384 -3.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2689 -2.2879 -1.5966 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.9568 -3.2834 -0.5398 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3180 -2.7788 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0083 -3.7490 1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0246 -1.4436 1.0405 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8622 -0.3582 1.3935 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.0225 -0.6934 2.3038 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.0054 -1.6658 1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4212 -1.2016 3.4794 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2393 0.5841 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4993 0.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5193 1.5334 -0.3801 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0291 2.8575 -0.0426 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4451 3.0374 1.3018 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3355 3.1287 2.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3629 2.1595 1.4397 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9821 3.9101 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7081 3.5202 -1.4843 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2190 5.2037 -0.0085 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4099 5.8559 0.5855 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.7657 6.4268 1.8405 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2990 6.6959 1.4495 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1319 8.0563 1.7178 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3184 6.3489 0.0134 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0781 6.1785 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2277 5.4945 -1.8040 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7854 6.6142 -0.4268 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3141 7.9702 -0.1953 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6168 8.5184 -1.4290 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1911 9.8146 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6570 8.7312 -2.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9698 9.2576 -3.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7429 9.5205 -4.9007 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7462 9.4716 -3.7509 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4455 7.9440 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0840 7.9961 2.1134 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0467 7.8713 1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1781 6.8801 0.4799 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0730 5.6378 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 5.0482 1.4933 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 5.0832 1.8232 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4557 5.3387 1.2752 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4198 4.8883 2.3318 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7990 5.4356 1.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0858 5.6209 3.5142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5573 4.6700 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2166 5.4755 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9215 3.4084 -0.4375 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1361 2.6682 -0.6004 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3804 3.3945 -0.9256 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3671 4.2070 -2.1980 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7508 4.8842 -2.3247 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9947 5.7298 -1.1779 N 0 0 1 0 0 0 0 0 0 0 0 0
2.9612 1.6091 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6564 2.0280 -2.8032 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1326 0.3040 -1.3344 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9741 -0.5949 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2534 0.9875 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4344 -0.4179 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3780 -0.7468 -2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9181 0.1802 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5801 -2.6980 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3811 -2.0957 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3135 -2.7611 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2400 -1.6548 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2815 -1.0370 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2178 0.2584 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3806 -0.4801 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4442 -1.8104 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1815 -0.0874 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0653 1.2520 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3746 0.5162 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9626 0.9807 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5256 -1.1224 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9697 -1.8757 1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9722 -1.7329 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0037 -2.6003 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5498 -0.6224 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6476 0.3313 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2701 -1.4029 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2870 -2.3358 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9245 -1.1368 -2.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6786 0.3931 -2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4932 0.2923 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3143 -2.4728 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6147 -1.7843 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4796 -2.7518 3.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8877 -3.6937 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9127 -4.3178 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0349 -4.9473 4.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9117 -6.2145 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3707 -4.5479 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0869 -6.7264 2.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5468 -4.9271 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6558 -5.4520 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5614 -7.4388 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 -7.9789 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9956 -7.7344 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 -6.9026 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1870 -6.5001 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4882 -7.4260 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5174 -7.6848 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8215 -8.6382 2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 -10.6521 2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -12.2075 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -11.2862 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9768 -9.2530 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4589 -4.4280 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8742 -2.8943 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0781 -3.1601 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2921 -2.7323 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5196 -4.0263 -3.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4934 -2.5199 -2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0628 -5.3238 -3.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6655 -6.0360 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -5.1342 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0570 -4.9623 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7533 -5.2613 -3.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6861 -2.8176 -3.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9792 -4.0146 -3.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2617 -1.8048 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4836 -1.5144 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9173 -3.8240 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9573 -1.2501 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2307 0.2847 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5489 0.2285 2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8975 -1.7471 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2989 -1.5738 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5353 -2.6931 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1047 -1.5095 4.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2921 1.2423 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 3.0330 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9068 4.0441 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3924 2.9318 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2013 4.0738 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0268 2.3335 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8651 2.1704 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7045 6.6693 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2567 5.2271 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3201 7.3672 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8457 5.7075 2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5958 6.1541 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4329 8.5414 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8456 7.2320 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0143 5.8768 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1768 8.6712 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 7.8824 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4922 9.6872 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2592 7.8504 -2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3320 9.5355 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7330 9.2172 -4.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3365 10.0383 -5.7119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 8.6550 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4831 6.5401 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1826 7.3576 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0140 4.4601 2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 6.4447 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4076 3.8448 2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8032 5.7412 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0389 6.3348 2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5786 4.6598 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4826 5.0909 4.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0605 2.7696 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3678 2.0777 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9062 3.9077 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1331 2.5507 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2655 3.6316 -3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6652 5.0563 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5309 4.0982 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8144 5.4897 -3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7997 5.4382 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0218 6.7488 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
19 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
26 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
38 39 2 0 0 0 0
31 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
43 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 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 2 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 1 0 0 0 0
58 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
65 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 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
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 2 0 0 0 0
80 87 1 0 0 0 0
87 88 2 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 2 0 0 0 0
91 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
95 97 1 0 0 0 0
94 98 1 0 0 0 0
98 99 2 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
102103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
101106 1 0 0 0 0
106107 2 0 0 0 0
106108 1 0 0 0 0
108 14 1 0 0 0 0
39 33 1 0 0 0 0
54 49 1 0 0 0 0
76 71 1 0 0 0 0
1109 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
2112 1 0 0 0 0
2113 1 0 0 0 0
3114 1 0 0 0 0
3115 1 0 0 0 0
4116 1 0 0 0 0
4117 1 0 0 0 0
5118 1 0 0 0 0
5119 1 0 0 0 0
6120 1 0 0 0 0
6121 1 0 0 0 0
7122 1 0 0 0 0
7123 1 0 0 0 0
8124 1 0 0 0 0
8125 1 0 0 0 0
9126 1 0 0 0 0
9127 1 0 0 0 0
10128 1 0 0 0 0
10129 1 0 0 0 0
11130 1 0 0 0 0
11131 1 0 0 0 0
12132 1 0 0 0 0
12133 1 0 0 0 0
13134 1 0 0 0 0
13135 1 0 0 0 0
14136 1 1 0 0 0
15137 1 0 0 0 0
15138 1 0 0 0 0
18139 1 0 0 0 0
19140 1 6 0 0 0
20141 1 1 0 0 0
21142 1 0 0 0 0
21143 1 0 0 0 0
21144 1 0 0 0 0
22145 1 0 0 0 0
25146 1 0 0 0 0
26147 1 1 0 0 0
27148 1 0 0 0 0
27149 1 0 0 0 0
27150 1 0 0 0 0
30151 1 0 0 0 0
31152 1 1 0 0 0
32153 1 0 0 0 0
32154 1 0 0 0 0
34155 1 0 0 0 0
35156 1 0 0 0 0
37157 1 0 0 0 0
38158 1 0 0 0 0
39159 1 0 0 0 0
42160 1 0 0 0 0
43161 1 1 0 0 0
44162 1 1 0 0 0
45163 1 0 0 0 0
45164 1 0 0 0 0
45165 1 0 0 0 0
46166 1 0 0 0 0
46167 1 0 0 0 0
46168 1 0 0 0 0
50169 1 0 0 0 0
50170 1 0 0 0 0
51171 1 6 0 0 0
52172 1 0 0 0 0
53173 1 0 0 0 0
53174 1 0 0 0 0
54175 1 1 0 0 0
57176 1 0 0 0 0
58177 1 1 0 0 0
59178 1 1 0 0 0
60179 1 0 0 0 0
60180 1 0 0 0 0
60181 1 0 0 0 0
61182 1 0 0 0 0
64183 1 0 0 0 0
65184 1 6 0 0 0
66185 1 6 0 0 0
67186 1 0 0 0 0
67187 1 0 0 0 0
67188 1 0 0 0 0
68189 1 0 0 0 0
72190 1 0 0 0 0
72191 1 0 0 0 0
73192 1 0 0 0 0
73193 1 0 0 0 0
74194 1 1 0 0 0
75195 1 0 0 0 0
76196 1 6 0 0 0
79197 1 0 0 0 0
80198 1 1 0 0 0
81199 1 6 0 0 0
82200 1 0 0 0 0
83201 1 0 0 0 0
83202 1 0 0 0 0
85203 1 0 0 0 0
85204 1 0 0 0 0
89205 1 0 0 0 0
90206 1 0 0 0 0
90207 1 0 0 0 0
93208 1 0 0 0 0
94209 1 6 0 0 0
95210 1 1 0 0 0
96211 1 0 0 0 0
96212 1 0 0 0 0
96213 1 0 0 0 0
97214 1 0 0 0 0
100215 1 0 0 0 0
101216 1 1 0 0 0
102217 1 0 0 0 0
102218 1 0 0 0 0
103219 1 0 0 0 0
103220 1 0 0 0 0
104221 1 0 0 0 0
104222 1 0 0 0 0
105223 1 0 0 0 0
105224 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003546
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[C@]([H])(OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]3([H])N(C(=O)[C@@]([H])(N([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C3([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])O[H])[C@]([H])(O[H])C([H])([H])C(=O)N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C71H116N14O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104)/t37-,38+,39-,40-,41-,44+,45-,46-,47-,48-,49+,50-,54+,55-,56+,57-,58-,59-,60+/m1/s1
> <INCHI_KEY>
LTLDDYQPSWDOBJ-UHFFFAOYSA-N
> <FORMULA>
C71H116N14O23
> <MOLECULAR_WEIGHT>
1533.784
> <EXACT_MASS>
1532.833776051
> <JCHEM_ACCEPTOR_COUNT>
23
> <JCHEM_ATOM_COUNT>
224
> <JCHEM_AVERAGE_POLARIZABILITY>
161.37163386615325
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
20
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3R)-3-[(3R,6R,9R,11S,15S,18R,21R,24R,28R,31R,34S,40R,43S,44S)-31-(3-aminopropyl)-11,44-dihydroxy-3,6,34-tris[(1R)-1-hydroxyethyl]-24-[(1S)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-15-(propan-2-yl)-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecaazatricyclo[41.3.0.0^{9,13}]hexatetracontan-40-yl]-3-hydroxypropanamide
> <JCHEM_LOGP>
-6.797999789506381
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
4
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
11.073749742154666
> <JCHEM_PKA_STRONGEST_ACIDIC>
9.348173902700605
> <JCHEM_PKA_STRONGEST_BASIC>
10.013347585608708
> <JCHEM_POLAR_SURFACE_AREA>
588.87
> <JCHEM_REFRACTIVITY>
382.17260000000005
> <JCHEM_ROTATABLE_BOND_COUNT>
25
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(3R)-3-[(3R,6R,9R,11S,15S,18R,21R,24R,28R,31R,34S,40R,43S,44S)-31-(3-aminopropyl)-11,44-dihydroxy-3,6,34-tris[(1R)-1-hydroxyethyl]-24-[(1S)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-15-isopropyl-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecaazatricyclo[41.3.0.0^{9,13}]hexatetracontan-40-yl]-3-hydroxypropanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003546 (FR901469)
RDKit 3D
224227 0 0 0 0 0 0 0 0999 V2000
16.3548 -0.1114 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6379 -0.5637 -1.8153 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9035 -1.8703 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8566 -1.7757 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7893 -0.7422 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8313 -0.7618 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7039 0.2200 0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7946 0.2364 1.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1922 -1.0928 1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3705 -1.5671 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1976 -0.6303 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4756 -1.2923 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2924 -0.5595 -1.5808 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.2945 -0.6055 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6842 -1.6486 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7331 -1.6245 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7241 -0.4801 1.9547 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7889 -2.7619 2.2332 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -3.9458 2.0869 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2498 -4.8486 3.2840 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7162 -5.1378 3.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4912 -6.0197 3.2130 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2931 -4.7055 0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5303 -4.9580 0.6458 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3401 -5.1512 -0.0964 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 -5.8803 0.2364 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4665 -7.3609 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1662 -5.7878 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4890 -5.1488 -1.9075 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1273 -6.3917 -0.8460 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9689 -6.3181 0.3368 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8501 -7.5276 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0207 -8.7711 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5904 -9.1727 1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8103 -10.3297 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4671 -11.0749 0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3007 -12.2135 1.0432 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8948 -10.6797 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 -9.5388 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 -5.0124 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7369 -4.1529 1.0588 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8654 -4.5010 0.3608 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6245 -3.9835 -0.7430 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9018 -3.8659 -2.0522 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9113 -3.2515 -3.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -5.1986 -2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8888 -4.7343 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7795 -6.0112 -0.8676 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1617 -4.2591 -1.2748 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1202 -4.5669 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3631 -3.1555 -2.8555 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.7097 -3.1384 -3.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2689 -2.2879 -1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9568 -3.2834 -0.5398 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3180 -2.7788 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0083 -3.7490 1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0246 -1.4436 1.0405 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8622 -0.3582 1.3935 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.0225 -0.6934 2.3038 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.0054 -1.6658 1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4212 -1.2016 3.4794 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2393 0.5841 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4993 0.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5193 1.5334 -0.3801 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0291 2.8575 -0.0426 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4451 3.0374 1.3018 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3355 3.1287 2.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3629 2.1595 1.4397 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9821 3.9101 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7081 3.5202 -1.4843 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2190 5.2037 -0.0085 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4099 5.8559 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7657 6.4268 1.8405 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2990 6.6959 1.4495 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1319 8.0563 1.7178 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3184 6.3489 0.0134 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0781 6.1785 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2277 5.4945 -1.8040 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7854 6.6142 -0.4268 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3141 7.9702 -0.1953 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6168 8.5184 -1.4290 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1911 9.8146 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6570 8.7312 -2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9698 9.2576 -3.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7429 9.5205 -4.9007 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7462 9.4716 -3.7509 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4455 7.9440 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0840 7.9961 2.1134 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0467 7.8713 1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1781 6.8801 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0730 5.6378 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 5.0482 1.4933 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 5.0832 1.8232 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4557 5.3387 1.2752 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4198 4.8883 2.3318 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7990 5.4356 1.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0858 5.6209 3.5142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5573 4.6700 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2166 5.4755 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9215 3.4084 -0.4375 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1361 2.6682 -0.6004 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3804 3.3945 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3671 4.2070 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7508 4.8842 -2.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9947 5.7298 -1.1779 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9612 1.6091 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6564 2.0280 -2.8032 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1326 0.3040 -1.3344 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9741 -0.5949 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2534 0.9875 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4344 -0.4179 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3780 -0.7468 -2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9181 0.1802 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5801 -2.6980 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3811 -2.0957 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3135 -2.7611 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2400 -1.6548 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2815 -1.0370 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2178 0.2584 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3806 -0.4801 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4442 -1.8104 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1815 -0.0874 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0653 1.2520 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3746 0.5162 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9626 0.9807 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5256 -1.1224 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9697 -1.8757 1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9722 -1.7329 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0037 -2.6003 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5498 -0.6224 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6476 0.3313 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2701 -1.4029 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2870 -2.3358 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9245 -1.1368 -2.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6786 0.3931 -2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4932 0.2923 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3143 -2.4728 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6147 -1.7843 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4796 -2.7518 3.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8877 -3.6937 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9127 -4.3178 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0349 -4.9473 4.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9117 -6.2145 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3707 -4.5479 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0869 -6.7264 2.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5468 -4.9271 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6558 -5.4520 1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5614 -7.4388 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 -7.9789 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9956 -7.7344 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 -6.9026 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1870 -6.5001 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4882 -7.4260 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5174 -7.6848 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8215 -8.6382 2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 -10.6521 2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -12.2075 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -11.2862 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9768 -9.2530 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4589 -4.4280 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8742 -2.8943 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0781 -3.1601 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2921 -2.7323 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5196 -4.0263 -3.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4934 -2.5199 -2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0628 -5.3238 -3.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6655 -6.0360 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -5.1342 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0570 -4.9623 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7533 -5.2613 -3.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6861 -2.8176 -3.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9792 -4.0146 -3.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2617 -1.8048 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4836 -1.5144 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9173 -3.8240 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9573 -1.2501 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2307 0.2847 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5489 0.2285 2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8975 -1.7471 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2989 -1.5738 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5353 -2.6931 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1047 -1.5095 4.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2921 1.2423 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 3.0330 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9068 4.0441 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3924 2.9318 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2013 4.0738 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0268 2.3335 3.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8651 2.1704 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7045 6.6693 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2567 5.2271 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3201 7.3672 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8457 5.7075 2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5958 6.1541 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4329 8.5414 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8456 7.2320 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0143 5.8768 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1768 8.6712 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 7.8824 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4922 9.6872 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2592 7.8504 -2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3320 9.5355 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7330 9.2172 -4.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3365 10.0383 -5.7119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 8.6550 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4831 6.5401 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1826 7.3576 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0140 4.4601 2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 6.4447 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4076 3.8448 2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8032 5.7412 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0389 6.3348 2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5786 4.6598 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4826 5.0909 4.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0605 2.7696 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3678 2.0777 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9062 3.9077 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1331 2.5507 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2655 3.6316 -3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6652 5.0563 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5309 4.0982 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8144 5.4897 -3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7997 5.4382 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0218 6.7488 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
20 22 1 0
19 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
26 28 1 0
28 29 2 0
28 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 2 0
34 35 1 0
35 36 2 0
36 37 1 0
36 38 1 0
38 39 2 0
31 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
44 46 1 0
43 47 1 0
47 48 2 0
47 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 2 0
55 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
59 61 1 0
58 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
66 67 1 0
66 68 1 0
65 69 1 0
69 70 2 0
69 71 1 0
71 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
74 76 1 0
76 77 1 0
77 78 2 0
77 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
81 83 1 0
83 84 1 0
84 85 1 0
84 86 2 0
80 87 1 0
87 88 2 0
87 89 1 0
89 90 1 0
90 91 1 0
91 92 2 0
91 93 1 0
93 94 1 0
94 95 1 0
95 96 1 0
95 97 1 0
94 98 1 0
98 99 2 0
98100 1 0
100101 1 0
101102 1 0
102103 1 0
103104 1 0
104105 1 0
101106 1 0
106107 2 0
106108 1 0
108 14 1 0
39 33 1 0
54 49 1 0
76 71 1 0
1109 1 0
1110 1 0
1111 1 0
2112 1 0
2113 1 0
3114 1 0
3115 1 0
4116 1 0
4117 1 0
5118 1 0
5119 1 0
6120 1 0
6121 1 0
7122 1 0
7123 1 0
8124 1 0
8125 1 0
9126 1 0
9127 1 0
10128 1 0
10129 1 0
11130 1 0
11131 1 0
12132 1 0
12133 1 0
13134 1 0
13135 1 0
14136 1 1
15137 1 0
15138 1 0
18139 1 0
19140 1 6
20141 1 1
21142 1 0
21143 1 0
21144 1 0
22145 1 0
25146 1 0
26147 1 1
27148 1 0
27149 1 0
27150 1 0
30151 1 0
31152 1 1
32153 1 0
32154 1 0
34155 1 0
35156 1 0
37157 1 0
38158 1 0
39159 1 0
42160 1 0
43161 1 1
44162 1 1
45163 1 0
45164 1 0
45165 1 0
46166 1 0
46167 1 0
46168 1 0
50169 1 0
50170 1 0
51171 1 6
52172 1 0
53173 1 0
53174 1 0
54175 1 1
57176 1 0
58177 1 1
59178 1 1
60179 1 0
60180 1 0
60181 1 0
61182 1 0
64183 1 0
65184 1 6
66185 1 6
67186 1 0
67187 1 0
67188 1 0
68189 1 0
72190 1 0
72191 1 0
73192 1 0
73193 1 0
74194 1 1
75195 1 0
76196 1 6
79197 1 0
80198 1 1
81199 1 6
82200 1 0
83201 1 0
83202 1 0
85203 1 0
85204 1 0
89205 1 0
90206 1 0
90207 1 0
93208 1 0
94209 1 6
95210 1 1
96211 1 0
96212 1 0
96213 1 0
97214 1 0
100215 1 0
101216 1 1
102217 1 0
102218 1 0
103219 1 0
103220 1 0
104221 1 0
104222 1 0
105223 1 0
105224 1 0
M END
PDB for NP0003546 (FR901469)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 16.355 -0.111 -0.549 0.00 0.00 C+0 HETATM 2 C UNK 0 15.638 -0.564 -1.815 0.00 0.00 C+0 HETATM 3 C UNK 0 14.903 -1.870 -1.595 0.00 0.00 C+0 HETATM 4 C UNK 0 13.857 -1.776 -0.520 0.00 0.00 C+0 HETATM 5 C UNK 0 12.789 -0.742 -0.858 0.00 0.00 C+0 HETATM 6 C UNK 0 11.831 -0.762 0.339 0.00 0.00 C+0 HETATM 7 C UNK 0 10.704 0.220 0.134 0.00 0.00 C+0 HETATM 8 C UNK 0 9.795 0.236 1.321 0.00 0.00 C+0 HETATM 9 C UNK 0 9.192 -1.093 1.561 0.00 0.00 C+0 HETATM 10 C UNK 0 8.370 -1.567 0.408 0.00 0.00 C+0 HETATM 11 C UNK 0 7.198 -0.630 0.080 0.00 0.00 C+0 HETATM 12 C UNK 0 6.476 -1.292 -1.071 0.00 0.00 C+0 HETATM 13 C UNK 0 5.292 -0.560 -1.581 0.00 0.00 C+0 HETATM 14 C UNK 0 4.193 -0.295 -0.606 0.00 0.00 C+0 HETATM 15 C UNK 0 3.684 -1.649 -0.086 0.00 0.00 C+0 HETATM 16 C UNK 0 3.733 -1.625 1.386 0.00 0.00 C+0 HETATM 17 O UNK 0 3.724 -0.480 1.955 0.00 0.00 O+0 HETATM 18 N UNK 0 3.789 -2.762 2.233 0.00 0.00 N+0 HETATM 19 C UNK 0 2.975 -3.946 2.087 0.00 0.00 C+0 HETATM 20 C UNK 0 3.250 -4.849 3.284 0.00 0.00 C+0 HETATM 21 C UNK 0 4.716 -5.138 3.421 0.00 0.00 C+0 HETATM 22 O UNK 0 2.491 -6.020 3.213 0.00 0.00 O+0 HETATM 23 C UNK 0 3.293 -4.705 0.846 0.00 0.00 C+0 HETATM 24 O UNK 0 4.530 -4.958 0.646 0.00 0.00 O+0 HETATM 25 N UNK 0 2.340 -5.151 -0.096 0.00 0.00 N+0 HETATM 26 C UNK 0 1.132 -5.880 0.236 0.00 0.00 C+0 HETATM 27 C UNK 0 1.466 -7.361 0.440 0.00 0.00 C+0 HETATM 28 C UNK 0 0.166 -5.788 -0.876 0.00 0.00 C+0 HETATM 29 O UNK 0 0.489 -5.149 -1.908 0.00 0.00 O+0 HETATM 30 N UNK 0 -1.127 -6.392 -0.846 0.00 0.00 N+0 HETATM 31 C UNK 0 -1.969 -6.318 0.337 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.850 -7.528 0.492 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.021 -8.771 0.602 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.590 -9.173 1.847 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.810 -10.330 1.988 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.467 -11.075 0.890 0.00 0.00 C+0 HETATM 37 O UNK 0 0.301 -12.213 1.043 0.00 0.00 O+0 HETATM 38 C UNK 0 -0.895 -10.680 -0.362 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.662 -9.539 -0.484 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.608 -5.012 0.554 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.737 -4.153 1.059 0.00 0.00 O+0 HETATM 42 N UNK 0 -3.865 -4.501 0.361 0.00 0.00 N+0 HETATM 43 C UNK 0 -4.625 -3.983 -0.743 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.902 -3.866 -2.052 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.911 -3.252 -3.044 0.00 0.00 C+0 HETATM 46 C UNK 0 -3.549 -5.199 -2.679 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.889 -4.734 -0.970 0.00 0.00 C+0 HETATM 48 O UNK 0 -5.779 -6.011 -0.868 0.00 0.00 O+0 HETATM 49 N UNK 0 -7.162 -4.259 -1.275 0.00 0.00 N+0 HETATM 50 C UNK 0 -8.120 -4.567 -2.372 0.00 0.00 C+0 HETATM 51 C UNK 0 -8.363 -3.155 -2.856 0.00 0.00 C+0 HETATM 52 O UNK 0 -9.710 -3.138 -3.288 0.00 0.00 O+0 HETATM 53 C UNK 0 -8.269 -2.288 -1.597 0.00 0.00 C+0 HETATM 54 C UNK 0 -7.957 -3.283 -0.540 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.318 -2.779 0.680 0.00 0.00 C+0 HETATM 56 O UNK 0 -7.008 -3.749 1.487 0.00 0.00 O+0 HETATM 57 N UNK 0 -7.025 -1.444 1.040 0.00 0.00 N+0 HETATM 58 C UNK 0 -7.862 -0.358 1.393 0.00 0.00 C+0 HETATM 59 C UNK 0 -9.023 -0.693 2.304 0.00 0.00 C+0 HETATM 60 C UNK 0 -10.005 -1.666 1.771 0.00 0.00 C+0 HETATM 61 O UNK 0 -8.421 -1.202 3.479 0.00 0.00 O+0 HETATM 62 C UNK 0 -8.239 0.584 0.316 0.00 0.00 C+0 HETATM 63 O UNK 0 -9.499 0.453 0.000 0.00 0.00 O+0 HETATM 64 N UNK 0 -7.519 1.533 -0.380 0.00 0.00 N+0 HETATM 65 C UNK 0 -7.029 2.857 -0.043 0.00 0.00 C+0 HETATM 66 C UNK 0 -6.445 3.037 1.302 0.00 0.00 C+0 HETATM 67 C UNK 0 -7.335 3.129 2.471 0.00 0.00 C+0 HETATM 68 O UNK 0 -5.363 2.159 1.440 0.00 0.00 O+0 HETATM 69 C UNK 0 -7.982 3.910 -0.481 0.00 0.00 C+0 HETATM 70 O UNK 0 -8.708 3.520 -1.484 0.00 0.00 O+0 HETATM 71 N UNK 0 -8.219 5.204 -0.009 0.00 0.00 N+0 HETATM 72 C UNK 0 -9.410 5.856 0.586 0.00 0.00 C+0 HETATM 73 C UNK 0 -8.766 6.427 1.841 0.00 0.00 C+0 HETATM 74 C UNK 0 -7.299 6.696 1.450 0.00 0.00 C+0 HETATM 75 O UNK 0 -7.132 8.056 1.718 0.00 0.00 O+0 HETATM 76 C UNK 0 -7.318 6.349 0.013 0.00 0.00 C+0 HETATM 77 C UNK 0 -6.078 6.178 -0.706 0.00 0.00 C+0 HETATM 78 O UNK 0 -6.228 5.495 -1.804 0.00 0.00 O+0 HETATM 79 N UNK 0 -4.785 6.614 -0.427 0.00 0.00 N+0 HETATM 80 C UNK 0 -4.314 7.970 -0.195 0.00 0.00 C+0 HETATM 81 C UNK 0 -3.617 8.518 -1.429 0.00 0.00 C+0 HETATM 82 O UNK 0 -3.191 9.815 -1.106 0.00 0.00 O+0 HETATM 83 C UNK 0 -4.657 8.731 -2.540 0.00 0.00 C+0 HETATM 84 C UNK 0 -3.970 9.258 -3.740 0.00 0.00 C+0 HETATM 85 N UNK 0 -4.743 9.521 -4.901 0.00 0.00 N+0 HETATM 86 O UNK 0 -2.746 9.472 -3.751 0.00 0.00 O+0 HETATM 87 C UNK 0 -3.446 7.944 0.998 0.00 0.00 C+0 HETATM 88 O UNK 0 -4.084 7.996 2.113 0.00 0.00 O+0 HETATM 89 N UNK 0 -2.047 7.871 1.057 0.00 0.00 N+0 HETATM 90 C UNK 0 -1.178 6.880 0.480 0.00 0.00 C+0 HETATM 91 C UNK 0 -1.073 5.638 1.288 0.00 0.00 C+0 HETATM 92 O UNK 0 -2.193 5.048 1.493 0.00 0.00 O+0 HETATM 93 N UNK 0 0.098 5.083 1.823 0.00 0.00 N+0 HETATM 94 C UNK 0 1.456 5.339 1.275 0.00 0.00 C+0 HETATM 95 C UNK 0 2.420 4.888 2.332 0.00 0.00 C+0 HETATM 96 C UNK 0 3.799 5.436 1.955 0.00 0.00 C+0 HETATM 97 O UNK 0 2.086 5.621 3.514 0.00 0.00 O+0 HETATM 98 C UNK 0 1.557 4.670 -0.035 0.00 0.00 C+0 HETATM 99 O UNK 0 1.217 5.476 -1.012 0.00 0.00 O+0 HETATM 100 N UNK 0 1.922 3.408 -0.438 0.00 0.00 N+0 HETATM 101 C UNK 0 3.136 2.668 -0.600 0.00 0.00 C+0 HETATM 102 C UNK 0 4.380 3.394 -0.926 0.00 0.00 C+0 HETATM 103 C UNK 0 4.367 4.207 -2.198 0.00 0.00 C+0 HETATM 104 C UNK 0 5.751 4.884 -2.325 0.00 0.00 C+0 HETATM 105 N UNK 0 5.995 5.730 -1.178 0.00 0.00 N+0 HETATM 106 C UNK 0 2.961 1.609 -1.658 0.00 0.00 C+0 HETATM 107 O UNK 0 2.656 2.028 -2.803 0.00 0.00 O+0 HETATM 108 O UNK 0 3.133 0.304 -1.334 0.00 0.00 O+0 HETATM 109 H UNK 0 15.974 -0.595 0.352 0.00 0.00 H+0 HETATM 110 H UNK 0 16.253 0.988 -0.487 0.00 0.00 H+0 HETATM 111 H UNK 0 17.434 -0.418 -0.627 0.00 0.00 H+0 HETATM 112 H UNK 0 16.378 -0.747 -2.621 0.00 0.00 H+0 HETATM 113 H UNK 0 14.918 0.180 -2.172 0.00 0.00 H+0 HETATM 114 H UNK 0 15.580 -2.698 -1.354 0.00 0.00 H+0 HETATM 115 H UNK 0 14.381 -2.096 -2.554 0.00 0.00 H+0 HETATM 116 H UNK 0 13.313 -2.761 -0.527 0.00 0.00 H+0 HETATM 117 H UNK 0 14.240 -1.655 0.496 0.00 0.00 H+0 HETATM 118 H UNK 0 12.281 -1.037 -1.774 0.00 0.00 H+0 HETATM 119 H UNK 0 13.218 0.258 -0.988 0.00 0.00 H+0 HETATM 120 H UNK 0 12.381 -0.480 1.234 0.00 0.00 H+0 HETATM 121 H UNK 0 11.444 -1.810 0.374 0.00 0.00 H+0 HETATM 122 H UNK 0 10.181 -0.087 -0.799 0.00 0.00 H+0 HETATM 123 H UNK 0 11.065 1.252 -0.024 0.00 0.00 H+0 HETATM 124 H UNK 0 10.375 0.516 2.233 0.00 0.00 H+0 HETATM 125 H UNK 0 8.963 0.981 1.189 0.00 0.00 H+0 HETATM 126 H UNK 0 8.526 -1.122 2.460 0.00 0.00 H+0 HETATM 127 H UNK 0 9.970 -1.876 1.738 0.00 0.00 H+0 HETATM 128 H UNK 0 8.972 -1.733 -0.531 0.00 0.00 H+0 HETATM 129 H UNK 0 8.004 -2.600 0.657 0.00 0.00 H+0 HETATM 130 H UNK 0 6.550 -0.622 0.958 0.00 0.00 H+0 HETATM 131 H UNK 0 7.648 0.331 -0.206 0.00 0.00 H+0 HETATM 132 H UNK 0 7.270 -1.403 -1.870 0.00 0.00 H+0 HETATM 133 H UNK 0 6.287 -2.336 -0.749 0.00 0.00 H+0 HETATM 134 H UNK 0 4.925 -1.137 -2.477 0.00 0.00 H+0 HETATM 135 H UNK 0 5.679 0.393 -2.051 0.00 0.00 H+0 HETATM 136 H UNK 0 4.493 0.292 0.259 0.00 0.00 H+0 HETATM 137 H UNK 0 4.314 -2.473 -0.461 0.00 0.00 H+0 HETATM 138 H UNK 0 2.615 -1.784 -0.368 0.00 0.00 H+0 HETATM 139 H UNK 0 4.480 -2.752 3.045 0.00 0.00 H+0 HETATM 140 H UNK 0 1.888 -3.694 2.130 0.00 0.00 H+0 HETATM 141 H UNK 0 2.913 -4.318 4.196 0.00 0.00 H+0 HETATM 142 H UNK 0 5.035 -4.947 4.467 0.00 0.00 H+0 HETATM 143 H UNK 0 4.912 -6.215 3.229 0.00 0.00 H+0 HETATM 144 H UNK 0 5.371 -4.548 2.777 0.00 0.00 H+0 HETATM 145 H UNK 0 3.087 -6.726 2.856 0.00 0.00 H+0 HETATM 146 H UNK 0 2.547 -4.927 -1.117 0.00 0.00 H+0 HETATM 147 H UNK 0 0.656 -5.452 1.139 0.00 0.00 H+0 HETATM 148 H UNK 0 2.561 -7.439 0.556 0.00 0.00 H+0 HETATM 149 H UNK 0 1.172 -7.979 -0.423 0.00 0.00 H+0 HETATM 150 H UNK 0 0.996 -7.734 1.383 0.00 0.00 H+0 HETATM 151 H UNK 0 -1.475 -6.903 -1.678 0.00 0.00 H+0 HETATM 152 H UNK 0 -1.187 -6.500 1.178 0.00 0.00 H+0 HETATM 153 H UNK 0 -3.488 -7.426 1.404 0.00 0.00 H+0 HETATM 154 H UNK 0 -3.517 -7.685 -0.349 0.00 0.00 H+0 HETATM 155 H UNK 0 -1.821 -8.638 2.756 0.00 0.00 H+0 HETATM 156 H UNK 0 -0.466 -10.652 2.956 0.00 0.00 H+0 HETATM 157 H UNK 0 1.318 -12.207 1.014 0.00 0.00 H+0 HETATM 158 H UNK 0 -0.611 -11.286 -1.219 0.00 0.00 H+0 HETATM 159 H UNK 0 -1.977 -9.253 -1.475 0.00 0.00 H+0 HETATM 160 H UNK 0 -4.459 -4.428 1.280 0.00 0.00 H+0 HETATM 161 H UNK 0 -4.874 -2.894 -0.486 0.00 0.00 H+0 HETATM 162 H UNK 0 -3.078 -3.160 -1.979 0.00 0.00 H+0 HETATM 163 H UNK 0 -4.292 -2.732 -3.814 0.00 0.00 H+0 HETATM 164 H UNK 0 -5.520 -4.026 -3.513 0.00 0.00 H+0 HETATM 165 H UNK 0 -5.493 -2.520 -2.487 0.00 0.00 H+0 HETATM 166 H UNK 0 -4.063 -5.324 -3.640 0.00 0.00 H+0 HETATM 167 H UNK 0 -3.666 -6.036 -1.994 0.00 0.00 H+0 HETATM 168 H UNK 0 -2.452 -5.134 -2.940 0.00 0.00 H+0 HETATM 169 H UNK 0 -9.057 -4.962 -1.890 0.00 0.00 H+0 HETATM 170 H UNK 0 -7.753 -5.261 -3.105 0.00 0.00 H+0 HETATM 171 H UNK 0 -7.686 -2.818 -3.637 0.00 0.00 H+0 HETATM 172 H UNK 0 -9.979 -4.015 -3.616 0.00 0.00 H+0 HETATM 173 H UNK 0 -9.262 -1.805 -1.408 0.00 0.00 H+0 HETATM 174 H UNK 0 -7.484 -1.514 -1.680 0.00 0.00 H+0 HETATM 175 H UNK 0 -8.917 -3.824 -0.321 0.00 0.00 H+0 HETATM 176 H UNK 0 -5.957 -1.250 1.054 0.00 0.00 H+0 HETATM 177 H UNK 0 -7.231 0.285 2.097 0.00 0.00 H+0 HETATM 178 H UNK 0 -9.549 0.229 2.608 0.00 0.00 H+0 HETATM 179 H UNK 0 -10.898 -1.747 2.460 0.00 0.00 H+0 HETATM 180 H UNK 0 -10.299 -1.574 0.728 0.00 0.00 H+0 HETATM 181 H UNK 0 -9.535 -2.693 1.859 0.00 0.00 H+0 HETATM 182 H UNK 0 -9.105 -1.510 4.117 0.00 0.00 H+0 HETATM 183 H UNK 0 -7.292 1.242 -1.393 0.00 0.00 H+0 HETATM 184 H UNK 0 -6.126 3.033 -0.728 0.00 0.00 H+0 HETATM 185 H UNK 0 -5.907 4.044 1.262 0.00 0.00 H+0 HETATM 186 H UNK 0 -8.392 2.932 2.251 0.00 0.00 H+0 HETATM 187 H UNK 0 -7.201 4.074 3.081 0.00 0.00 H+0 HETATM 188 H UNK 0 -7.027 2.333 3.220 0.00 0.00 H+0 HETATM 189 H UNK 0 -4.865 2.170 0.565 0.00 0.00 H+0 HETATM 190 H UNK 0 -9.704 6.669 -0.116 0.00 0.00 H+0 HETATM 191 H UNK 0 -10.257 5.227 0.760 0.00 0.00 H+0 HETATM 192 H UNK 0 -9.320 7.367 2.043 0.00 0.00 H+0 HETATM 193 H UNK 0 -8.846 5.707 2.676 0.00 0.00 H+0 HETATM 194 H UNK 0 -6.596 6.154 2.080 0.00 0.00 H+0 HETATM 195 H UNK 0 -7.433 8.541 0.899 0.00 0.00 H+0 HETATM 196 H UNK 0 -7.846 7.232 -0.494 0.00 0.00 H+0 HETATM 197 H UNK 0 -4.014 5.877 -0.373 0.00 0.00 H+0 HETATM 198 H UNK 0 -5.177 8.671 -0.050 0.00 0.00 H+0 HETATM 199 H UNK 0 -2.859 7.882 -1.860 0.00 0.00 H+0 HETATM 200 H UNK 0 -2.492 9.687 -0.411 0.00 0.00 H+0 HETATM 201 H UNK 0 -5.259 7.850 -2.720 0.00 0.00 H+0 HETATM 202 H UNK 0 -5.332 9.536 -2.121 0.00 0.00 H+0 HETATM 203 H UNK 0 -5.733 9.217 -4.999 0.00 0.00 H+0 HETATM 204 H UNK 0 -4.337 10.038 -5.712 0.00 0.00 H+0 HETATM 205 H UNK 0 -1.563 8.655 1.609 0.00 0.00 H+0 HETATM 206 H UNK 0 -1.483 6.540 -0.535 0.00 0.00 H+0 HETATM 207 H UNK 0 -0.183 7.358 0.334 0.00 0.00 H+0 HETATM 208 H UNK 0 -0.014 4.460 2.654 0.00 0.00 H+0 HETATM 209 H UNK 0 1.472 6.445 1.155 0.00 0.00 H+0 HETATM 210 H UNK 0 2.408 3.845 2.594 0.00 0.00 H+0 HETATM 211 H UNK 0 3.803 5.741 0.895 0.00 0.00 H+0 HETATM 212 H UNK 0 4.039 6.335 2.535 0.00 0.00 H+0 HETATM 213 H UNK 0 4.579 4.660 2.104 0.00 0.00 H+0 HETATM 214 H UNK 0 1.483 5.091 4.077 0.00 0.00 H+0 HETATM 215 H UNK 0 1.061 2.770 -0.737 0.00 0.00 H+0 HETATM 216 H UNK 0 3.368 2.078 0.351 0.00 0.00 H+0 HETATM 217 H UNK 0 4.906 3.908 -0.112 0.00 0.00 H+0 HETATM 218 H UNK 0 5.133 2.551 -1.184 0.00 0.00 H+0 HETATM 219 H UNK 0 4.266 3.632 -3.116 0.00 0.00 H+0 HETATM 220 H UNK 0 3.665 5.056 -2.121 0.00 0.00 H+0 HETATM 221 H UNK 0 6.531 4.098 -2.307 0.00 0.00 H+0 HETATM 222 H UNK 0 5.814 5.490 -3.249 0.00 0.00 H+0 HETATM 223 H UNK 0 6.800 5.438 -0.590 0.00 0.00 H+0 HETATM 224 H UNK 0 6.022 6.749 -1.390 0.00 0.00 H+0 CONECT 1 2 109 110 111 CONECT 2 1 3 112 113 CONECT 3 2 4 114 115 CONECT 4 3 5 116 117 CONECT 5 4 6 118 119 CONECT 6 5 7 120 121 CONECT 7 6 8 122 123 CONECT 8 7 9 124 125 CONECT 9 8 10 126 127 CONECT 10 9 11 128 129 CONECT 11 10 12 130 131 CONECT 12 11 13 132 133 CONECT 13 12 14 134 135 CONECT 14 13 15 108 136 CONECT 15 14 16 137 138 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 139 CONECT 19 18 20 23 140 CONECT 20 19 21 22 141 CONECT 21 20 142 143 144 CONECT 22 20 145 CONECT 23 19 24 25 CONECT 24 23 CONECT 25 23 26 146 CONECT 26 25 27 28 147 CONECT 27 26 148 149 150 CONECT 28 26 29 30 CONECT 29 28 CONECT 30 28 31 151 CONECT 31 30 32 40 152 CONECT 32 31 33 153 154 CONECT 33 32 34 39 CONECT 34 33 35 155 CONECT 35 34 36 156 CONECT 36 35 37 38 CONECT 37 36 157 CONECT 38 36 39 158 CONECT 39 38 33 159 CONECT 40 31 41 42 CONECT 41 40 CONECT 42 40 43 160 CONECT 43 42 44 47 161 CONECT 44 43 45 46 162 CONECT 45 44 163 164 165 CONECT 46 44 166 167 168 CONECT 47 43 48 49 CONECT 48 47 CONECT 49 47 50 54 CONECT 50 49 51 169 170 CONECT 51 50 52 53 171 CONECT 52 51 172 CONECT 53 51 54 173 174 CONECT 54 53 55 49 175 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 176 CONECT 58 57 59 62 177 CONECT 59 58 60 61 178 CONECT 60 59 179 180 181 CONECT 61 59 182 CONECT 62 58 63 64 CONECT 63 62 CONECT 64 62 65 183 CONECT 65 64 66 69 184 CONECT 66 65 67 68 185 CONECT 67 66 186 187 188 CONECT 68 66 189 CONECT 69 65 70 71 CONECT 70 69 CONECT 71 69 72 76 CONECT 72 71 73 190 191 CONECT 73 72 74 192 193 CONECT 74 73 75 76 194 CONECT 75 74 195 CONECT 76 74 77 71 196 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 80 197 CONECT 80 79 81 87 198 CONECT 81 80 82 83 199 CONECT 82 81 200 CONECT 83 81 84 201 202 CONECT 84 83 85 86 CONECT 85 84 203 204 CONECT 86 84 CONECT 87 80 88 89 CONECT 88 87 CONECT 89 87 90 205 CONECT 90 89 91 206 207 CONECT 91 90 92 93 CONECT 92 91 CONECT 93 91 94 208 CONECT 94 93 95 98 209 CONECT 95 94 96 97 210 CONECT 96 95 211 212 213 CONECT 97 95 214 CONECT 98 94 99 100 CONECT 99 98 CONECT 100 98 101 215 CONECT 101 100 102 106 216 CONECT 102 101 103 217 218 CONECT 103 102 104 219 220 CONECT 104 103 105 221 222 CONECT 105 104 223 224 CONECT 106 101 107 108 CONECT 107 106 CONECT 108 106 14 CONECT 109 1 CONECT 110 1 CONECT 111 1 CONECT 112 2 CONECT 113 2 CONECT 114 3 CONECT 115 3 CONECT 116 4 CONECT 117 4 CONECT 118 5 CONECT 119 5 CONECT 120 6 CONECT 121 6 CONECT 122 7 CONECT 123 7 CONECT 124 8 CONECT 125 8 CONECT 126 9 CONECT 127 9 CONECT 128 10 CONECT 129 10 CONECT 130 11 CONECT 131 11 CONECT 132 12 CONECT 133 12 CONECT 134 13 CONECT 135 13 CONECT 136 14 CONECT 137 15 CONECT 138 15 CONECT 139 18 CONECT 140 19 CONECT 141 20 CONECT 142 21 CONECT 143 21 CONECT 144 21 CONECT 145 22 CONECT 146 25 CONECT 147 26 CONECT 148 27 CONECT 149 27 CONECT 150 27 CONECT 151 30 CONECT 152 31 CONECT 153 32 CONECT 154 32 CONECT 155 34 CONECT 156 35 CONECT 157 37 CONECT 158 38 CONECT 159 39 CONECT 160 42 CONECT 161 43 CONECT 162 44 CONECT 163 45 CONECT 164 45 CONECT 165 45 CONECT 166 46 CONECT 167 46 CONECT 168 46 CONECT 169 50 CONECT 170 50 CONECT 171 51 CONECT 172 52 CONECT 173 53 CONECT 174 53 CONECT 175 54 CONECT 176 57 CONECT 177 58 CONECT 178 59 CONECT 179 60 CONECT 180 60 CONECT 181 60 CONECT 182 61 CONECT 183 64 CONECT 184 65 CONECT 185 66 CONECT 186 67 CONECT 187 67 CONECT 188 67 CONECT 189 68 CONECT 190 72 CONECT 191 72 CONECT 192 73 CONECT 193 73 CONECT 194 74 CONECT 195 75 CONECT 196 76 CONECT 197 79 CONECT 198 80 CONECT 199 81 CONECT 200 82 CONECT 201 83 CONECT 202 83 CONECT 203 85 CONECT 204 85 CONECT 205 89 CONECT 206 90 CONECT 207 90 CONECT 208 93 CONECT 209 94 CONECT 210 95 CONECT 211 96 CONECT 212 96 CONECT 213 96 CONECT 214 97 CONECT 215 100 CONECT 216 101 CONECT 217 102 CONECT 218 102 CONECT 219 103 CONECT 220 103 CONECT 221 104 CONECT 222 104 CONECT 223 105 CONECT 224 105 MASTER 0 0 0 0 0 0 0 0 224 0 454 0 END SMILES for NP0003546 (FR901469)[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[C@]([H])(OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]3([H])N(C(=O)[C@@]([H])(N([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C3([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])O[H])[C@]([H])(O[H])C([H])([H])C(=O)N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0003546 (FR901469)InChI=1S/C71H116N14O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104)/t37-,38+,39-,40-,41-,44+,45-,46-,47-,48-,49+,50-,54+,55-,56+,57-,58-,59-,60+/m1/s1 3D Structure for NP0003546 (FR901469) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C71H116N14O23 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1533.7840 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1532.83378 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R)-3-[(3R,6R,9R,11S,15S,18R,21R,24R,28R,31R,34S,40R,43S,44S)-31-(3-aminopropyl)-11,44-dihydroxy-3,6,34-tris[(1R)-1-hydroxyethyl]-24-[(1S)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-15-(propan-2-yl)-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecaazatricyclo[41.3.0.0^{9,13}]hexatetracontan-40-yl]-3-hydroxypropanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R)-3-[(3R,6R,9R,11S,15S,18R,21R,24R,28R,31R,34S,40R,43S,44S)-31-(3-aminopropyl)-11,44-dihydroxy-3,6,34-tris[(1R)-1-hydroxyethyl]-24-[(1S)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-15-isopropyl-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecaazatricyclo[41.3.0.0^{9,13}]hexatetracontan-40-yl]-3-hydroxypropanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCCCC1CC(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(C(C)C)C(=O)N2CC(O)CC2C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)N2CCC(O)C2C(=O)NC(C(O)CC(N)=O)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CCCN)C(=O)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C71H116N14O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | LTLDDYQPSWDOBJ-UHFFFAOYSA-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 | NPA003047 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 7988406 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 9812655 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
