Showing NP-Card for Trichobrachin-IIA (NP0006248)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 03:16:49 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:54:15 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0006248 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Trichobrachin-IIA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Trichobrachin-IIA belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Trichobrachin-IIA is found in Trichoderma longibrachiatum. It was first documented in 2006 (PMID: 16541408). Based on a literature review very few articles have been published on Trichobrachin-IIA. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0006248 (Trichobrachin-IIA)
Mrv1652307012119043D
208208 0 0 0 0 999 V2000
22.7581 4.0369 3.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6317 3.4931 2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8182 4.3000 1.7015 O 0 0 0 0 0 0 0 0 0 0 0 0
21.5243 2.1096 1.9791 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4244 1.6309 1.1660 C 0 0 2 0 0 0 0 0 0 0 0 0
20.4803 2.1151 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1140 2.1831 1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2992 0.1464 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1396 -0.5192 1.8425 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2127 -0.4464 0.4841 N 0 0 0 0 0 0 0 0 0 0 0 0
18.9769 -1.8774 0.4793 C 0 0 2 0 0 0 0 0 0 0 0 0
19.2644 -2.5222 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5061 -2.0409 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0625 -1.3696 1.7281 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7200 -2.9309 0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0
15.2575 -3.0161 0.2478 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6968 -4.0313 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0081 -3.4402 1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7057 -1.6923 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5167 -0.6878 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3629 -1.3944 -0.3800 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0330 0.0065 -0.6997 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8510 0.2495 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6457 0.1666 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8657 -0.8278 -1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1430 1.4681 -1.5040 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7567 1.5033 -1.8910 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4725 2.9727 -2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3874 0.6256 -3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8765 1.4153 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1068 2.2892 0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8706 0.4386 -0.5834 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 0.3619 0.5123 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5733 -1.0391 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3066 1.1457 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6618 0.9811 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1419 1.7042 -1.1997 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4557 0.8065 0.1991 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1686 1.3002 -0.3104 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5656 0.7082 -1.4981 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1572 -0.6764 -1.7037 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1818 -1.7094 -1.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9529 -2.9749 -2.3383 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2336 -1.5434 -1.0651 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 1.5027 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6265 2.0329 1.8833 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8299 1.1788 0.7303 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 1.3002 1.6899 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3730 0.7105 3.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6498 2.7038 1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 0.4193 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 -0.3881 0.3495 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 0.4111 1.8835 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7117 -0.4150 1.5445 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6894 0.4040 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6592 0.9689 1.3546 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5503 0.5663 -0.6278 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5257 1.2694 -1.4305 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9800 1.6757 -2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1177 2.3963 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5215 0.1484 -1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5167 -0.8572 -0.9633 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3978 0.1505 -2.8342 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2475 -1.0394 -2.9756 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.1007 -1.1246 -1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0402 -0.2499 -0.8753 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9945 -2.2038 -1.6361 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.8969 -2.2936 -0.4203 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.8437 -3.6895 -0.0181 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.5420 -4.2571 1.1348 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1977 -3.6149 2.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.0104 -4.4092 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1180 -1.6448 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0303 -1.2105 -2.1435 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.3183 -1.4130 -0.2796 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.4790 -0.7283 -0.8552 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.6674 -1.3735 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6884 -1.1308 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.2685 0.6939 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1692 0.9942 -1.6214 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9893 1.8204 -0.5577 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6781 3.1876 -1.0200 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.7567 3.9610 0.2796 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.9089 3.3358 1.0035 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.9855 1.9260 0.4319 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.4089 1.6875 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.6902 1.7542 -1.2106 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.3033 1.4027 1.0233 N 0 0 0 0 0 0 0 0 0 0 0 0
-19.6618 1.0956 1.1483 C 0 0 1 0 0 0 0 0 0 0 0 0
-20.2429 1.6307 2.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4760 2.2518 3.1913 O 0 0 0 0 0 0 0 0 0 0 0 0
-21.5475 1.5213 2.7532 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.5668 1.0907 -0.0297 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.2642 0.0233 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.6331 2.4281 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6630 -1.8268 1.2173 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9636 -2.4015 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1530 -2.6214 2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5742 4.2726 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0786 3.3611 3.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4359 4.9925 3.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
22.2110 1.4484 2.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8813 1.3128 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4370 2.3236 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
21.1177 2.9963 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4738 1.3428 2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5944 2.7480 1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3909 2.8396 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5663 0.2053 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5674 -2.3660 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1576 -3.6275 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
18.6338 -2.1170 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
20.3600 -2.3868 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1537 -3.5164 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3801 -4.8909 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7338 -4.3659 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4281 -3.5501 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3358 -2.6914 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9240 -3.6398 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5568 -4.3973 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5809 -2.0690 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4432 0.7022 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1897 0.5918 -2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3858 -0.6620 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6091 1.0543 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8007 2.2555 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9585 3.0856 -3.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3847 3.0492 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8167 3.6528 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8984 1.0253 -3.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3070 0.6831 -3.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6738 -0.4250 -2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7960 -0.2616 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3260 -1.4241 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7109 -1.6915 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6179 -1.1649 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2123 2.2550 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7585 0.8481 2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3853 0.8806 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 0.1823 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 2.3819 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2057 1.0433 -2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6039 1.3443 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7404 -0.7460 -2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2339 -1.0203 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7999 -3.5054 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 -3.3637 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4533 0.8019 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4609 0.2279 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 1.5133 3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1557 -0.0291 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 3.0559 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2161 3.3964 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 2.7127 3.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7737 1.1198 2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2890 -0.4745 2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7183 0.2286 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8188 2.1356 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6383 0.7891 -3.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2062 2.4664 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0372 2.1360 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3736 3.1946 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3287 2.7893 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4329 0.9413 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7732 -0.9230 -3.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5403 -1.8987 -3.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0315 -2.9403 -2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4118 -1.5637 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7173 -3.9276 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0450 -4.3290 -0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1507 -5.3441 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1230 -3.6424 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9214 -2.5514 2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4413 -4.1767 3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5869 -3.8158 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3408 -5.4987 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4032 -4.1410 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4195 -1.7277 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4086 -2.4276 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0822 -0.8502 -3.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7632 -1.3012 -2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7427 -2.2891 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6841 -0.8690 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5714 -0.7769 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4144 3.5544 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6732 3.2821 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8122 3.9234 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9942 5.0541 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6896 3.2853 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8791 3.8726 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8363 1.2669 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.8113 1.4075 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6665 -0.1092 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.8706 0.7507 3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.6410 0.8378 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.0989 0.0069 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2954 -0.0083 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.3701 -0.9790 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.0969 3.2217 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.7063 2.7100 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2595 2.3061 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7524 -2.1946 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9957 -2.9192 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0028 -1.7843 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -3.3218 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2762 -3.7023 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7921 -2.3639 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1412 -2.2731 2.6801 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
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 6 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 6 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 1 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 6 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
39 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
48 51 1 6 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 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
58 60 1 0 0 0 0
58 61 1 6 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 2 0 0 0 0
65 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
68 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
76 79 1 6 0 0 0
79 80 2 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 2 0 0 0 0
90 92 1 0 0 0 0
89 93 1 0 0 0 0
93 94 1 0 0 0 0
93 95 1 0 0 0 0
54 96 1 0 0 0 0
96 97 1 0 0 0 0
96 98 1 0 0 0 0
85 81 1 0 0 0 0
1 99 1 0 0 0 0
1100 1 0 0 0 0
1101 1 0 0 0 0
4102 1 0 0 0 0
6103 1 0 0 0 0
6104 1 0 0 0 0
6105 1 0 0 0 0
7106 1 0 0 0 0
7107 1 0 0 0 0
7108 1 0 0 0 0
10109 1 0 0 0 0
11110 1 1 0 0 0
12111 1 0 0 0 0
12112 1 0 0 0 0
12113 1 0 0 0 0
15114 1 0 0 0 0
17115 1 0 0 0 0
17116 1 0 0 0 0
17117 1 0 0 0 0
18118 1 0 0 0 0
18119 1 0 0 0 0
18120 1 0 0 0 0
21121 1 0 0 0 0
22122 1 1 0 0 0
23123 1 0 0 0 0
23124 1 0 0 0 0
23125 1 0 0 0 0
26126 1 0 0 0 0
28127 1 0 0 0 0
28128 1 0 0 0 0
28129 1 0 0 0 0
29130 1 0 0 0 0
29131 1 0 0 0 0
29132 1 0 0 0 0
32133 1 0 0 0 0
34134 1 0 0 0 0
34135 1 0 0 0 0
34136 1 0 0 0 0
35137 1 0 0 0 0
35138 1 0 0 0 0
35139 1 0 0 0 0
38140 1 0 0 0 0
39141 1 6 0 0 0
40142 1 0 0 0 0
40143 1 0 0 0 0
41144 1 0 0 0 0
41145 1 0 0 0 0
43146 1 0 0 0 0
43147 1 0 0 0 0
47148 1 0 0 0 0
49149 1 0 0 0 0
49150 1 0 0 0 0
49151 1 0 0 0 0
50152 1 0 0 0 0
50153 1 0 0 0 0
50154 1 0 0 0 0
53155 1 0 0 0 0
54156 1 1 0 0 0
57157 1 0 0 0 0
59158 1 0 0 0 0
59159 1 0 0 0 0
59160 1 0 0 0 0
60161 1 0 0 0 0
60162 1 0 0 0 0
60163 1 0 0 0 0
63164 1 0 0 0 0
64165 1 0 0 0 0
64166 1 0 0 0 0
67167 1 0 0 0 0
68168 1 1 0 0 0
69169 1 0 0 0 0
69170 1 0 0 0 0
70171 1 1 0 0 0
71172 1 0 0 0 0
71173 1 0 0 0 0
71174 1 0 0 0 0
72175 1 0 0 0 0
72176 1 0 0 0 0
72177 1 0 0 0 0
75178 1 0 0 0 0
77179 1 0 0 0 0
77180 1 0 0 0 0
77181 1 0 0 0 0
78182 1 0 0 0 0
78183 1 0 0 0 0
78184 1 0 0 0 0
82185 1 0 0 0 0
82186 1 0 0 0 0
83187 1 0 0 0 0
83188 1 0 0 0 0
84189 1 0 0 0 0
84190 1 0 0 0 0
85191 1 1 0 0 0
88192 1 0 0 0 0
89193 1 1 0 0 0
92194 1 0 0 0 0
93195 1 1 0 0 0
94196 1 0 0 0 0
94197 1 0 0 0 0
94198 1 0 0 0 0
95199 1 0 0 0 0
95200 1 0 0 0 0
95201 1 0 0 0 0
96202 1 6 0 0 0
97203 1 0 0 0 0
97204 1 0 0 0 0
97205 1 0 0 0 0
98206 1 0 0 0 0
98207 1 0 0 0 0
98208 1 0 0 0 0
M END
3D MOL for NP0006248 (Trichobrachin-IIA)
RDKit 3D
208208 0 0 0 0 0 0 0 0999 V2000
22.7581 4.0369 3.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6317 3.4931 2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8182 4.3000 1.7015 O 0 0 0 0 0 0 0 0 0 0 0 0
21.5243 2.1096 1.9791 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4244 1.6309 1.1660 C 0 0 2 0 0 0 0 0 0 0 0 0
20.4803 2.1151 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1140 2.1831 1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2992 0.1464 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1396 -0.5192 1.8425 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2127 -0.4464 0.4841 N 0 0 0 0 0 0 0 0 0 0 0 0
18.9769 -1.8774 0.4793 C 0 0 2 0 0 0 0 0 0 0 0 0
19.2644 -2.5222 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5061 -2.0409 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0625 -1.3696 1.7281 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7200 -2.9309 0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0
15.2575 -3.0161 0.2478 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6968 -4.0313 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0081 -3.4402 1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7057 -1.6923 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5167 -0.6878 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3629 -1.3944 -0.3800 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0330 0.0065 -0.6997 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8510 0.2495 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6457 0.1666 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8657 -0.8278 -1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1430 1.4681 -1.5040 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7567 1.5033 -1.8910 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4725 2.9727 -2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3874 0.6256 -3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8765 1.4153 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1068 2.2892 0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8706 0.4386 -0.5834 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 0.3619 0.5123 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5733 -1.0391 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3066 1.1457 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6618 0.9811 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1419 1.7042 -1.1997 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4557 0.8065 0.1991 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1686 1.3002 -0.3104 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5656 0.7082 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1572 -0.6764 -1.7037 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1818 -1.7094 -1.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9529 -2.9749 -2.3383 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2336 -1.5434 -1.0651 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 1.5027 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6265 2.0329 1.8833 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8299 1.1788 0.7303 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 1.3002 1.6899 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3730 0.7105 3.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6498 2.7038 1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 0.4193 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 -0.3881 0.3495 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 0.4111 1.8835 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7117 -0.4150 1.5445 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6894 0.4040 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6592 0.9689 1.3546 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5503 0.5663 -0.6278 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5257 1.2694 -1.4305 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9800 1.6757 -2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1177 2.3963 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5215 0.1484 -1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5167 -0.8572 -0.9633 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3978 0.1505 -2.8342 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2475 -1.0394 -2.9756 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1007 -1.1246 -1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0402 -0.2499 -0.8753 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9945 -2.2038 -1.6361 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.8969 -2.2936 -0.4203 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.8437 -3.6895 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5420 -4.2571 1.1348 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1977 -3.6149 2.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.0104 -4.4092 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1180 -1.6448 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0303 -1.2105 -2.1435 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.3183 -1.4130 -0.2796 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.4790 -0.7283 -0.8552 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.6674 -1.3735 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6884 -1.1308 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.2685 0.6939 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1692 0.9942 -1.6214 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9893 1.8204 -0.5577 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6781 3.1876 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.7567 3.9610 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9089 3.3358 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9855 1.9260 0.4319 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.4089 1.6875 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.6902 1.7542 -1.2106 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.3033 1.4027 1.0233 N 0 0 0 0 0 0 0 0 0 0 0 0
-19.6618 1.0956 1.1483 C 0 0 1 0 0 0 0 0 0 0 0 0
-20.2429 1.6307 2.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4760 2.2518 3.1913 O 0 0 0 0 0 0 0 0 0 0 0 0
-21.5475 1.5213 2.7532 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.5668 1.0907 -0.0297 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.2642 0.0233 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.6331 2.4281 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6630 -1.8268 1.2173 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9636 -2.4015 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1530 -2.6214 2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5742 4.2726 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0786 3.3611 3.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4359 4.9925 3.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
22.2110 1.4484 2.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8813 1.3128 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4370 2.3236 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
21.1177 2.9963 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4738 1.3428 2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5944 2.7480 1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3909 2.8396 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5663 0.2053 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5674 -2.3660 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1576 -3.6275 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
18.6338 -2.1170 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
20.3600 -2.3868 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1537 -3.5164 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3801 -4.8909 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7338 -4.3659 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4281 -3.5501 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3358 -2.6914 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9240 -3.6398 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5568 -4.3973 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5809 -2.0690 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4432 0.7022 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1897 0.5918 -2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3858 -0.6620 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6091 1.0543 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8007 2.2555 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9585 3.0856 -3.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3847 3.0492 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8167 3.6528 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8984 1.0253 -3.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3070 0.6831 -3.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6738 -0.4250 -2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7960 -0.2616 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3260 -1.4241 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7109 -1.6915 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6179 -1.1649 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2123 2.2550 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7585 0.8481 2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3853 0.8806 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 0.1823 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 2.3819 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2057 1.0433 -2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6039 1.3443 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7404 -0.7460 -2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2339 -1.0203 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7999 -3.5054 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 -3.3637 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4533 0.8019 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4609 0.2279 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 1.5133 3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1557 -0.0291 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 3.0559 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2161 3.3964 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 2.7127 3.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7737 1.1198 2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2890 -0.4745 2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7183 0.2286 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8188 2.1356 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6383 0.7891 -3.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2062 2.4664 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0372 2.1360 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3736 3.1946 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3287 2.7893 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4329 0.9413 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7732 -0.9230 -3.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5403 -1.8987 -3.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0315 -2.9403 -2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4118 -1.5637 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7173 -3.9276 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0450 -4.3290 -0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1507 -5.3441 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1230 -3.6424 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9214 -2.5514 2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4413 -4.1767 3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5869 -3.8158 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3408 -5.4987 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4032 -4.1410 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4195 -1.7277 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4086 -2.4276 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0822 -0.8502 -3.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7632 -1.3012 -2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7427 -2.2891 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6841 -0.8690 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5714 -0.7769 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4144 3.5544 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6732 3.2821 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8122 3.9234 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9942 5.0541 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6896 3.2853 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8791 3.8726 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8363 1.2669 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.8113 1.4075 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6665 -0.1092 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.8706 0.7507 3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.6410 0.8378 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.0989 0.0069 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2954 -0.0083 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.3701 -0.9790 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.0969 3.2217 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.7063 2.7100 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2595 2.3061 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7524 -2.1946 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9957 -2.9192 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0028 -1.7843 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -3.3218 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2762 -3.7023 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7921 -2.3639 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1412 -2.2731 2.6801 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
5 7 1 0
5 8 1 6
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
11 13 1 0
13 14 2 0
13 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
16 19 1 6
19 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
24 25 2 0
24 26 1 0
26 27 1 0
27 28 1 0
27 29 1 0
27 30 1 1
30 31 2 0
30 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
33 36 1 6
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
42 44 2 0
39 45 1 0
45 46 2 0
45 47 1 0
47 48 1 0
48 49 1 0
48 50 1 0
48 51 1 6
51 52 2 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
58 60 1 0
58 61 1 6
61 62 2 0
61 63 1 0
63 64 1 0
64 65 1 0
65 66 2 0
65 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
68 73 1 0
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
76 78 1 0
76 79 1 6
79 80 2 0
79 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
84 85 1 0
85 86 1 0
86 87 2 0
86 88 1 0
88 89 1 0
89 90 1 0
90 91 2 0
90 92 1 0
89 93 1 0
93 94 1 0
93 95 1 0
54 96 1 0
96 97 1 0
96 98 1 0
85 81 1 0
1 99 1 0
1100 1 0
1101 1 0
4102 1 0
6103 1 0
6104 1 0
6105 1 0
7106 1 0
7107 1 0
7108 1 0
10109 1 0
11110 1 1
12111 1 0
12112 1 0
12113 1 0
15114 1 0
17115 1 0
17116 1 0
17117 1 0
18118 1 0
18119 1 0
18120 1 0
21121 1 0
22122 1 1
23123 1 0
23124 1 0
23125 1 0
26126 1 0
28127 1 0
28128 1 0
28129 1 0
29130 1 0
29131 1 0
29132 1 0
32133 1 0
34134 1 0
34135 1 0
34136 1 0
35137 1 0
35138 1 0
35139 1 0
38140 1 0
39141 1 6
40142 1 0
40143 1 0
41144 1 0
41145 1 0
43146 1 0
43147 1 0
47148 1 0
49149 1 0
49150 1 0
49151 1 0
50152 1 0
50153 1 0
50154 1 0
53155 1 0
54156 1 1
57157 1 0
59158 1 0
59159 1 0
59160 1 0
60161 1 0
60162 1 0
60163 1 0
63164 1 0
64165 1 0
64166 1 0
67167 1 0
68168 1 1
69169 1 0
69170 1 0
70171 1 1
71172 1 0
71173 1 0
71174 1 0
72175 1 0
72176 1 0
72177 1 0
75178 1 0
77179 1 0
77180 1 0
77181 1 0
78182 1 0
78183 1 0
78184 1 0
82185 1 0
82186 1 0
83187 1 0
83188 1 0
84189 1 0
84190 1 0
85191 1 1
88192 1 0
89193 1 1
92194 1 0
93195 1 1
94196 1 0
94197 1 0
94198 1 0
95199 1 0
95200 1 0
95201 1 0
96202 1 6
97203 1 0
97204 1 0
97205 1 0
98206 1 0
98207 1 0
98208 1 0
M END
3D SDF for NP0006248 (Trichobrachin-IIA)
Mrv1652307012119043D
208208 0 0 0 0 999 V2000
22.7581 4.0369 3.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6317 3.4931 2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8182 4.3000 1.7015 O 0 0 0 0 0 0 0 0 0 0 0 0
21.5243 2.1096 1.9791 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4244 1.6309 1.1660 C 0 0 2 0 0 0 0 0 0 0 0 0
20.4803 2.1151 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1140 2.1831 1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2992 0.1464 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1396 -0.5192 1.8425 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2127 -0.4464 0.4841 N 0 0 0 0 0 0 0 0 0 0 0 0
18.9769 -1.8774 0.4793 C 0 0 2 0 0 0 0 0 0 0 0 0
19.2644 -2.5222 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5061 -2.0409 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0625 -1.3696 1.7281 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7200 -2.9309 0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0
15.2575 -3.0161 0.2478 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6968 -4.0313 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0081 -3.4402 1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7057 -1.6923 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5167 -0.6878 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3629 -1.3944 -0.3800 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0330 0.0065 -0.6997 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8510 0.2495 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6457 0.1666 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8657 -0.8278 -1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1430 1.4681 -1.5040 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7567 1.5033 -1.8910 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4725 2.9727 -2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3874 0.6256 -3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8765 1.4153 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1068 2.2892 0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8706 0.4386 -0.5834 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 0.3619 0.5123 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5733 -1.0391 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3066 1.1457 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6618 0.9811 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1419 1.7042 -1.1997 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4557 0.8065 0.1991 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1686 1.3002 -0.3104 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5656 0.7082 -1.4981 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1572 -0.6764 -1.7037 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1818 -1.7094 -1.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9529 -2.9749 -2.3383 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2336 -1.5434 -1.0651 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 1.5027 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6265 2.0329 1.8833 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8299 1.1788 0.7303 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 1.3002 1.6899 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3730 0.7105 3.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6498 2.7038 1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 0.4193 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 -0.3881 0.3495 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 0.4111 1.8835 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7117 -0.4150 1.5445 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6894 0.4040 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6592 0.9689 1.3546 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5503 0.5663 -0.6278 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5257 1.2694 -1.4305 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9800 1.6757 -2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1177 2.3963 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5215 0.1484 -1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5167 -0.8572 -0.9633 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3978 0.1505 -2.8342 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2475 -1.0394 -2.9756 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.1007 -1.1246 -1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0402 -0.2499 -0.8753 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9945 -2.2038 -1.6361 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.8969 -2.2936 -0.4203 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.8437 -3.6895 -0.0181 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.5420 -4.2571 1.1348 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1977 -3.6149 2.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.0104 -4.4092 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1180 -1.6448 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0303 -1.2105 -2.1435 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.3183 -1.4130 -0.2796 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.4790 -0.7283 -0.8552 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.6674 -1.3735 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6884 -1.1308 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.2685 0.6939 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1692 0.9942 -1.6214 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9893 1.8204 -0.5577 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6781 3.1876 -1.0200 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.7567 3.9610 0.2796 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.9089 3.3358 1.0035 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.9855 1.9260 0.4319 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.4089 1.6875 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.6902 1.7542 -1.2106 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.3033 1.4027 1.0233 N 0 0 0 0 0 0 0 0 0 0 0 0
-19.6618 1.0956 1.1483 C 0 0 1 0 0 0 0 0 0 0 0 0
-20.2429 1.6307 2.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4760 2.2518 3.1913 O 0 0 0 0 0 0 0 0 0 0 0 0
-21.5475 1.5213 2.7532 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.5668 1.0907 -0.0297 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.2642 0.0233 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.6331 2.4281 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6630 -1.8268 1.2173 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9636 -2.4015 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1530 -2.6214 2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5742 4.2726 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0786 3.3611 3.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4359 4.9925 3.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
22.2110 1.4484 2.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8813 1.3128 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4370 2.3236 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
21.1177 2.9963 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4738 1.3428 2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5944 2.7480 1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3909 2.8396 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5663 0.2053 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5674 -2.3660 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1576 -3.6275 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
18.6338 -2.1170 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
20.3600 -2.3868 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1537 -3.5164 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3801 -4.8909 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7338 -4.3659 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4281 -3.5501 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3358 -2.6914 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9240 -3.6398 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5568 -4.3973 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5809 -2.0690 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4432 0.7022 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1897 0.5918 -2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3858 -0.6620 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6091 1.0543 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8007 2.2555 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9585 3.0856 -3.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3847 3.0492 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8167 3.6528 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8984 1.0253 -3.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3070 0.6831 -3.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6738 -0.4250 -2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7960 -0.2616 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3260 -1.4241 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7109 -1.6915 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6179 -1.1649 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2123 2.2550 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7585 0.8481 2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3853 0.8806 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 0.1823 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 2.3819 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2057 1.0433 -2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6039 1.3443 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7404 -0.7460 -2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2339 -1.0203 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7999 -3.5054 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 -3.3637 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4533 0.8019 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4609 0.2279 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 1.5133 3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1557 -0.0291 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 3.0559 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2161 3.3964 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 2.7127 3.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7737 1.1198 2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2890 -0.4745 2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7183 0.2286 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8188 2.1356 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6383 0.7891 -3.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2062 2.4664 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0372 2.1360 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3736 3.1946 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3287 2.7893 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4329 0.9413 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7732 -0.9230 -3.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5403 -1.8987 -3.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0315 -2.9403 -2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4118 -1.5637 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7173 -3.9276 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0450 -4.3290 -0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1507 -5.3441 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1230 -3.6424 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9214 -2.5514 2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4413 -4.1767 3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5869 -3.8158 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3408 -5.4987 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4032 -4.1410 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4195 -1.7277 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4086 -2.4276 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0822 -0.8502 -3.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7632 -1.3012 -2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7427 -2.2891 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6841 -0.8690 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5714 -0.7769 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4144 3.5544 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6732 3.2821 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8122 3.9234 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9942 5.0541 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6896 3.2853 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8791 3.8726 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8363 1.2669 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.8113 1.4075 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6665 -0.1092 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.8706 0.7507 3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.6410 0.8378 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.0989 0.0069 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2954 -0.0083 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.3701 -0.9790 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.0969 3.2217 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.7063 2.7100 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2595 2.3061 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7524 -2.1946 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9957 -2.9192 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0028 -1.7843 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -3.3218 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2762 -3.7023 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7921 -2.3639 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1412 -2.2731 2.6801 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
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 6 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 6 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 1 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 6 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
39 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
48 51 1 6 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 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
58 60 1 0 0 0 0
58 61 1 6 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 2 0 0 0 0
65 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
68 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
76 79 1 6 0 0 0
79 80 2 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 2 0 0 0 0
90 92 1 0 0 0 0
89 93 1 0 0 0 0
93 94 1 0 0 0 0
93 95 1 0 0 0 0
54 96 1 0 0 0 0
96 97 1 0 0 0 0
96 98 1 0 0 0 0
85 81 1 0 0 0 0
1 99 1 0 0 0 0
1100 1 0 0 0 0
1101 1 0 0 0 0
4102 1 0 0 0 0
6103 1 0 0 0 0
6104 1 0 0 0 0
6105 1 0 0 0 0
7106 1 0 0 0 0
7107 1 0 0 0 0
7108 1 0 0 0 0
10109 1 0 0 0 0
11110 1 1 0 0 0
12111 1 0 0 0 0
12112 1 0 0 0 0
12113 1 0 0 0 0
15114 1 0 0 0 0
17115 1 0 0 0 0
17116 1 0 0 0 0
17117 1 0 0 0 0
18118 1 0 0 0 0
18119 1 0 0 0 0
18120 1 0 0 0 0
21121 1 0 0 0 0
22122 1 1 0 0 0
23123 1 0 0 0 0
23124 1 0 0 0 0
23125 1 0 0 0 0
26126 1 0 0 0 0
28127 1 0 0 0 0
28128 1 0 0 0 0
28129 1 0 0 0 0
29130 1 0 0 0 0
29131 1 0 0 0 0
29132 1 0 0 0 0
32133 1 0 0 0 0
34134 1 0 0 0 0
34135 1 0 0 0 0
34136 1 0 0 0 0
35137 1 0 0 0 0
35138 1 0 0 0 0
35139 1 0 0 0 0
38140 1 0 0 0 0
39141 1 6 0 0 0
40142 1 0 0 0 0
40143 1 0 0 0 0
41144 1 0 0 0 0
41145 1 0 0 0 0
43146 1 0 0 0 0
43147 1 0 0 0 0
47148 1 0 0 0 0
49149 1 0 0 0 0
49150 1 0 0 0 0
49151 1 0 0 0 0
50152 1 0 0 0 0
50153 1 0 0 0 0
50154 1 0 0 0 0
53155 1 0 0 0 0
54156 1 1 0 0 0
57157 1 0 0 0 0
59158 1 0 0 0 0
59159 1 0 0 0 0
59160 1 0 0 0 0
60161 1 0 0 0 0
60162 1 0 0 0 0
60163 1 0 0 0 0
63164 1 0 0 0 0
64165 1 0 0 0 0
64166 1 0 0 0 0
67167 1 0 0 0 0
68168 1 1 0 0 0
69169 1 0 0 0 0
69170 1 0 0 0 0
70171 1 1 0 0 0
71172 1 0 0 0 0
71173 1 0 0 0 0
71174 1 0 0 0 0
72175 1 0 0 0 0
72176 1 0 0 0 0
72177 1 0 0 0 0
75178 1 0 0 0 0
77179 1 0 0 0 0
77180 1 0 0 0 0
77181 1 0 0 0 0
78182 1 0 0 0 0
78183 1 0 0 0 0
78184 1 0 0 0 0
82185 1 0 0 0 0
82186 1 0 0 0 0
83187 1 0 0 0 0
83188 1 0 0 0 0
84189 1 0 0 0 0
84190 1 0 0 0 0
85191 1 1 0 0 0
88192 1 0 0 0 0
89193 1 1 0 0 0
92194 1 0 0 0 0
93195 1 1 0 0 0
94196 1 0 0 0 0
94197 1 0 0 0 0
94198 1 0 0 0 0
95199 1 0 0 0 0
95200 1 0 0 0 0
95201 1 0 0 0 0
96202 1 6 0 0 0
97203 1 0 0 0 0
97204 1 0 0 0 0
97205 1 0 0 0 0
98206 1 0 0 0 0
98207 1 0 0 0 0
98208 1 0 0 0 0
M END
> <DATABASE_ID>
NP0006248
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)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])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)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])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C64H110N16O18/c1-31(2)29-38(47(87)77-64(22,23)57(98)80-28-24-25-39(80)48(88)71-43(33(5)6)50(90)91)69-41(83)30-66-51(92)58(10,11)78-49(89)42(32(3)4)72-55(96)61(16,17)76-46(86)37(26-27-40(65)82)70-54(95)62(18,19)79-56(97)63(20,21)75-45(85)35(8)68-53(94)60(14,15)74-44(84)34(7)67-52(93)59(12,13)73-36(9)81/h31-35,37-39,42-43H,24-30H2,1-23H3,(H2,65,82)(H,66,92)(H,67,93)(H,68,94)(H,69,83)(H,70,95)(H,71,88)(H,72,96)(H,73,81)(H,74,84)(H,75,85)(H,76,86)(H,77,87)(H,78,89)(H,79,97)(H,90,91)/t34-,35+,37+,38-,39+,42-,43-/m1/s1
> <INCHI_KEY>
XRDRZVACMTUBSJ-UHFFFAOYSA-N
> <FORMULA>
C64H110N16O18
> <MOLECULAR_WEIGHT>
1391.678
> <EXACT_MASS>
1390.818400766
> <JCHEM_ACCEPTOR_COUNT>
18
> <JCHEM_ATOM_COUNT>
208
> <JCHEM_AVERAGE_POLARIZABILITY>
150.37016290367075
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-2-{[(2S)-1-{2-[(2R)-2-{2-[2-(2-{2-[(2S)-4-carbamoyl-2-(2-{2-[(2S)-2-{2-[(2R)-2-(2-acetamido-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}-2-methylpropanamido)butanamido]-2-methylpropanamido}-3-methylbutanamido)-2-methylpropanamido]acetamido}-4-methylpentanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanoic acid
> <ALOGPS_LOGP>
1.52
> <JCHEM_LOGP>
-3.6688608566666665
> <ALOGPS_LOGS>
-4.98
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.526278130010308
> <JCHEM_PKA_STRONGEST_ACIDIC>
4.032840699201631
> <JCHEM_POLAR_SURFACE_AREA>
508.0999999999998
> <JCHEM_REFRACTIVITY>
352.5704000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
36
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.45e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-{[(2S)-1-{2-[(2R)-2-{2-[2-(2-{2-[(2S)-4-carbamoyl-2-(2-{2-[(2S)-2-{2-[(2R)-2-(2-acetamido-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}-2-methylpropanamido)butanamido]-2-methylpropanamido}-3-methylbutanamido)-2-methylpropanamido]acetamido}-4-methylpentanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0006248 (Trichobrachin-IIA)
RDKit 3D
208208 0 0 0 0 0 0 0 0999 V2000
22.7581 4.0369 3.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6317 3.4931 2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8182 4.3000 1.7015 O 0 0 0 0 0 0 0 0 0 0 0 0
21.5243 2.1096 1.9791 N 0 0 0 0 0 0 0 0 0 0 0 0
20.4244 1.6309 1.1660 C 0 0 2 0 0 0 0 0 0 0 0 0
20.4803 2.1151 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1140 2.1831 1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2992 0.1464 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1396 -0.5192 1.8425 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2127 -0.4464 0.4841 N 0 0 0 0 0 0 0 0 0 0 0 0
18.9769 -1.8774 0.4793 C 0 0 2 0 0 0 0 0 0 0 0 0
19.2644 -2.5222 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5061 -2.0409 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0625 -1.3696 1.7281 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7200 -2.9309 0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0
15.2575 -3.0161 0.2478 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6968 -4.0313 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0081 -3.4402 1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7057 -1.6923 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5167 -0.6878 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3629 -1.3944 -0.3800 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0330 0.0065 -0.6997 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8510 0.2495 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6457 0.1666 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8657 -0.8278 -1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1430 1.4681 -1.5040 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7567 1.5033 -1.8910 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4725 2.9727 -2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3874 0.6256 -3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8765 1.4153 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1068 2.2892 0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8706 0.4386 -0.5834 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 0.3619 0.5123 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5733 -1.0391 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3066 1.1457 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6618 0.9811 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1419 1.7042 -1.1997 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4557 0.8065 0.1991 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1686 1.3002 -0.3104 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5656 0.7082 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1572 -0.6764 -1.7037 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1818 -1.7094 -1.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9529 -2.9749 -2.3383 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2336 -1.5434 -1.0651 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 1.5027 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6265 2.0329 1.8833 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8299 1.1788 0.7303 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 1.3002 1.6899 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3730 0.7105 3.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6498 2.7038 1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 0.4193 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1079 -0.3881 0.3495 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 0.4111 1.8835 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7117 -0.4150 1.5445 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6894 0.4040 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6592 0.9689 1.3546 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5503 0.5663 -0.6278 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5257 1.2694 -1.4305 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9800 1.6757 -2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1177 2.3963 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5215 0.1484 -1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5167 -0.8572 -0.9633 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3978 0.1505 -2.8342 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2475 -1.0394 -2.9756 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1007 -1.1246 -1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0402 -0.2499 -0.8753 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9945 -2.2038 -1.6361 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.8969 -2.2936 -0.4203 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.8437 -3.6895 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5420 -4.2571 1.1348 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.1977 -3.6149 2.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.0104 -4.4092 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1180 -1.6448 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0303 -1.2105 -2.1435 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.3183 -1.4130 -0.2796 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.4790 -0.7283 -0.8552 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.6674 -1.3735 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6884 -1.1308 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.2685 0.6939 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1692 0.9942 -1.6214 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.9893 1.8204 -0.5577 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.6781 3.1876 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.7567 3.9610 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9089 3.3358 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.9855 1.9260 0.4319 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.4089 1.6875 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.6902 1.7542 -1.2106 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.3033 1.4027 1.0233 N 0 0 0 0 0 0 0 0 0 0 0 0
-19.6618 1.0956 1.1483 C 0 0 1 0 0 0 0 0 0 0 0 0
-20.2429 1.6307 2.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.4760 2.2518 3.1913 O 0 0 0 0 0 0 0 0 0 0 0 0
-21.5475 1.5213 2.7532 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.5668 1.0907 -0.0297 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.2642 0.0233 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.6331 2.4281 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6630 -1.8268 1.2173 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9636 -2.4015 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1530 -2.6214 2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5742 4.2726 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
23.0786 3.3611 3.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
22.4359 4.9925 3.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
22.2110 1.4484 2.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8813 1.3128 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4370 2.3236 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
21.1177 2.9963 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4738 1.3428 2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5944 2.7480 1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3909 2.8396 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5663 0.2053 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5674 -2.3660 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1576 -3.6275 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
18.6338 -2.1170 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
20.3600 -2.3868 -1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1537 -3.5164 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3801 -4.8909 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7338 -4.3659 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4281 -3.5501 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3358 -2.6914 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9240 -3.6398 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5568 -4.3973 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5809 -2.0690 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4432 0.7022 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1897 0.5918 -2.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3858 -0.6620 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6091 1.0543 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8007 2.2555 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9585 3.0856 -3.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3847 3.0492 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8167 3.6528 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8984 1.0253 -3.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3070 0.6831 -3.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6738 -0.4250 -2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7960 -0.2616 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3260 -1.4241 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7109 -1.6915 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6179 -1.1649 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2123 2.2550 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7585 0.8481 2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3853 0.8806 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 0.1823 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 2.3819 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2057 1.0433 -2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6039 1.3443 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7404 -0.7460 -2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2339 -1.0203 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7999 -3.5054 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 -3.3637 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4533 0.8019 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4609 0.2279 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 1.5133 3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1557 -0.0291 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 3.0559 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2161 3.3964 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 2.7127 3.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7737 1.1198 2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2890 -0.4745 2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7183 0.2286 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8188 2.1356 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6383 0.7891 -3.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2062 2.4664 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0372 2.1360 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3736 3.1946 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3287 2.7893 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4329 0.9413 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7732 -0.9230 -3.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5403 -1.8987 -3.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0315 -2.9403 -2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4118 -1.5637 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7173 -3.9276 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0450 -4.3290 -0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1507 -5.3441 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1230 -3.6424 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9214 -2.5514 2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4413 -4.1767 3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5869 -3.8158 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3408 -5.4987 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4032 -4.1410 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4195 -1.7277 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4086 -2.4276 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0822 -0.8502 -3.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7632 -1.3012 -2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7427 -2.2891 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6841 -0.8690 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5714 -0.7769 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.4144 3.5544 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6732 3.2821 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8122 3.9234 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9942 5.0541 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6896 3.2853 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8791 3.8726 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8363 1.2669 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.8113 1.4075 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6665 -0.1092 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.8706 0.7507 3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.6410 0.8378 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.0989 0.0069 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2954 -0.0083 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.3701 -0.9790 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.0969 3.2217 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.7063 2.7100 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.2595 2.3061 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7524 -2.1946 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9957 -2.9192 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0028 -1.7843 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -3.3218 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2762 -3.7023 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7921 -2.3639 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1412 -2.2731 2.6801 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
5 7 1 0
5 8 1 6
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
11 13 1 0
13 14 2 0
13 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
16 19 1 6
19 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
24 25 2 0
24 26 1 0
26 27 1 0
27 28 1 0
27 29 1 0
27 30 1 1
30 31 2 0
30 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
33 36 1 6
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
42 44 2 0
39 45 1 0
45 46 2 0
45 47 1 0
47 48 1 0
48 49 1 0
48 50 1 0
48 51 1 6
51 52 2 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
58 60 1 0
58 61 1 6
61 62 2 0
61 63 1 0
63 64 1 0
64 65 1 0
65 66 2 0
65 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
68 73 1 0
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
76 78 1 0
76 79 1 6
79 80 2 0
79 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
84 85 1 0
85 86 1 0
86 87 2 0
86 88 1 0
88 89 1 0
89 90 1 0
90 91 2 0
90 92 1 0
89 93 1 0
93 94 1 0
93 95 1 0
54 96 1 0
96 97 1 0
96 98 1 0
85 81 1 0
1 99 1 0
1100 1 0
1101 1 0
4102 1 0
6103 1 0
6104 1 0
6105 1 0
7106 1 0
7107 1 0
7108 1 0
10109 1 0
11110 1 1
12111 1 0
12112 1 0
12113 1 0
15114 1 0
17115 1 0
17116 1 0
17117 1 0
18118 1 0
18119 1 0
18120 1 0
21121 1 0
22122 1 1
23123 1 0
23124 1 0
23125 1 0
26126 1 0
28127 1 0
28128 1 0
28129 1 0
29130 1 0
29131 1 0
29132 1 0
32133 1 0
34134 1 0
34135 1 0
34136 1 0
35137 1 0
35138 1 0
35139 1 0
38140 1 0
39141 1 6
40142 1 0
40143 1 0
41144 1 0
41145 1 0
43146 1 0
43147 1 0
47148 1 0
49149 1 0
49150 1 0
49151 1 0
50152 1 0
50153 1 0
50154 1 0
53155 1 0
54156 1 1
57157 1 0
59158 1 0
59159 1 0
59160 1 0
60161 1 0
60162 1 0
60163 1 0
63164 1 0
64165 1 0
64166 1 0
67167 1 0
68168 1 1
69169 1 0
69170 1 0
70171 1 1
71172 1 0
71173 1 0
71174 1 0
72175 1 0
72176 1 0
72177 1 0
75178 1 0
77179 1 0
77180 1 0
77181 1 0
78182 1 0
78183 1 0
78184 1 0
82185 1 0
82186 1 0
83187 1 0
83188 1 0
84189 1 0
84190 1 0
85191 1 1
88192 1 0
89193 1 1
92194 1 0
93195 1 1
94196 1 0
94197 1 0
94198 1 0
95199 1 0
95200 1 0
95201 1 0
96202 1 6
97203 1 0
97204 1 0
97205 1 0
98206 1 0
98207 1 0
98208 1 0
M END
PDB for NP0006248 (Trichobrachin-IIA)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 22.758 4.037 3.008 0.00 0.00 C+0 HETATM 2 C UNK 0 21.632 3.493 2.184 0.00 0.00 C+0 HETATM 3 O UNK 0 20.818 4.300 1.702 0.00 0.00 O+0 HETATM 4 N UNK 0 21.524 2.110 1.979 0.00 0.00 N+0 HETATM 5 C UNK 0 20.424 1.631 1.166 0.00 0.00 C+0 HETATM 6 C UNK 0 20.480 2.115 -0.244 0.00 0.00 C+0 HETATM 7 C UNK 0 19.114 2.183 1.802 0.00 0.00 C+0 HETATM 8 C UNK 0 20.299 0.146 1.194 0.00 0.00 C+0 HETATM 9 O UNK 0 21.140 -0.519 1.843 0.00 0.00 O+0 HETATM 10 N UNK 0 19.213 -0.446 0.484 0.00 0.00 N+0 HETATM 11 C UNK 0 18.977 -1.877 0.479 0.00 0.00 C+0 HETATM 12 C UNK 0 19.264 -2.522 -0.830 0.00 0.00 C+0 HETATM 13 C UNK 0 17.506 -2.041 0.803 0.00 0.00 C+0 HETATM 14 O UNK 0 17.063 -1.370 1.728 0.00 0.00 O+0 HETATM 15 N UNK 0 16.720 -2.931 0.019 0.00 0.00 N+0 HETATM 16 C UNK 0 15.258 -3.016 0.248 0.00 0.00 C+0 HETATM 17 C UNK 0 14.697 -4.031 -0.744 0.00 0.00 C+0 HETATM 18 C UNK 0 15.008 -3.440 1.651 0.00 0.00 C+0 HETATM 19 C UNK 0 14.706 -1.692 -0.067 0.00 0.00 C+0 HETATM 20 O UNK 0 15.517 -0.688 -0.083 0.00 0.00 O+0 HETATM 21 N UNK 0 13.363 -1.394 -0.380 0.00 0.00 N+0 HETATM 22 C UNK 0 13.033 0.007 -0.700 0.00 0.00 C+0 HETATM 23 C UNK 0 13.851 0.250 -2.010 0.00 0.00 C+0 HETATM 24 C UNK 0 11.646 0.167 -1.075 0.00 0.00 C+0 HETATM 25 O UNK 0 10.866 -0.828 -1.041 0.00 0.00 O+0 HETATM 26 N UNK 0 11.143 1.468 -1.504 0.00 0.00 N+0 HETATM 27 C UNK 0 9.757 1.503 -1.891 0.00 0.00 C+0 HETATM 28 C UNK 0 9.473 2.973 -2.377 0.00 0.00 C+0 HETATM 29 C UNK 0 9.387 0.626 -3.014 0.00 0.00 C+0 HETATM 30 C UNK 0 8.877 1.415 -0.690 0.00 0.00 C+0 HETATM 31 O UNK 0 9.107 2.289 0.217 0.00 0.00 O+0 HETATM 32 N UNK 0 7.871 0.439 -0.583 0.00 0.00 N+0 HETATM 33 C UNK 0 6.934 0.362 0.512 0.00 0.00 C+0 HETATM 34 C UNK 0 6.573 -1.039 0.851 0.00 0.00 C+0 HETATM 35 C UNK 0 7.307 1.146 1.715 0.00 0.00 C+0 HETATM 36 C UNK 0 5.662 0.981 -0.166 0.00 0.00 C+0 HETATM 37 O UNK 0 6.142 1.704 -1.200 0.00 0.00 O+0 HETATM 38 N UNK 0 4.456 0.807 0.199 0.00 0.00 N+0 HETATM 39 C UNK 0 3.169 1.300 -0.310 0.00 0.00 C+0 HETATM 40 C UNK 0 2.566 0.708 -1.498 0.00 0.00 C+0 HETATM 41 C UNK 0 2.157 -0.676 -1.704 0.00 0.00 C+0 HETATM 42 C UNK 0 3.182 -1.709 -1.660 0.00 0.00 C+0 HETATM 43 N UNK 0 2.953 -2.975 -2.338 0.00 0.00 N+0 HETATM 44 O UNK 0 4.234 -1.543 -1.065 0.00 0.00 O+0 HETATM 45 C UNK 0 2.173 1.503 0.778 0.00 0.00 C+0 HETATM 46 O UNK 0 2.627 2.033 1.883 0.00 0.00 O+0 HETATM 47 N UNK 0 0.830 1.179 0.730 0.00 0.00 N+0 HETATM 48 C UNK 0 -0.232 1.300 1.690 0.00 0.00 C+0 HETATM 49 C UNK 0 0.373 0.711 3.003 0.00 0.00 C+0 HETATM 50 C UNK 0 -0.650 2.704 1.983 0.00 0.00 C+0 HETATM 51 C UNK 0 -1.369 0.419 1.307 0.00 0.00 C+0 HETATM 52 O UNK 0 -1.108 -0.388 0.350 0.00 0.00 O+0 HETATM 53 N UNK 0 -2.620 0.411 1.884 0.00 0.00 N+0 HETATM 54 C UNK 0 -3.712 -0.415 1.545 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.689 0.404 0.752 0.00 0.00 C+0 HETATM 56 O UNK 0 -5.659 0.969 1.355 0.00 0.00 O+0 HETATM 57 N UNK 0 -4.550 0.566 -0.628 0.00 0.00 N+0 HETATM 58 C UNK 0 -5.526 1.269 -1.431 0.00 0.00 C+0 HETATM 59 C UNK 0 -4.980 1.676 -2.799 0.00 0.00 C+0 HETATM 60 C UNK 0 -6.118 2.396 -0.687 0.00 0.00 C+0 HETATM 61 C UNK 0 -6.521 0.148 -1.751 0.00 0.00 C+0 HETATM 62 O UNK 0 -6.517 -0.857 -0.963 0.00 0.00 O+0 HETATM 63 N UNK 0 -7.398 0.151 -2.834 0.00 0.00 N+0 HETATM 64 C UNK 0 -8.248 -1.039 -2.976 0.00 0.00 C+0 HETATM 65 C UNK 0 -9.101 -1.125 -1.773 0.00 0.00 C+0 HETATM 66 O UNK 0 -9.040 -0.250 -0.875 0.00 0.00 O+0 HETATM 67 N UNK 0 -9.995 -2.204 -1.636 0.00 0.00 N+0 HETATM 68 C UNK 0 -10.897 -2.294 -0.420 0.00 0.00 C+0 HETATM 69 C UNK 0 -10.844 -3.689 -0.018 0.00 0.00 C+0 HETATM 70 C UNK 0 -11.542 -4.257 1.135 0.00 0.00 C+0 HETATM 71 C UNK 0 -11.198 -3.615 2.457 0.00 0.00 C+0 HETATM 72 C UNK 0 -13.010 -4.409 0.973 0.00 0.00 C+0 HETATM 73 C UNK 0 -12.118 -1.645 -0.894 0.00 0.00 C+0 HETATM 74 O UNK 0 -12.030 -1.210 -2.143 0.00 0.00 O+0 HETATM 75 N UNK 0 -13.318 -1.413 -0.280 0.00 0.00 N+0 HETATM 76 C UNK 0 -14.479 -0.728 -0.855 0.00 0.00 C+0 HETATM 77 C UNK 0 -14.667 -1.373 -2.273 0.00 0.00 C+0 HETATM 78 C UNK 0 -15.688 -1.131 -0.067 0.00 0.00 C+0 HETATM 79 C UNK 0 -14.268 0.694 -0.981 0.00 0.00 C+0 HETATM 80 O UNK 0 -13.169 0.994 -1.621 0.00 0.00 O+0 HETATM 81 N UNK 0 -14.989 1.820 -0.558 0.00 0.00 N+0 HETATM 82 C UNK 0 -14.678 3.188 -1.020 0.00 0.00 C+0 HETATM 83 C UNK 0 -14.757 3.961 0.280 0.00 0.00 C+0 HETATM 84 C UNK 0 -15.909 3.336 1.004 0.00 0.00 C+0 HETATM 85 C UNK 0 -15.986 1.926 0.432 0.00 0.00 C+0 HETATM 86 C UNK 0 -17.409 1.688 -0.028 0.00 0.00 C+0 HETATM 87 O UNK 0 -17.690 1.754 -1.211 0.00 0.00 O+0 HETATM 88 N UNK 0 -18.303 1.403 1.023 0.00 0.00 N+0 HETATM 89 C UNK 0 -19.662 1.096 1.148 0.00 0.00 C+0 HETATM 90 C UNK 0 -20.243 1.631 2.383 0.00 0.00 C+0 HETATM 91 O UNK 0 -19.476 2.252 3.191 0.00 0.00 O+0 HETATM 92 O UNK 0 -21.547 1.521 2.753 0.00 0.00 O+0 HETATM 93 C UNK 0 -20.567 1.091 -0.030 0.00 0.00 C+0 HETATM 94 C UNK 0 -20.264 0.023 -1.045 0.00 0.00 C+0 HETATM 95 C UNK 0 -20.633 2.428 -0.727 0.00 0.00 C+0 HETATM 96 C UNK 0 -3.663 -1.827 1.217 0.00 0.00 C+0 HETATM 97 C UNK 0 -2.964 -2.401 0.062 0.00 0.00 C+0 HETATM 98 C UNK 0 -3.153 -2.621 2.496 0.00 0.00 C+0 HETATM 99 H UNK 0 23.574 4.273 2.309 0.00 0.00 H+0 HETATM 100 H UNK 0 23.079 3.361 3.813 0.00 0.00 H+0 HETATM 101 H UNK 0 22.436 4.992 3.494 0.00 0.00 H+0 HETATM 102 H UNK 0 22.211 1.448 2.376 0.00 0.00 H+0 HETATM 103 H UNK 0 20.881 1.313 -0.892 0.00 0.00 H+0 HETATM 104 H UNK 0 19.437 2.324 -0.628 0.00 0.00 H+0 HETATM 105 H UNK 0 21.118 2.996 -0.381 0.00 0.00 H+0 HETATM 106 H UNK 0 18.474 1.343 2.139 0.00 0.00 H+0 HETATM 107 H UNK 0 18.594 2.748 1.007 0.00 0.00 H+0 HETATM 108 H UNK 0 19.391 2.840 2.674 0.00 0.00 H+0 HETATM 109 H UNK 0 18.566 0.205 -0.050 0.00 0.00 H+0 HETATM 110 H UNK 0 19.567 -2.366 1.249 0.00 0.00 H+0 HETATM 111 H UNK 0 19.158 -3.628 -0.753 0.00 0.00 H+0 HETATM 112 H UNK 0 18.634 -2.117 -1.666 0.00 0.00 H+0 HETATM 113 H UNK 0 20.360 -2.387 -1.086 0.00 0.00 H+0 HETATM 114 H UNK 0 17.154 -3.516 -0.702 0.00 0.00 H+0 HETATM 115 H UNK 0 15.380 -4.891 -0.860 0.00 0.00 H+0 HETATM 116 H UNK 0 13.734 -4.366 -0.299 0.00 0.00 H+0 HETATM 117 H UNK 0 14.428 -3.550 -1.729 0.00 0.00 H+0 HETATM 118 H UNK 0 15.336 -2.691 2.387 0.00 0.00 H+0 HETATM 119 H UNK 0 13.924 -3.640 1.825 0.00 0.00 H+0 HETATM 120 H UNK 0 15.557 -4.397 1.874 0.00 0.00 H+0 HETATM 121 H UNK 0 12.581 -2.069 -0.414 0.00 0.00 H+0 HETATM 122 H UNK 0 13.443 0.702 0.021 0.00 0.00 H+0 HETATM 123 H UNK 0 13.190 0.592 -2.801 0.00 0.00 H+0 HETATM 124 H UNK 0 14.386 -0.662 -2.322 0.00 0.00 H+0 HETATM 125 H UNK 0 14.609 1.054 -1.776 0.00 0.00 H+0 HETATM 126 H UNK 0 11.801 2.256 -1.499 0.00 0.00 H+0 HETATM 127 H UNK 0 9.959 3.086 -3.336 0.00 0.00 H+0 HETATM 128 H UNK 0 8.385 3.049 -2.471 0.00 0.00 H+0 HETATM 129 H UNK 0 9.817 3.653 -1.569 0.00 0.00 H+0 HETATM 130 H UNK 0 9.898 1.025 -3.951 0.00 0.00 H+0 HETATM 131 H UNK 0 8.307 0.683 -3.294 0.00 0.00 H+0 HETATM 132 H UNK 0 9.674 -0.425 -2.949 0.00 0.00 H+0 HETATM 133 H UNK 0 7.796 -0.262 -1.342 0.00 0.00 H+0 HETATM 134 H UNK 0 7.326 -1.424 1.616 0.00 0.00 H+0 HETATM 135 H UNK 0 6.711 -1.692 -0.024 0.00 0.00 H+0 HETATM 136 H UNK 0 5.618 -1.165 1.338 0.00 0.00 H+0 HETATM 137 H UNK 0 7.212 2.255 1.551 0.00 0.00 H+0 HETATM 138 H UNK 0 6.758 0.848 2.624 0.00 0.00 H+0 HETATM 139 H UNK 0 8.385 0.881 1.948 0.00 0.00 H+0 HETATM 140 H UNK 0 4.265 0.182 1.096 0.00 0.00 H+0 HETATM 141 H UNK 0 3.473 2.382 -0.617 0.00 0.00 H+0 HETATM 142 H UNK 0 3.206 1.043 -2.404 0.00 0.00 H+0 HETATM 143 H UNK 0 1.604 1.344 -1.743 0.00 0.00 H+0 HETATM 144 H UNK 0 1.740 -0.746 -2.786 0.00 0.00 H+0 HETATM 145 H UNK 0 1.234 -1.020 -1.127 0.00 0.00 H+0 HETATM 146 H UNK 0 3.800 -3.505 -2.707 0.00 0.00 H+0 HETATM 147 H UNK 0 2.013 -3.364 -2.469 0.00 0.00 H+0 HETATM 148 H UNK 0 0.453 0.802 -0.229 0.00 0.00 H+0 HETATM 149 H UNK 0 -0.461 0.228 3.551 0.00 0.00 H+0 HETATM 150 H UNK 0 0.775 1.513 3.604 0.00 0.00 H+0 HETATM 151 H UNK 0 1.156 -0.029 2.711 0.00 0.00 H+0 HETATM 152 H UNK 0 -1.460 3.056 1.297 0.00 0.00 H+0 HETATM 153 H UNK 0 0.216 3.396 2.045 0.00 0.00 H+0 HETATM 154 H UNK 0 -1.063 2.713 3.042 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.774 1.120 2.675 0.00 0.00 H+0 HETATM 156 H UNK 0 -4.289 -0.475 2.618 0.00 0.00 H+0 HETATM 157 H UNK 0 -3.718 0.229 -1.183 0.00 0.00 H+0 HETATM 158 H UNK 0 -5.819 2.136 -3.357 0.00 0.00 H+0 HETATM 159 H UNK 0 -4.638 0.789 -3.353 0.00 0.00 H+0 HETATM 160 H UNK 0 -4.206 2.466 -2.687 0.00 0.00 H+0 HETATM 161 H UNK 0 -7.037 2.136 -0.139 0.00 0.00 H+0 HETATM 162 H UNK 0 -6.374 3.195 -1.451 0.00 0.00 H+0 HETATM 163 H UNK 0 -5.329 2.789 0.034 0.00 0.00 H+0 HETATM 164 H UNK 0 -7.433 0.941 -3.498 0.00 0.00 H+0 HETATM 165 H UNK 0 -8.773 -0.923 -3.926 0.00 0.00 H+0 HETATM 166 H UNK 0 -7.540 -1.899 -3.047 0.00 0.00 H+0 HETATM 167 H UNK 0 -10.031 -2.940 -2.348 0.00 0.00 H+0 HETATM 168 H UNK 0 -10.412 -1.564 0.288 0.00 0.00 H+0 HETATM 169 H UNK 0 -9.717 -3.928 0.121 0.00 0.00 H+0 HETATM 170 H UNK 0 -11.045 -4.329 -0.958 0.00 0.00 H+0 HETATM 171 H UNK 0 -11.151 -5.344 1.272 0.00 0.00 H+0 HETATM 172 H UNK 0 -12.123 -3.642 3.082 0.00 0.00 H+0 HETATM 173 H UNK 0 -10.921 -2.551 2.340 0.00 0.00 H+0 HETATM 174 H UNK 0 -10.441 -4.177 3.045 0.00 0.00 H+0 HETATM 175 H UNK 0 -13.587 -3.816 1.728 0.00 0.00 H+0 HETATM 176 H UNK 0 -13.341 -5.499 1.095 0.00 0.00 H+0 HETATM 177 H UNK 0 -13.403 -4.141 -0.023 0.00 0.00 H+0 HETATM 178 H UNK 0 -13.419 -1.728 0.737 0.00 0.00 H+0 HETATM 179 H UNK 0 -14.409 -2.428 -2.140 0.00 0.00 H+0 HETATM 180 H UNK 0 -14.082 -0.850 -3.022 0.00 0.00 H+0 HETATM 181 H UNK 0 -15.763 -1.301 -2.453 0.00 0.00 H+0 HETATM 182 H UNK 0 -15.743 -2.289 -0.074 0.00 0.00 H+0 HETATM 183 H UNK 0 -15.684 -0.869 0.974 0.00 0.00 H+0 HETATM 184 H UNK 0 -16.571 -0.777 -0.643 0.00 0.00 H+0 HETATM 185 H UNK 0 -15.414 3.554 -1.760 0.00 0.00 H+0 HETATM 186 H UNK 0 -13.673 3.282 -1.442 0.00 0.00 H+0 HETATM 187 H UNK 0 -13.812 3.923 0.844 0.00 0.00 H+0 HETATM 188 H UNK 0 -14.994 5.054 0.097 0.00 0.00 H+0 HETATM 189 H UNK 0 -15.690 3.285 2.068 0.00 0.00 H+0 HETATM 190 H UNK 0 -16.879 3.873 0.858 0.00 0.00 H+0 HETATM 191 H UNK 0 -15.836 1.267 1.317 0.00 0.00 H+0 HETATM 192 H UNK 0 -17.811 1.408 2.032 0.00 0.00 H+0 HETATM 193 H UNK 0 -19.666 -0.109 1.375 0.00 0.00 H+0 HETATM 194 H UNK 0 -21.871 0.751 3.303 0.00 0.00 H+0 HETATM 195 H UNK 0 -21.641 0.838 0.316 0.00 0.00 H+0 HETATM 196 H UNK 0 -21.099 0.007 -1.828 0.00 0.00 H+0 HETATM 197 H UNK 0 -19.295 -0.008 -1.497 0.00 0.00 H+0 HETATM 198 H UNK 0 -20.370 -0.979 -0.513 0.00 0.00 H+0 HETATM 199 H UNK 0 -20.097 3.222 -0.161 0.00 0.00 H+0 HETATM 200 H UNK 0 -21.706 2.710 -0.844 0.00 0.00 H+0 HETATM 201 H UNK 0 -20.259 2.306 -1.775 0.00 0.00 H+0 HETATM 202 H UNK 0 -4.752 -2.195 1.203 0.00 0.00 H+0 HETATM 203 H UNK 0 -1.996 -2.919 0.260 0.00 0.00 H+0 HETATM 204 H UNK 0 -3.003 -1.784 -0.819 0.00 0.00 H+0 HETATM 205 H UNK 0 -3.616 -3.322 -0.247 0.00 0.00 H+0 HETATM 206 H UNK 0 -3.276 -3.702 2.325 0.00 0.00 H+0 HETATM 207 H UNK 0 -3.792 -2.364 3.361 0.00 0.00 H+0 HETATM 208 H UNK 0 -2.141 -2.273 2.680 0.00 0.00 H+0 CONECT 1 2 99 100 101 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 102 CONECT 5 4 6 7 8 CONECT 6 5 103 104 105 CONECT 7 5 106 107 108 CONECT 8 5 9 10 CONECT 9 8 CONECT 10 8 11 109 CONECT 11 10 12 13 110 CONECT 12 11 111 112 113 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 16 114 CONECT 16 15 17 18 19 CONECT 17 16 115 116 117 CONECT 18 16 118 119 120 CONECT 19 16 20 21 CONECT 20 19 CONECT 21 19 22 121 CONECT 22 21 23 24 122 CONECT 23 22 123 124 125 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 27 126 CONECT 27 26 28 29 30 CONECT 28 27 127 128 129 CONECT 29 27 130 131 132 CONECT 30 27 31 32 CONECT 31 30 CONECT 32 30 33 133 CONECT 33 32 34 35 36 CONECT 34 33 134 135 136 CONECT 35 33 137 138 139 CONECT 36 33 37 38 CONECT 37 36 CONECT 38 36 39 140 CONECT 39 38 40 45 141 CONECT 40 39 41 142 143 CONECT 41 40 42 144 145 CONECT 42 41 43 44 CONECT 43 42 146 147 CONECT 44 42 CONECT 45 39 46 47 CONECT 46 45 CONECT 47 45 48 148 CONECT 48 47 49 50 51 CONECT 49 48 149 150 151 CONECT 50 48 152 153 154 CONECT 51 48 52 53 CONECT 52 51 CONECT 53 51 54 155 CONECT 54 53 55 96 156 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 157 CONECT 58 57 59 60 61 CONECT 59 58 158 159 160 CONECT 60 58 161 162 163 CONECT 61 58 62 63 CONECT 62 61 CONECT 63 61 64 164 CONECT 64 63 65 165 166 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 68 167 CONECT 68 67 69 73 168 CONECT 69 68 70 169 170 CONECT 70 69 71 72 171 CONECT 71 70 172 173 174 CONECT 72 70 175 176 177 CONECT 73 68 74 75 CONECT 74 73 CONECT 75 73 76 178 CONECT 76 75 77 78 79 CONECT 77 76 179 180 181 CONECT 78 76 182 183 184 CONECT 79 76 80 81 CONECT 80 79 CONECT 81 79 82 85 CONECT 82 81 83 185 186 CONECT 83 82 84 187 188 CONECT 84 83 85 189 190 CONECT 85 84 86 81 191 CONECT 86 85 87 88 CONECT 87 86 CONECT 88 86 89 192 CONECT 89 88 90 93 193 CONECT 90 89 91 92 CONECT 91 90 CONECT 92 90 194 CONECT 93 89 94 95 195 CONECT 94 93 196 197 198 CONECT 95 93 199 200 201 CONECT 96 54 97 98 202 CONECT 97 96 203 204 205 CONECT 98 96 206 207 208 CONECT 99 1 CONECT 100 1 CONECT 101 1 CONECT 102 4 CONECT 103 6 CONECT 104 6 CONECT 105 6 CONECT 106 7 CONECT 107 7 CONECT 108 7 CONECT 109 10 CONECT 110 11 CONECT 111 12 CONECT 112 12 CONECT 113 12 CONECT 114 15 CONECT 115 17 CONECT 116 17 CONECT 117 17 CONECT 118 18 CONECT 119 18 CONECT 120 18 CONECT 121 21 CONECT 122 22 CONECT 123 23 CONECT 124 23 CONECT 125 23 CONECT 126 26 CONECT 127 28 CONECT 128 28 CONECT 129 28 CONECT 130 29 CONECT 131 29 CONECT 132 29 CONECT 133 32 CONECT 134 34 CONECT 135 34 CONECT 136 34 CONECT 137 35 CONECT 138 35 CONECT 139 35 CONECT 140 38 CONECT 141 39 CONECT 142 40 CONECT 143 40 CONECT 144 41 CONECT 145 41 CONECT 146 43 CONECT 147 43 CONECT 148 47 CONECT 149 49 CONECT 150 49 CONECT 151 49 CONECT 152 50 CONECT 153 50 CONECT 154 50 CONECT 155 53 CONECT 156 54 CONECT 157 57 CONECT 158 59 CONECT 159 59 CONECT 160 59 CONECT 161 60 CONECT 162 60 CONECT 163 60 CONECT 164 63 CONECT 165 64 CONECT 166 64 CONECT 167 67 CONECT 168 68 CONECT 169 69 CONECT 170 69 CONECT 171 70 CONECT 172 71 CONECT 173 71 CONECT 174 71 CONECT 175 72 CONECT 176 72 CONECT 177 72 CONECT 178 75 CONECT 179 77 CONECT 180 77 CONECT 181 77 CONECT 182 78 CONECT 183 78 CONECT 184 78 CONECT 185 82 CONECT 186 82 CONECT 187 83 CONECT 188 83 CONECT 189 84 CONECT 190 84 CONECT 191 85 CONECT 192 88 CONECT 193 89 CONECT 194 92 CONECT 195 93 CONECT 196 94 CONECT 197 94 CONECT 198 94 CONECT 199 95 CONECT 200 95 CONECT 201 95 CONECT 202 96 CONECT 203 97 CONECT 204 97 CONECT 205 97 CONECT 206 98 CONECT 207 98 CONECT 208 98 MASTER 0 0 0 0 0 0 0 0 208 0 416 0 END SMILES for NP0006248 (Trichobrachin-IIA)[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)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])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)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])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0006248 (Trichobrachin-IIA)InChI=1S/C64H110N16O18/c1-31(2)29-38(47(87)77-64(22,23)57(98)80-28-24-25-39(80)48(88)71-43(33(5)6)50(90)91)69-41(83)30-66-51(92)58(10,11)78-49(89)42(32(3)4)72-55(96)61(16,17)76-46(86)37(26-27-40(65)82)70-54(95)62(18,19)79-56(97)63(20,21)75-45(85)35(8)68-53(94)60(14,15)74-44(84)34(7)67-52(93)59(12,13)73-36(9)81/h31-35,37-39,42-43H,24-30H2,1-23H3,(H2,65,82)(H,66,92)(H,67,93)(H,68,94)(H,69,83)(H,70,95)(H,71,88)(H,72,96)(H,73,81)(H,74,84)(H,75,85)(H,76,86)(H,77,87)(H,78,89)(H,79,97)(H,90,91)/t34-,35+,37+,38-,39+,42-,43-/m1/s1 3D Structure for NP0006248 (Trichobrachin-IIA) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C64H110N16O18 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1391.6780 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1390.81840 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-2-{[(2S)-1-{2-[(2R)-2-{2-[2-(2-{2-[(2S)-4-carbamoyl-2-(2-{2-[(2S)-2-{2-[(2R)-2-(2-acetamido-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}-2-methylpropanamido)butanamido]-2-methylpropanamido}-3-methylbutanamido)-2-methylpropanamido]acetamido}-4-methylpentanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R)-2-{[(2S)-1-{2-[(2R)-2-{2-[2-(2-{2-[(2S)-4-carbamoyl-2-(2-{2-[(2S)-2-{2-[(2R)-2-(2-acetamido-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]-2-methylpropanamido}-2-methylpropanamido)butanamido]-2-methylpropanamido}-3-methylbutanamido)-2-methylpropanamido]acetamido}-4-methylpentanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)CC(NC(=O)CNC(=O)C(C)(C)NC(=O)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(O)=O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C64H110N16O18/c1-31(2)29-38(47(87)77-64(22,23)57(98)80-28-24-25-39(80)48(88)71-43(33(5)6)50(90)91)69-41(83)30-66-51(92)58(10,11)78-49(89)42(32(3)4)72-55(96)61(16,17)76-46(86)37(26-27-40(65)82)70-54(95)62(18,19)79-56(97)63(20,21)75-45(85)35(8)68-53(94)60(14,15)74-44(84)34(7)67-52(93)59(12,13)73-36(9)81/h31-35,37-39,42-43H,24-30H2,1-23H3,(H2,65,82)(H,66,92)(H,67,93)(H,68,94)(H,69,83)(H,70,95)(H,71,88)(H,72,96)(H,73,81)(H,74,84)(H,75,85)(H,76,86)(H,77,87)(H,78,89)(H,79,97)(H,90,91) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | XRDRZVACMTUBSJ-UHFFFAOYSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic Polymers | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Polypeptides | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polypeptides | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Molecular Framework | Aliphatic heteromonocyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA018158 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444882 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139588147 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
