Showing NP-Card for Trichorovin-XIV (NP0022365)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 07:33:39 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:38:50 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0022365 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Trichorovin-XIV | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Trichorovin-XIV is found in Trichoderma viride. Based on a literature review very few articles have been published on Trichorovin-XIV. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0022365 (Trichorovin-XIV)
Mrv1652307042108073D
188189 0 0 0 0 999 V2000
-10.5303 -5.5106 -3.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0572 -4.2854 -2.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4541 -3.2070 -2.5741 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2485 -4.3279 -1.6518 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.7939 -3.1305 -1.0330 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.0676 -2.1279 -2.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.1592 -3.5142 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9480 -2.5768 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9190 -3.1483 0.4733 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2857 -1.3308 0.6336 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4918 -0.7318 1.6961 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.2983 -0.3108 2.8610 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.3940 0.6640 2.5706 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.1310 1.0746 3.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.1196 2.0821 3.7511 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.8640 0.5206 4.8956 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4786 0.2026 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8429 -0.1421 0.1622 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2079 1.4290 1.7928 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2657 2.3988 1.4045 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7424 3.6040 0.7066 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4603 3.5226 -0.5775 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7398 5.0175 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8657 2.9421 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9088 1.9498 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3452 1.1983 2.0241 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0824 2.2508 0.0244 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7448 1.9102 -0.1479 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0537 2.8491 -1.0618 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.4993 3.0338 -2.4579 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.4704 1.8181 -3.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7216 3.8613 -2.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3033 0.4981 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0893 -0.3618 -0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9103 0.2603 -0.2153 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 -0.9435 -0.3537 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1034 -1.3413 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8127 -2.0205 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 -0.6311 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 0.6113 0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 -1.3738 0.9228 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7458 -2.7951 1.1365 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6747 -2.9068 2.6659 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3969 -1.4934 3.1505 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1273 -0.7893 1.8182 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5440 -0.9999 1.8622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0786 -2.1168 1.7656 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4009 0.1398 2.0476 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 0.3684 2.2435 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8923 1.4389 3.2796 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1676 1.9388 3.7429 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1325 0.9487 4.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8704 2.9466 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6359 0.3764 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 -0.5782 0.9912 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6766 1.2991 0.0847 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4644 1.5885 -1.0604 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7593 1.5472 -2.3031 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2538 1.9115 -3.6177 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7456 3.3639 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1587 1.0522 -4.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8252 1.0971 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3854 1.5690 0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5389 0.1946 -1.5354 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9039 -0.2808 -1.3531 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7834 1.0059 -1.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2036 -1.0924 -2.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1567 -0.8988 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5636 -0.3827 0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9890 -2.0049 0.1723 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2252 -2.3918 1.5986 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7012 -3.8016 1.5803 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6824 -4.2665 0.1680 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6690 -2.9281 -0.6358 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0519 -2.5582 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6076 -3.3544 -1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7505 -1.4972 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1600 -1.2719 -0.8723 C 0 0 1 0 0 0 0 0 0 0 0 0
14.1211 0.0676 -1.5127 C 0 0 1 0 0 0 0 0 0 0 0 0
13.7072 1.0558 -0.6163 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0201 -1.4700 0.3071 C 0 0 2 0 0 0 0 0 0 0 0 0
16.4774 -1.3505 0.0836 C 0 0 1 0 0 0 0 0 0 0 0 0
16.9474 -0.0348 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2022 -1.7895 1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3398 -6.2707 -3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6577 -5.9279 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2199 -5.2692 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7242 -5.2506 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5481 -2.3771 -3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7772 -1.1146 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1628 -2.1123 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6777 -2.6163 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0510 -4.3193 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7434 -3.9352 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1283 -0.8293 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8435 -1.6102 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7935 -1.2243 3.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6242 0.0350 3.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1232 0.2413 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9942 1.5664 2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0809 1.8584 3.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8924 3.0666 4.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7965 1.6391 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0335 2.8947 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9423 4.3893 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4669 4.1258 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9433 3.1237 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7953 5.5361 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5361 5.3317 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0798 5.0368 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5831 3.4903 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8322 1.8722 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1998 3.1325 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6420 2.7959 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2985 2.0345 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0079 3.8714 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9796 2.4631 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6519 3.6976 -2.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0799 0.9913 -2.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4270 1.5055 -3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9087 2.0858 -4.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5926 4.4772 -3.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6145 3.2511 -2.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8825 4.6230 -1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3727 1.1558 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1391 -1.7035 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 -2.2197 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7945 -0.5350 -2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8917 -1.7570 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3783 -2.1013 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7136 -2.9973 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2571 -3.1982 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5668 -3.4010 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1046 -3.5982 3.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6495 -3.1959 3.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2762 -0.9583 3.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4244 -1.4470 3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0984 0.3120 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8018 1.0789 2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0731 -0.6085 2.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 1.1056 4.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2999 2.3248 2.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8953 2.5778 4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6727 0.2016 4.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7443 0.5535 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8532 1.5284 4.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3308 3.1241 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8631 3.9695 3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9561 2.7104 2.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8219 2.0563 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6608 2.7751 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 0.5431 -2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 2.2378 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3058 2.0065 -4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9066 4.0838 -3.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5799 3.5415 -3.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1326 3.4870 -4.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 1.2955 -5.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2156 1.2442 -4.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9245 -0.0195 -4.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0430 -0.3061 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8194 0.6001 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6540 1.4866 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5394 1.6281 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5519 -1.9616 -2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2694 -1.2073 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7958 -0.4472 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9882 -1.6759 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2944 -2.2267 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0137 -4.4108 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7278 -3.8680 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7764 -4.7936 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6304 -4.7812 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1203 -3.1613 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4191 -0.8110 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4072 -2.0221 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0115 0.3551 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2782 0.0134 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1242 1.9132 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8544 -2.5276 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7524 -0.7520 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7521 -2.1546 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9539 0.1760 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1837 -0.0939 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3067 0.8299 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8894 -2.8281 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2971 -1.7749 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9290 -1.1902 2.2389 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 1 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
11 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 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
20 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
28 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
36 39 1 1 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 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
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
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
49 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 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
57 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
65 67 1 0 0 0 0
65 68 1 1 0 0 0
68 69 2 0 0 0 0
68 70 1 0 0 0 0
70 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
75 76 2 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
78 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
45 41 1 0 0 0 0
74 70 1 0 0 0 0
1 85 1 0 0 0 0
1 86 1 0 0 0 0
1 87 1 0 0 0 0
4 88 1 0 0 0 0
6 89 1 0 0 0 0
6 90 1 0 0 0 0
6 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
7 94 1 0 0 0 0
10 95 1 0 0 0 0
11 96 1 1 0 0 0
12 97 1 0 0 0 0
12 98 1 0 0 0 0
13 99 1 0 0 0 0
13100 1 0 0 0 0
15101 1 0 0 0 0
15102 1 0 0 0 0
19103 1 0 0 0 0
20104 1 1 0 0 0
21105 1 0 0 0 0
21106 1 0 0 0 0
22107 1 6 0 0 0
23108 1 0 0 0 0
23109 1 0 0 0 0
23110 1 0 0 0 0
24111 1 0 0 0 0
24112 1 0 0 0 0
24113 1 0 0 0 0
27114 1 0 0 0 0
28115 1 1 0 0 0
29116 1 0 0 0 0
29117 1 0 0 0 0
30118 1 6 0 0 0
31119 1 0 0 0 0
31120 1 0 0 0 0
31121 1 0 0 0 0
32122 1 0 0 0 0
32123 1 0 0 0 0
32124 1 0 0 0 0
35125 1 0 0 0 0
37126 1 0 0 0 0
37127 1 0 0 0 0
37128 1 0 0 0 0
38129 1 0 0 0 0
38130 1 0 0 0 0
38131 1 0 0 0 0
42132 1 0 0 0 0
42133 1 0 0 0 0
43134 1 0 0 0 0
43135 1 0 0 0 0
44136 1 0 0 0 0
44137 1 0 0 0 0
45138 1 1 0 0 0
48139 1 0 0 0 0
49140 1 1 0 0 0
50141 1 0 0 0 0
50142 1 0 0 0 0
51143 1 1 0 0 0
52144 1 0 0 0 0
52145 1 0 0 0 0
52146 1 0 0 0 0
53147 1 0 0 0 0
53148 1 0 0 0 0
53149 1 0 0 0 0
56150 1 0 0 0 0
57151 1 1 0 0 0
58152 1 0 0 0 0
58153 1 0 0 0 0
59154 1 6 0 0 0
60155 1 0 0 0 0
60156 1 0 0 0 0
60157 1 0 0 0 0
61158 1 0 0 0 0
61159 1 0 0 0 0
61160 1 0 0 0 0
64161 1 0 0 0 0
66162 1 0 0 0 0
66163 1 0 0 0 0
66164 1 0 0 0 0
67165 1 0 0 0 0
67166 1 0 0 0 0
67167 1 0 0 0 0
71168 1 0 0 0 0
71169 1 0 0 0 0
72170 1 0 0 0 0
72171 1 0 0 0 0
73172 1 0 0 0 0
73173 1 0 0 0 0
74174 1 6 0 0 0
77175 1 0 0 0 0
78176 1 6 0 0 0
79177 1 0 0 0 0
79178 1 0 0 0 0
80179 1 0 0 0 0
81180 1 0 0 0 0
81181 1 0 0 0 0
82182 1 6 0 0 0
83183 1 0 0 0 0
83184 1 0 0 0 0
83185 1 0 0 0 0
84186 1 0 0 0 0
84187 1 0 0 0 0
84188 1 0 0 0 0
M END
3D MOL for NP0022365 (Trichorovin-XIV)
RDKit 3D
188189 0 0 0 0 0 0 0 0999 V2000
-10.5303 -5.5106 -3.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0572 -4.2854 -2.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4541 -3.2070 -2.5741 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2485 -4.3279 -1.6518 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.7939 -3.1305 -1.0330 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.0676 -2.1279 -2.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.1592 -3.5142 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9480 -2.5768 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9190 -3.1483 0.4733 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2857 -1.3308 0.6336 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4918 -0.7318 1.6961 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.2983 -0.3108 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3940 0.6640 2.5706 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.1310 1.0746 3.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.1196 2.0821 3.7511 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.8640 0.5206 4.8956 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4786 0.2026 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8429 -0.1421 0.1622 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2079 1.4290 1.7928 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2657 2.3988 1.4045 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7424 3.6040 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4603 3.5226 -0.5775 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7398 5.0175 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8657 2.9421 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9088 1.9498 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3452 1.1983 2.0241 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0824 2.2508 0.0244 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7448 1.9102 -0.1479 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0537 2.8491 -1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4993 3.0338 -2.4579 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.4704 1.8181 -3.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7216 3.8613 -2.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3033 0.4981 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0893 -0.3618 -0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9103 0.2603 -0.2153 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 -0.9435 -0.3537 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1034 -1.3413 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8127 -2.0205 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 -0.6311 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 0.6113 0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 -1.3738 0.9228 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7458 -2.7951 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6747 -2.9068 2.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3969 -1.4934 3.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1273 -0.7893 1.8182 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5440 -0.9999 1.8622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0786 -2.1168 1.7656 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4009 0.1398 2.0476 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 0.3684 2.2435 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8923 1.4389 3.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1676 1.9388 3.7429 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1325 0.9487 4.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8704 2.9466 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6359 0.3764 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 -0.5782 0.9912 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6766 1.2991 0.0847 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4644 1.5885 -1.0604 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7593 1.5472 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2538 1.9115 -3.6177 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7456 3.3639 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1587 1.0522 -4.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8252 1.0971 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3854 1.5690 0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5389 0.1946 -1.5354 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9039 -0.2808 -1.3531 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7834 1.0059 -1.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2036 -1.0924 -2.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1567 -0.8988 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5636 -0.3827 0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9890 -2.0049 0.1723 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2252 -2.3918 1.5986 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7012 -3.8016 1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6824 -4.2665 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6690 -2.9281 -0.6358 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0519 -2.5582 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6076 -3.3544 -1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7505 -1.4972 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1600 -1.2719 -0.8723 C 0 0 1 0 0 0 0 0 0 0 0 0
14.1211 0.0676 -1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7072 1.0558 -0.6163 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0201 -1.4700 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4774 -1.3505 0.0836 C 0 0 1 0 0 0 0 0 0 0 0 0
16.9474 -0.0348 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2022 -1.7895 1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3398 -6.2707 -3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6577 -5.9279 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2199 -5.2692 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7242 -5.2506 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5481 -2.3771 -3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7772 -1.1146 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1628 -2.1123 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6777 -2.6163 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0510 -4.3193 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7434 -3.9352 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1283 -0.8293 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8435 -1.6102 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7935 -1.2243 3.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6242 0.0350 3.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1232 0.2413 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9942 1.5664 2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0809 1.8584 3.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8924 3.0666 4.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7965 1.6391 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0335 2.8947 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9423 4.3893 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4669 4.1258 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9433 3.1237 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7953 5.5361 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5361 5.3317 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0798 5.0368 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5831 3.4903 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8322 1.8722 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1998 3.1325 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6420 2.7959 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2985 2.0345 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0079 3.8714 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9796 2.4631 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6519 3.6976 -2.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0799 0.9913 -2.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4270 1.5055 -3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9087 2.0858 -4.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5926 4.4772 -3.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6145 3.2511 -2.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8825 4.6230 -1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3727 1.1558 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1391 -1.7035 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 -2.2197 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7945 -0.5350 -2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8917 -1.7570 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3783 -2.1013 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7136 -2.9973 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2571 -3.1982 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5668 -3.4010 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1046 -3.5982 3.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6495 -3.1959 3.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2762 -0.9583 3.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4244 -1.4470 3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0984 0.3120 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8018 1.0789 2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0731 -0.6085 2.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 1.1056 4.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2999 2.3248 2.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8953 2.5778 4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6727 0.2016 4.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7443 0.5535 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8532 1.5284 4.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3308 3.1241 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8631 3.9695 3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9561 2.7104 2.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8219 2.0563 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6608 2.7751 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 0.5431 -2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 2.2378 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3058 2.0065 -4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9066 4.0838 -3.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5799 3.5415 -3.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1326 3.4870 -4.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 1.2955 -5.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2156 1.2442 -4.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9245 -0.0195 -4.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0430 -0.3061 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8194 0.6001 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6540 1.4866 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5394 1.6281 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5519 -1.9616 -2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2694 -1.2073 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7958 -0.4472 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9882 -1.6759 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2944 -2.2267 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0137 -4.4108 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7278 -3.8680 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7764 -4.7936 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6304 -4.7812 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1203 -3.1613 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4191 -0.8110 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4072 -2.0221 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0115 0.3551 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2782 0.0134 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1242 1.9132 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8544 -2.5276 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7524 -0.7520 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7521 -2.1546 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9539 0.1760 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1837 -0.0939 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3067 0.8299 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8894 -2.8281 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2971 -1.7749 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9290 -1.1902 2.2389 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 1
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
14 16 2 0
11 17 1 0
17 18 2 0
17 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
20 25 1 0
25 26 2 0
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
30 32 1 0
28 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
36 38 1 0
36 39 1 1
39 40 2 0
39 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
51 53 1 0
49 54 1 0
54 55 2 0
54 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
59 61 1 0
57 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
65 67 1 0
65 68 1 1
68 69 2 0
68 70 1 0
70 71 1 0
71 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 2 0
75 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
78 81 1 0
81 82 1 0
82 83 1 0
82 84 1 0
45 41 1 0
74 70 1 0
1 85 1 0
1 86 1 0
1 87 1 0
4 88 1 0
6 89 1 0
6 90 1 0
6 91 1 0
7 92 1 0
7 93 1 0
7 94 1 0
10 95 1 0
11 96 1 1
12 97 1 0
12 98 1 0
13 99 1 0
13100 1 0
15101 1 0
15102 1 0
19103 1 0
20104 1 1
21105 1 0
21106 1 0
22107 1 6
23108 1 0
23109 1 0
23110 1 0
24111 1 0
24112 1 0
24113 1 0
27114 1 0
28115 1 1
29116 1 0
29117 1 0
30118 1 6
31119 1 0
31120 1 0
31121 1 0
32122 1 0
32123 1 0
32124 1 0
35125 1 0
37126 1 0
37127 1 0
37128 1 0
38129 1 0
38130 1 0
38131 1 0
42132 1 0
42133 1 0
43134 1 0
43135 1 0
44136 1 0
44137 1 0
45138 1 1
48139 1 0
49140 1 1
50141 1 0
50142 1 0
51143 1 1
52144 1 0
52145 1 0
52146 1 0
53147 1 0
53148 1 0
53149 1 0
56150 1 0
57151 1 1
58152 1 0
58153 1 0
59154 1 6
60155 1 0
60156 1 0
60157 1 0
61158 1 0
61159 1 0
61160 1 0
64161 1 0
66162 1 0
66163 1 0
66164 1 0
67165 1 0
67166 1 0
67167 1 0
71168 1 0
71169 1 0
72170 1 0
72171 1 0
73172 1 0
73173 1 0
74174 1 6
77175 1 0
78176 1 6
79177 1 0
79178 1 0
80179 1 0
81180 1 0
81181 1 0
82182 1 6
83183 1 0
83184 1 0
83185 1 0
84186 1 0
84187 1 0
84188 1 0
M END
3D SDF for NP0022365 (Trichorovin-XIV)
Mrv1652307042108073D
188189 0 0 0 0 999 V2000
-10.5303 -5.5106 -3.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0572 -4.2854 -2.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4541 -3.2070 -2.5741 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2485 -4.3279 -1.6518 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.7939 -3.1305 -1.0330 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.0676 -2.1279 -2.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.1592 -3.5142 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9480 -2.5768 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9190 -3.1483 0.4733 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2857 -1.3308 0.6336 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4918 -0.7318 1.6961 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.2983 -0.3108 2.8610 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.3940 0.6640 2.5706 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.1310 1.0746 3.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.1196 2.0821 3.7511 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.8640 0.5206 4.8956 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4786 0.2026 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8429 -0.1421 0.1622 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2079 1.4290 1.7928 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2657 2.3988 1.4045 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7424 3.6040 0.7066 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.4603 3.5226 -0.5775 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7398 5.0175 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8657 2.9421 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9088 1.9498 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3452 1.1983 2.0241 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0824 2.2508 0.0244 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7448 1.9102 -0.1479 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0537 2.8491 -1.0618 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.4993 3.0338 -2.4579 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.4704 1.8181 -3.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7216 3.8613 -2.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3033 0.4981 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0893 -0.3618 -0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9103 0.2603 -0.2153 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 -0.9435 -0.3537 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1034 -1.3413 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8127 -2.0205 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 -0.6311 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 0.6113 0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 -1.3738 0.9228 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7458 -2.7951 1.1365 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6747 -2.9068 2.6659 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3969 -1.4934 3.1505 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1273 -0.7893 1.8182 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5440 -0.9999 1.8622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0786 -2.1168 1.7656 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4009 0.1398 2.0476 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 0.3684 2.2435 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8923 1.4389 3.2796 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1676 1.9388 3.7429 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1325 0.9487 4.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8704 2.9466 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6359 0.3764 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 -0.5782 0.9912 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6766 1.2991 0.0847 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4644 1.5885 -1.0604 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7593 1.5472 -2.3031 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2538 1.9115 -3.6177 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7456 3.3639 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1587 1.0522 -4.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8252 1.0971 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3854 1.5690 0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5389 0.1946 -1.5354 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9039 -0.2808 -1.3531 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7834 1.0059 -1.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2036 -1.0924 -2.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1567 -0.8988 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5636 -0.3827 0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9890 -2.0049 0.1723 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2252 -2.3918 1.5986 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7012 -3.8016 1.5803 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6824 -4.2665 0.1680 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6690 -2.9281 -0.6358 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0519 -2.5582 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6076 -3.3544 -1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7505 -1.4972 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1600 -1.2719 -0.8723 C 0 0 1 0 0 0 0 0 0 0 0 0
14.1211 0.0676 -1.5127 C 0 0 1 0 0 0 0 0 0 0 0 0
13.7072 1.0558 -0.6163 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0201 -1.4700 0.3071 C 0 0 2 0 0 0 0 0 0 0 0 0
16.4774 -1.3505 0.0836 C 0 0 1 0 0 0 0 0 0 0 0 0
16.9474 -0.0348 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2022 -1.7895 1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3398 -6.2707 -3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6577 -5.9279 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2199 -5.2692 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7242 -5.2506 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5481 -2.3771 -3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7772 -1.1146 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1628 -2.1123 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6777 -2.6163 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0510 -4.3193 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7434 -3.9352 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1283 -0.8293 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8435 -1.6102 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7935 -1.2243 3.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6242 0.0350 3.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1232 0.2413 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9942 1.5664 2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0809 1.8584 3.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8924 3.0666 4.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7965 1.6391 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0335 2.8947 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9423 4.3893 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4669 4.1258 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9433 3.1237 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7953 5.5361 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5361 5.3317 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0798 5.0368 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5831 3.4903 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8322 1.8722 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1998 3.1325 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6420 2.7959 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2985 2.0345 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0079 3.8714 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9796 2.4631 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6519 3.6976 -2.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0799 0.9913 -2.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4270 1.5055 -3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9087 2.0858 -4.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5926 4.4772 -3.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6145 3.2511 -2.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8825 4.6230 -1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3727 1.1558 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1391 -1.7035 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 -2.2197 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7945 -0.5350 -2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8917 -1.7570 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3783 -2.1013 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7136 -2.9973 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2571 -3.1982 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5668 -3.4010 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1046 -3.5982 3.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6495 -3.1959 3.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2762 -0.9583 3.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4244 -1.4470 3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0984 0.3120 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8018 1.0789 2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0731 -0.6085 2.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 1.1056 4.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2999 2.3248 2.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8953 2.5778 4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6727 0.2016 4.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7443 0.5535 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8532 1.5284 4.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3308 3.1241 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8631 3.9695 3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9561 2.7104 2.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8219 2.0563 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6608 2.7751 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 0.5431 -2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 2.2378 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3058 2.0065 -4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9066 4.0838 -3.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5799 3.5415 -3.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1326 3.4870 -4.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 1.2955 -5.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2156 1.2442 -4.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9245 -0.0195 -4.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0430 -0.3061 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8194 0.6001 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6540 1.4866 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5394 1.6281 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5519 -1.9616 -2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2694 -1.2073 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7958 -0.4472 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9882 -1.6759 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2944 -2.2267 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0137 -4.4108 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7278 -3.8680 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7764 -4.7936 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6304 -4.7812 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1203 -3.1613 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4191 -0.8110 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4072 -2.0221 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0115 0.3551 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2782 0.0134 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1242 1.9132 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8544 -2.5276 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7524 -0.7520 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7521 -2.1546 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9539 0.1760 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1837 -0.0939 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3067 0.8299 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8894 -2.8281 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2971 -1.7749 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9290 -1.1902 2.2389 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 1 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
11 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 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
20 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
28 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
36 39 1 1 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 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
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
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
49 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 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
57 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
65 67 1 0 0 0 0
65 68 1 1 0 0 0
68 69 2 0 0 0 0
68 70 1 0 0 0 0
70 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
75 76 2 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
78 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
45 41 1 0 0 0 0
74 70 1 0 0 0 0
1 85 1 0 0 0 0
1 86 1 0 0 0 0
1 87 1 0 0 0 0
4 88 1 0 0 0 0
6 89 1 0 0 0 0
6 90 1 0 0 0 0
6 91 1 0 0 0 0
7 92 1 0 0 0 0
7 93 1 0 0 0 0
7 94 1 0 0 0 0
10 95 1 0 0 0 0
11 96 1 1 0 0 0
12 97 1 0 0 0 0
12 98 1 0 0 0 0
13 99 1 0 0 0 0
13100 1 0 0 0 0
15101 1 0 0 0 0
15102 1 0 0 0 0
19103 1 0 0 0 0
20104 1 1 0 0 0
21105 1 0 0 0 0
21106 1 0 0 0 0
22107 1 6 0 0 0
23108 1 0 0 0 0
23109 1 0 0 0 0
23110 1 0 0 0 0
24111 1 0 0 0 0
24112 1 0 0 0 0
24113 1 0 0 0 0
27114 1 0 0 0 0
28115 1 1 0 0 0
29116 1 0 0 0 0
29117 1 0 0 0 0
30118 1 6 0 0 0
31119 1 0 0 0 0
31120 1 0 0 0 0
31121 1 0 0 0 0
32122 1 0 0 0 0
32123 1 0 0 0 0
32124 1 0 0 0 0
35125 1 0 0 0 0
37126 1 0 0 0 0
37127 1 0 0 0 0
37128 1 0 0 0 0
38129 1 0 0 0 0
38130 1 0 0 0 0
38131 1 0 0 0 0
42132 1 0 0 0 0
42133 1 0 0 0 0
43134 1 0 0 0 0
43135 1 0 0 0 0
44136 1 0 0 0 0
44137 1 0 0 0 0
45138 1 1 0 0 0
48139 1 0 0 0 0
49140 1 1 0 0 0
50141 1 0 0 0 0
50142 1 0 0 0 0
51143 1 1 0 0 0
52144 1 0 0 0 0
52145 1 0 0 0 0
52146 1 0 0 0 0
53147 1 0 0 0 0
53148 1 0 0 0 0
53149 1 0 0 0 0
56150 1 0 0 0 0
57151 1 1 0 0 0
58152 1 0 0 0 0
58153 1 0 0 0 0
59154 1 6 0 0 0
60155 1 0 0 0 0
60156 1 0 0 0 0
60157 1 0 0 0 0
61158 1 0 0 0 0
61159 1 0 0 0 0
61160 1 0 0 0 0
64161 1 0 0 0 0
66162 1 0 0 0 0
66163 1 0 0 0 0
66164 1 0 0 0 0
67165 1 0 0 0 0
67166 1 0 0 0 0
67167 1 0 0 0 0
71168 1 0 0 0 0
71169 1 0 0 0 0
72170 1 0 0 0 0
72171 1 0 0 0 0
73172 1 0 0 0 0
73173 1 0 0 0 0
74174 1 6 0 0 0
77175 1 0 0 0 0
78176 1 6 0 0 0
79177 1 0 0 0 0
79178 1 0 0 0 0
80179 1 0 0 0 0
81180 1 0 0 0 0
81181 1 0 0 0 0
82182 1 6 0 0 0
83183 1 0 0 0 0
83184 1 0 0 0 0
83185 1 0 0 0 0
84186 1 0 0 0 0
84187 1 0 0 0 0
84188 1 0 0 0 0
M END
> <DATABASE_ID>
NP0022365
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[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])(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(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])C([H])([H])C(=O)N([H])[H])C([H])([H])C([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])C2([H])[H])C([H])([H])C([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])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C59H104N12O13/c1-32(2)26-38(31-72)61-52(80)44-20-18-24-70(44)55(83)58(14,15)68-51(79)43(30-36(9)10)64-49(77)41(28-34(5)6)65-53(81)45-21-19-25-71(45)56(84)59(16,17)69-50(78)42(29-35(7)8)63-48(76)40(27-33(3)4)62-47(75)39(22-23-46(60)74)66-54(82)57(12,13)67-37(11)73/h32-36,38-45,72H,18-31H2,1-17H3,(H2,60,74)(H,61,80)(H,62,75)(H,63,76)(H,64,77)(H,65,81)(H,66,82)(H,67,73)(H,68,79)(H,69,78)/t38-,39-,40-,41-,42-,43-,44-,45+/m1/s1
> <INCHI_KEY>
AZVYXIJWLJXPIE-UHFFFAOYSA-N
> <FORMULA>
C59H104N12O13
> <MOLECULAR_WEIGHT>
1189.552
> <EXACT_MASS>
1188.784581457
> <JCHEM_ACCEPTOR_COUNT>
13
> <JCHEM_ATOM_COUNT>
188
> <JCHEM_AVERAGE_POLARIZABILITY>
132.7164909860991
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
11
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-2-(2-acetamido-2-methylpropanamido)-N-(1-{[(1R)-1-({1-[(2S)-2-{[(1R)-1-{[1-({1-[(2R)-2-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl)pentanediamide
> <ALOGPS_LOGP>
2.46
> <JCHEM_LOGP>
0.5087570533333312
> <ALOGPS_LOGS>
-4.83
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.893362255827002
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.512589530611876
> <JCHEM_POLAR_SURFACE_AREA>
365.8399999999999
> <JCHEM_REFRACTIVITY>
313.5464000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
33
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.78e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-(2-acetamido-2-methylpropanamido)-N-(1-{[(1R)-1-({1-[(2S)-2-{[(1R)-1-{[1-({1-[(2R)-2-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl)pentanediamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0022365 (Trichorovin-XIV)
RDKit 3D
188189 0 0 0 0 0 0 0 0999 V2000
-10.5303 -5.5106 -3.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0572 -4.2854 -2.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4541 -3.2070 -2.5741 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2485 -4.3279 -1.6518 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.7939 -3.1305 -1.0330 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.0676 -2.1279 -2.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.1592 -3.5142 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.9480 -2.5768 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9190 -3.1483 0.4733 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.2857 -1.3308 0.6336 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4918 -0.7318 1.6961 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.2983 -0.3108 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3940 0.6640 2.5706 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.1310 1.0746 3.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.1196 2.0821 3.7511 N 0 0 0 0 0 0 0 0 0 0 0 0
-13.8640 0.5206 4.8956 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4786 0.2026 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8429 -0.1421 0.1622 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2079 1.4290 1.7928 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2657 2.3988 1.4045 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.7424 3.6040 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4603 3.5226 -0.5775 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7398 5.0175 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8657 2.9421 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9088 1.9498 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3452 1.1983 2.0241 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0824 2.2508 0.0244 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7448 1.9102 -0.1479 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0537 2.8491 -1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4993 3.0338 -2.4579 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.4704 1.8181 -3.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7216 3.8613 -2.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3033 0.4981 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0893 -0.3618 -0.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9103 0.2603 -0.2153 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 -0.9435 -0.3537 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1034 -1.3413 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8127 -2.0205 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 -0.6311 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 0.6113 0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 -1.3738 0.9228 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7458 -2.7951 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6747 -2.9068 2.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3969 -1.4934 3.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1273 -0.7893 1.8182 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5440 -0.9999 1.8622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0786 -2.1168 1.7656 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4009 0.1398 2.0476 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 0.3684 2.2435 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8923 1.4389 3.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1676 1.9388 3.7429 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1325 0.9487 4.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8704 2.9466 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6359 0.3764 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 -0.5782 0.9912 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6766 1.2991 0.0847 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4644 1.5885 -1.0604 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7593 1.5472 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2538 1.9115 -3.6177 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7456 3.3639 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1587 1.0522 -4.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8252 1.0971 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3854 1.5690 0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5389 0.1946 -1.5354 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9039 -0.2808 -1.3531 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7834 1.0059 -1.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2036 -1.0924 -2.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1567 -0.8988 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5636 -0.3827 0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9890 -2.0049 0.1723 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2252 -2.3918 1.5986 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7012 -3.8016 1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6824 -4.2665 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6690 -2.9281 -0.6358 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0519 -2.5582 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6076 -3.3544 -1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7505 -1.4972 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1600 -1.2719 -0.8723 C 0 0 1 0 0 0 0 0 0 0 0 0
14.1211 0.0676 -1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7072 1.0558 -0.6163 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0201 -1.4700 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4774 -1.3505 0.0836 C 0 0 1 0 0 0 0 0 0 0 0 0
16.9474 -0.0348 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2022 -1.7895 1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3398 -6.2707 -3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6577 -5.9279 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2199 -5.2692 -4.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7242 -5.2506 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5481 -2.3771 -3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7772 -1.1146 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1628 -2.1123 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6777 -2.6163 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0510 -4.3193 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7434 -3.9352 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1283 -0.8293 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8435 -1.6102 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7935 -1.2243 3.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6242 0.0350 3.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1232 0.2413 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9942 1.5664 2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0809 1.8584 3.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8924 3.0666 4.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7965 1.6391 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0335 2.8947 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9423 4.3893 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4669 4.1258 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9433 3.1237 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7953 5.5361 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5361 5.3317 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0798 5.0368 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5831 3.4903 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8322 1.8722 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1998 3.1325 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6420 2.7959 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2985 2.0345 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0079 3.8714 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9796 2.4631 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6519 3.6976 -2.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0799 0.9913 -2.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4270 1.5055 -3.5927 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9087 2.0858 -4.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5926 4.4772 -3.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6145 3.2511 -2.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8825 4.6230 -1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3727 1.1558 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1391 -1.7035 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 -2.2197 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7945 -0.5350 -2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8917 -1.7570 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3783 -2.1013 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7136 -2.9973 -0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2571 -3.1982 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5668 -3.4010 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1046 -3.5982 3.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6495 -3.1959 3.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2762 -0.9583 3.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4244 -1.4470 3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0984 0.3120 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8018 1.0789 2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0731 -0.6085 2.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 1.1056 4.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2999 2.3248 2.8632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8953 2.5778 4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6727 0.2016 4.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7443 0.5535 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8532 1.5284 4.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3308 3.1241 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8631 3.9695 3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9561 2.7104 2.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8219 2.0563 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6608 2.7751 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 0.5431 -2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 2.2378 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3058 2.0065 -4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9066 4.0838 -3.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5799 3.5415 -3.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1326 3.4870 -4.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 1.2955 -5.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2156 1.2442 -4.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9245 -0.0195 -4.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0430 -0.3061 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8194 0.6001 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6540 1.4866 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5394 1.6281 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5519 -1.9616 -2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2694 -1.2073 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7958 -0.4472 -3.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9882 -1.6759 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2944 -2.2267 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0137 -4.4108 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7278 -3.8680 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7764 -4.7936 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6304 -4.7812 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1203 -3.1613 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4191 -0.8110 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4072 -2.0221 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0115 0.3551 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2782 0.0134 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1242 1.9132 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8544 -2.5276 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7524 -0.7520 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7521 -2.1546 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9539 0.1760 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1837 -0.0939 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3067 0.8299 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8894 -2.8281 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2971 -1.7749 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9290 -1.1902 2.2389 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 1
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
14 16 2 0
11 17 1 0
17 18 2 0
17 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
20 25 1 0
25 26 2 0
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
30 32 1 0
28 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
36 38 1 0
36 39 1 1
39 40 2 0
39 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
51 53 1 0
49 54 1 0
54 55 2 0
54 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
59 61 1 0
57 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
65 67 1 0
65 68 1 1
68 69 2 0
68 70 1 0
70 71 1 0
71 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 2 0
75 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
78 81 1 0
81 82 1 0
82 83 1 0
82 84 1 0
45 41 1 0
74 70 1 0
1 85 1 0
1 86 1 0
1 87 1 0
4 88 1 0
6 89 1 0
6 90 1 0
6 91 1 0
7 92 1 0
7 93 1 0
7 94 1 0
10 95 1 0
11 96 1 1
12 97 1 0
12 98 1 0
13 99 1 0
13100 1 0
15101 1 0
15102 1 0
19103 1 0
20104 1 1
21105 1 0
21106 1 0
22107 1 6
23108 1 0
23109 1 0
23110 1 0
24111 1 0
24112 1 0
24113 1 0
27114 1 0
28115 1 1
29116 1 0
29117 1 0
30118 1 6
31119 1 0
31120 1 0
31121 1 0
32122 1 0
32123 1 0
32124 1 0
35125 1 0
37126 1 0
37127 1 0
37128 1 0
38129 1 0
38130 1 0
38131 1 0
42132 1 0
42133 1 0
43134 1 0
43135 1 0
44136 1 0
44137 1 0
45138 1 1
48139 1 0
49140 1 1
50141 1 0
50142 1 0
51143 1 1
52144 1 0
52145 1 0
52146 1 0
53147 1 0
53148 1 0
53149 1 0
56150 1 0
57151 1 1
58152 1 0
58153 1 0
59154 1 6
60155 1 0
60156 1 0
60157 1 0
61158 1 0
61159 1 0
61160 1 0
64161 1 0
66162 1 0
66163 1 0
66164 1 0
67165 1 0
67166 1 0
67167 1 0
71168 1 0
71169 1 0
72170 1 0
72171 1 0
73172 1 0
73173 1 0
74174 1 6
77175 1 0
78176 1 6
79177 1 0
79178 1 0
80179 1 0
81180 1 0
81181 1 0
82182 1 6
83183 1 0
83184 1 0
83185 1 0
84186 1 0
84187 1 0
84188 1 0
M END
PDB for NP0022365 (Trichorovin-XIV)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -10.530 -5.511 -3.037 0.00 0.00 C+0 HETATM 2 C UNK 0 -11.057 -4.285 -2.419 0.00 0.00 C+0 HETATM 3 O UNK 0 -10.454 -3.207 -2.574 0.00 0.00 O+0 HETATM 4 N UNK 0 -12.248 -4.328 -1.652 0.00 0.00 N+0 HETATM 5 C UNK 0 -12.794 -3.131 -1.033 0.00 0.00 C+0 HETATM 6 C UNK 0 -13.068 -2.128 -2.122 0.00 0.00 C+0 HETATM 7 C UNK 0 -14.159 -3.514 -0.449 0.00 0.00 C+0 HETATM 8 C UNK 0 -11.948 -2.577 0.038 0.00 0.00 C+0 HETATM 9 O UNK 0 -10.919 -3.148 0.473 0.00 0.00 O+0 HETATM 10 N UNK 0 -12.286 -1.331 0.634 0.00 0.00 N+0 HETATM 11 C UNK 0 -11.492 -0.732 1.696 0.00 0.00 C+0 HETATM 12 C UNK 0 -12.298 -0.311 2.861 0.00 0.00 C+0 HETATM 13 C UNK 0 -13.394 0.664 2.571 0.00 0.00 C+0 HETATM 14 C UNK 0 -14.131 1.075 3.812 0.00 0.00 C+0 HETATM 15 N UNK 0 -15.120 2.082 3.751 0.00 0.00 N+0 HETATM 16 O UNK 0 -13.864 0.521 4.896 0.00 0.00 O+0 HETATM 17 C UNK 0 -10.479 0.203 1.191 0.00 0.00 C+0 HETATM 18 O UNK 0 -9.843 -0.142 0.162 0.00 0.00 O+0 HETATM 19 N UNK 0 -10.208 1.429 1.793 0.00 0.00 N+0 HETATM 20 C UNK 0 -9.266 2.399 1.405 0.00 0.00 C+0 HETATM 21 C UNK 0 -9.742 3.604 0.707 0.00 0.00 C+0 HETATM 22 C UNK 0 -10.460 3.523 -0.578 0.00 0.00 C+0 HETATM 23 C UNK 0 -10.740 5.018 -0.955 0.00 0.00 C+0 HETATM 24 C UNK 0 -11.866 2.942 -0.489 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.909 1.950 1.146 0.00 0.00 C+0 HETATM 26 O UNK 0 -7.345 1.198 2.024 0.00 0.00 O+0 HETATM 27 N UNK 0 -7.082 2.251 0.024 0.00 0.00 N+0 HETATM 28 C UNK 0 -5.745 1.910 -0.148 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.054 2.849 -1.062 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.499 3.034 -2.458 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.470 1.818 -3.337 0.00 0.00 C+0 HETATM 32 C UNK 0 -6.722 3.861 -2.691 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.303 0.498 -0.406 0.00 0.00 C+0 HETATM 34 O UNK 0 -6.089 -0.362 -0.742 0.00 0.00 O+0 HETATM 35 N UNK 0 -3.910 0.260 -0.215 0.00 0.00 N+0 HETATM 36 C UNK 0 -3.110 -0.944 -0.354 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.103 -1.341 -1.810 0.00 0.00 C+0 HETATM 38 C UNK 0 -3.813 -2.021 0.471 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.782 -0.631 0.206 0.00 0.00 C+0 HETATM 40 O UNK 0 -1.424 0.611 0.008 0.00 0.00 O+0 HETATM 41 N UNK 0 -0.831 -1.374 0.923 0.00 0.00 N+0 HETATM 42 C UNK 0 -0.746 -2.795 1.137 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.675 -2.907 2.666 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.397 -1.493 3.151 0.00 0.00 C+0 HETATM 45 C UNK 0 0.127 -0.789 1.818 0.00 0.00 C+0 HETATM 46 C UNK 0 1.544 -1.000 1.862 0.00 0.00 C+0 HETATM 47 O UNK 0 2.079 -2.117 1.766 0.00 0.00 O+0 HETATM 48 N UNK 0 2.401 0.140 2.048 0.00 0.00 N+0 HETATM 49 C UNK 0 3.761 0.368 2.244 0.00 0.00 C+0 HETATM 50 C UNK 0 3.892 1.439 3.280 0.00 0.00 C+0 HETATM 51 C UNK 0 5.168 1.939 3.743 0.00 0.00 C+0 HETATM 52 C UNK 0 6.133 0.949 4.340 0.00 0.00 C+0 HETATM 53 C UNK 0 5.870 2.947 2.886 0.00 0.00 C+0 HETATM 54 C UNK 0 4.636 0.376 1.105 0.00 0.00 C+0 HETATM 55 O UNK 0 5.501 -0.578 0.991 0.00 0.00 O+0 HETATM 56 N UNK 0 4.677 1.299 0.085 0.00 0.00 N+0 HETATM 57 C UNK 0 5.464 1.589 -1.060 0.00 0.00 C+0 HETATM 58 C UNK 0 4.759 1.547 -2.303 0.00 0.00 C+0 HETATM 59 C UNK 0 5.254 1.912 -3.618 0.00 0.00 C+0 HETATM 60 C UNK 0 5.746 3.364 -3.697 0.00 0.00 C+0 HETATM 61 C UNK 0 6.159 1.052 -4.383 0.00 0.00 C+0 HETATM 62 C UNK 0 6.825 1.097 -0.780 0.00 0.00 C+0 HETATM 63 O UNK 0 7.385 1.569 0.287 0.00 0.00 O+0 HETATM 64 N UNK 0 7.539 0.195 -1.535 0.00 0.00 N+0 HETATM 65 C UNK 0 8.904 -0.281 -1.353 0.00 0.00 C+0 HETATM 66 C UNK 0 9.783 1.006 -1.425 0.00 0.00 C+0 HETATM 67 C UNK 0 9.204 -1.092 -2.601 0.00 0.00 C+0 HETATM 68 C UNK 0 9.157 -0.899 -0.087 0.00 0.00 C+0 HETATM 69 O UNK 0 8.564 -0.383 0.946 0.00 0.00 O+0 HETATM 70 N UNK 0 9.989 -2.005 0.172 0.00 0.00 N+0 HETATM 71 C UNK 0 10.225 -2.392 1.599 0.00 0.00 C+0 HETATM 72 C UNK 0 10.701 -3.802 1.580 0.00 0.00 C+0 HETATM 73 C UNK 0 10.682 -4.266 0.168 0.00 0.00 C+0 HETATM 74 C UNK 0 10.669 -2.928 -0.636 0.00 0.00 C+0 HETATM 75 C UNK 0 12.052 -2.558 -0.951 0.00 0.00 C+0 HETATM 76 O UNK 0 12.608 -3.354 -1.824 0.00 0.00 O+0 HETATM 77 N UNK 0 12.751 -1.497 -0.416 0.00 0.00 N+0 HETATM 78 C UNK 0 14.160 -1.272 -0.872 0.00 0.00 C+0 HETATM 79 C UNK 0 14.121 0.068 -1.513 0.00 0.00 C+0 HETATM 80 O UNK 0 13.707 1.056 -0.616 0.00 0.00 O+0 HETATM 81 C UNK 0 15.020 -1.470 0.307 0.00 0.00 C+0 HETATM 82 C UNK 0 16.477 -1.351 0.084 0.00 0.00 C+0 HETATM 83 C UNK 0 16.947 -0.035 -0.394 0.00 0.00 C+0 HETATM 84 C UNK 0 17.202 -1.790 1.360 0.00 0.00 C+0 HETATM 85 H UNK 0 -11.340 -6.271 -3.068 0.00 0.00 H+0 HETATM 86 H UNK 0 -9.658 -5.928 -2.480 0.00 0.00 H+0 HETATM 87 H UNK 0 -10.220 -5.269 -4.097 0.00 0.00 H+0 HETATM 88 H UNK 0 -12.724 -5.251 -1.540 0.00 0.00 H+0 HETATM 89 H UNK 0 -12.548 -2.377 -3.091 0.00 0.00 H+0 HETATM 90 H UNK 0 -12.777 -1.115 -1.755 0.00 0.00 H+0 HETATM 91 H UNK 0 -14.163 -2.112 -2.356 0.00 0.00 H+0 HETATM 92 H UNK 0 -14.678 -2.616 -0.109 0.00 0.00 H+0 HETATM 93 H UNK 0 -14.051 -4.319 0.292 0.00 0.00 H+0 HETATM 94 H UNK 0 -14.743 -3.935 -1.319 0.00 0.00 H+0 HETATM 95 H UNK 0 -13.128 -0.829 0.298 0.00 0.00 H+0 HETATM 96 H UNK 0 -10.844 -1.610 2.087 0.00 0.00 H+0 HETATM 97 H UNK 0 -12.793 -1.224 3.270 0.00 0.00 H+0 HETATM 98 H UNK 0 -11.624 0.035 3.667 0.00 0.00 H+0 HETATM 99 H UNK 0 -14.123 0.241 1.825 0.00 0.00 H+0 HETATM 100 H UNK 0 -12.994 1.566 2.103 0.00 0.00 H+0 HETATM 101 H UNK 0 -16.081 1.858 3.424 0.00 0.00 H+0 HETATM 102 H UNK 0 -14.892 3.067 4.036 0.00 0.00 H+0 HETATM 103 H UNK 0 -10.797 1.639 2.668 0.00 0.00 H+0 HETATM 104 H UNK 0 -9.034 2.895 2.517 0.00 0.00 H+0 HETATM 105 H UNK 0 -8.942 4.389 0.592 0.00 0.00 H+0 HETATM 106 H UNK 0 -10.467 4.126 1.423 0.00 0.00 H+0 HETATM 107 H UNK 0 -9.943 3.124 -1.444 0.00 0.00 H+0 HETATM 108 H UNK 0 -9.795 5.536 -0.789 0.00 0.00 H+0 HETATM 109 H UNK 0 -11.536 5.332 -0.257 0.00 0.00 H+0 HETATM 110 H UNK 0 -11.080 5.037 -2.007 0.00 0.00 H+0 HETATM 111 H UNK 0 -12.583 3.490 -1.138 0.00 0.00 H+0 HETATM 112 H UNK 0 -11.832 1.872 -0.676 0.00 0.00 H+0 HETATM 113 H UNK 0 -12.200 3.132 0.547 0.00 0.00 H+0 HETATM 114 H UNK 0 -7.642 2.796 -0.718 0.00 0.00 H+0 HETATM 115 H UNK 0 -5.298 2.034 0.932 0.00 0.00 H+0 HETATM 116 H UNK 0 -5.008 3.871 -0.589 0.00 0.00 H+0 HETATM 117 H UNK 0 -3.980 2.463 -1.150 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.652 3.698 -2.924 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.080 0.991 -2.983 0.00 0.00 H+0 HETATM 120 H UNK 0 -4.427 1.506 -3.593 0.00 0.00 H+0 HETATM 121 H UNK 0 -5.909 2.086 -4.352 0.00 0.00 H+0 HETATM 122 H UNK 0 -6.593 4.477 -3.645 0.00 0.00 H+0 HETATM 123 H UNK 0 -7.614 3.251 -2.898 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.883 4.623 -1.909 0.00 0.00 H+0 HETATM 125 H UNK 0 -3.373 1.156 0.113 0.00 0.00 H+0 HETATM 126 H UNK 0 -4.139 -1.704 -2.030 0.00 0.00 H+0 HETATM 127 H UNK 0 -2.434 -2.220 -1.986 0.00 0.00 H+0 HETATM 128 H UNK 0 -2.795 -0.535 -2.486 0.00 0.00 H+0 HETATM 129 H UNK 0 -4.892 -1.757 0.627 0.00 0.00 H+0 HETATM 130 H UNK 0 -3.378 -2.101 1.464 0.00 0.00 H+0 HETATM 131 H UNK 0 -3.714 -2.997 -0.050 0.00 0.00 H+0 HETATM 132 H UNK 0 0.257 -3.198 0.801 0.00 0.00 H+0 HETATM 133 H UNK 0 -1.567 -3.401 0.788 0.00 0.00 H+0 HETATM 134 H UNK 0 0.105 -3.598 3.005 0.00 0.00 H+0 HETATM 135 H UNK 0 -1.650 -3.196 3.077 0.00 0.00 H+0 HETATM 136 H UNK 0 -1.276 -0.958 3.502 0.00 0.00 H+0 HETATM 137 H UNK 0 0.424 -1.447 3.868 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.098 0.312 1.959 0.00 0.00 H+0 HETATM 139 H UNK 0 1.802 1.079 2.015 0.00 0.00 H+0 HETATM 140 H UNK 0 4.073 -0.609 2.887 0.00 0.00 H+0 HETATM 141 H UNK 0 3.234 1.106 4.143 0.00 0.00 H+0 HETATM 142 H UNK 0 3.300 2.325 2.863 0.00 0.00 H+0 HETATM 143 H UNK 0 4.895 2.578 4.693 0.00 0.00 H+0 HETATM 144 H UNK 0 5.673 0.202 4.975 0.00 0.00 H+0 HETATM 145 H UNK 0 6.744 0.554 3.517 0.00 0.00 H+0 HETATM 146 H UNK 0 6.853 1.528 4.995 0.00 0.00 H+0 HETATM 147 H UNK 0 5.331 3.124 1.927 0.00 0.00 H+0 HETATM 148 H UNK 0 5.863 3.970 3.365 0.00 0.00 H+0 HETATM 149 H UNK 0 6.956 2.710 2.739 0.00 0.00 H+0 HETATM 150 H UNK 0 3.822 2.056 0.149 0.00 0.00 H+0 HETATM 151 H UNK 0 5.661 2.775 -0.893 0.00 0.00 H+0 HETATM 152 H UNK 0 4.164 0.543 -2.397 0.00 0.00 H+0 HETATM 153 H UNK 0 3.819 2.238 -2.150 0.00 0.00 H+0 HETATM 154 H UNK 0 4.306 2.006 -4.342 0.00 0.00 H+0 HETATM 155 H UNK 0 4.907 4.084 -3.610 0.00 0.00 H+0 HETATM 156 H UNK 0 6.580 3.542 -3.014 0.00 0.00 H+0 HETATM 157 H UNK 0 6.133 3.487 -4.735 0.00 0.00 H+0 HETATM 158 H UNK 0 6.098 1.296 -5.499 0.00 0.00 H+0 HETATM 159 H UNK 0 7.216 1.244 -4.053 0.00 0.00 H+0 HETATM 160 H UNK 0 5.925 -0.020 -4.308 0.00 0.00 H+0 HETATM 161 H UNK 0 7.043 -0.306 -2.333 0.00 0.00 H+0 HETATM 162 H UNK 0 10.819 0.600 -1.367 0.00 0.00 H+0 HETATM 163 H UNK 0 9.654 1.487 -2.405 0.00 0.00 H+0 HETATM 164 H UNK 0 9.539 1.628 -0.552 0.00 0.00 H+0 HETATM 165 H UNK 0 8.552 -1.962 -2.590 0.00 0.00 H+0 HETATM 166 H UNK 0 10.269 -1.207 -2.702 0.00 0.00 H+0 HETATM 167 H UNK 0 8.796 -0.447 -3.453 0.00 0.00 H+0 HETATM 168 H UNK 0 10.988 -1.676 1.979 0.00 0.00 H+0 HETATM 169 H UNK 0 9.294 -2.227 2.195 0.00 0.00 H+0 HETATM 170 H UNK 0 10.014 -4.411 2.214 0.00 0.00 H+0 HETATM 171 H UNK 0 11.728 -3.868 2.036 0.00 0.00 H+0 HETATM 172 H UNK 0 9.776 -4.794 -0.124 0.00 0.00 H+0 HETATM 173 H UNK 0 11.630 -4.781 -0.123 0.00 0.00 H+0 HETATM 174 H UNK 0 10.120 -3.161 -1.590 0.00 0.00 H+0 HETATM 175 H UNK 0 12.419 -0.811 0.285 0.00 0.00 H+0 HETATM 176 H UNK 0 14.407 -2.022 -1.667 0.00 0.00 H+0 HETATM 177 H UNK 0 15.011 0.355 -2.081 0.00 0.00 H+0 HETATM 178 H UNK 0 13.278 0.013 -2.281 0.00 0.00 H+0 HETATM 179 H UNK 0 14.124 1.913 -0.811 0.00 0.00 H+0 HETATM 180 H UNK 0 14.854 -2.528 0.719 0.00 0.00 H+0 HETATM 181 H UNK 0 14.752 -0.752 1.146 0.00 0.00 H+0 HETATM 182 H UNK 0 16.752 -2.155 -0.669 0.00 0.00 H+0 HETATM 183 H UNK 0 17.954 0.176 0.118 0.00 0.00 H+0 HETATM 184 H UNK 0 17.184 -0.094 -1.481 0.00 0.00 H+0 HETATM 185 H UNK 0 16.307 0.830 -0.168 0.00 0.00 H+0 HETATM 186 H UNK 0 16.889 -2.828 1.565 0.00 0.00 H+0 HETATM 187 H UNK 0 18.297 -1.775 1.129 0.00 0.00 H+0 HETATM 188 H UNK 0 16.929 -1.190 2.239 0.00 0.00 H+0 CONECT 1 2 85 86 87 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 88 CONECT 5 4 6 7 8 CONECT 6 5 89 90 91 CONECT 7 5 92 93 94 CONECT 8 5 9 10 CONECT 9 8 CONECT 10 8 11 95 CONECT 11 10 12 17 96 CONECT 12 11 13 97 98 CONECT 13 12 14 99 100 CONECT 14 13 15 16 CONECT 15 14 101 102 CONECT 16 14 CONECT 17 11 18 19 CONECT 18 17 CONECT 19 17 20 103 CONECT 20 19 21 25 104 CONECT 21 20 22 105 106 CONECT 22 21 23 24 107 CONECT 23 22 108 109 110 CONECT 24 22 111 112 113 CONECT 25 20 26 27 CONECT 26 25 CONECT 27 25 28 114 CONECT 28 27 29 33 115 CONECT 29 28 30 116 117 CONECT 30 29 31 32 118 CONECT 31 30 119 120 121 CONECT 32 30 122 123 124 CONECT 33 28 34 35 CONECT 34 33 CONECT 35 33 36 125 CONECT 36 35 37 38 39 CONECT 37 36 126 127 128 CONECT 38 36 129 130 131 CONECT 39 36 40 41 CONECT 40 39 CONECT 41 39 42 45 CONECT 42 41 43 132 133 CONECT 43 42 44 134 135 CONECT 44 43 45 136 137 CONECT 45 44 46 41 138 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 139 CONECT 49 48 50 54 140 CONECT 50 49 51 141 142 CONECT 51 50 52 53 143 CONECT 52 51 144 145 146 CONECT 53 51 147 148 149 CONECT 54 49 55 56 CONECT 55 54 CONECT 56 54 57 150 CONECT 57 56 58 62 151 CONECT 58 57 59 152 153 CONECT 59 58 60 61 154 CONECT 60 59 155 156 157 CONECT 61 59 158 159 160 CONECT 62 57 63 64 CONECT 63 62 CONECT 64 62 65 161 CONECT 65 64 66 67 68 CONECT 66 65 162 163 164 CONECT 67 65 165 166 167 CONECT 68 65 69 70 CONECT 69 68 CONECT 70 68 71 74 CONECT 71 70 72 168 169 CONECT 72 71 73 170 171 CONECT 73 72 74 172 173 CONECT 74 73 75 70 174 CONECT 75 74 76 77 CONECT 76 75 CONECT 77 75 78 175 CONECT 78 77 79 81 176 CONECT 79 78 80 177 178 CONECT 80 79 179 CONECT 81 78 82 180 181 CONECT 82 81 83 84 182 CONECT 83 82 183 184 185 CONECT 84 82 186 187 188 CONECT 85 1 CONECT 86 1 CONECT 87 1 CONECT 88 4 CONECT 89 6 CONECT 90 6 CONECT 91 6 CONECT 92 7 CONECT 93 7 CONECT 94 7 CONECT 95 10 CONECT 96 11 CONECT 97 12 CONECT 98 12 CONECT 99 13 CONECT 100 13 CONECT 101 15 CONECT 102 15 CONECT 103 19 CONECT 104 20 CONECT 105 21 CONECT 106 21 CONECT 107 22 CONECT 108 23 CONECT 109 23 CONECT 110 23 CONECT 111 24 CONECT 112 24 CONECT 113 24 CONECT 114 27 CONECT 115 28 CONECT 116 29 CONECT 117 29 CONECT 118 30 CONECT 119 31 CONECT 120 31 CONECT 121 31 CONECT 122 32 CONECT 123 32 CONECT 124 32 CONECT 125 35 CONECT 126 37 CONECT 127 37 CONECT 128 37 CONECT 129 38 CONECT 130 38 CONECT 131 38 CONECT 132 42 CONECT 133 42 CONECT 134 43 CONECT 135 43 CONECT 136 44 CONECT 137 44 CONECT 138 45 CONECT 139 48 CONECT 140 49 CONECT 141 50 CONECT 142 50 CONECT 143 51 CONECT 144 52 CONECT 145 52 CONECT 146 52 CONECT 147 53 CONECT 148 53 CONECT 149 53 CONECT 150 56 CONECT 151 57 CONECT 152 58 CONECT 153 58 CONECT 154 59 CONECT 155 60 CONECT 156 60 CONECT 157 60 CONECT 158 61 CONECT 159 61 CONECT 160 61 CONECT 161 64 CONECT 162 66 CONECT 163 66 CONECT 164 66 CONECT 165 67 CONECT 166 67 CONECT 167 67 CONECT 168 71 CONECT 169 71 CONECT 170 72 CONECT 171 72 CONECT 172 73 CONECT 173 73 CONECT 174 74 CONECT 175 77 CONECT 176 78 CONECT 177 79 CONECT 178 79 CONECT 179 80 CONECT 180 81 CONECT 181 81 CONECT 182 82 CONECT 183 83 CONECT 184 83 CONECT 185 83 CONECT 186 84 CONECT 187 84 CONECT 188 84 MASTER 0 0 0 0 0 0 0 0 188 0 378 0 END SMILES for NP0022365 (Trichorovin-XIV)[H]OC([H])([H])[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])(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(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])C([H])([H])C(=O)N([H])[H])C([H])([H])C([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])C2([H])[H])C([H])([H])C([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])([H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0022365 (Trichorovin-XIV)InChI=1S/C59H104N12O13/c1-32(2)26-38(31-72)61-52(80)44-20-18-24-70(44)55(83)58(14,15)68-51(79)43(30-36(9)10)64-49(77)41(28-34(5)6)65-53(81)45-21-19-25-71(45)56(84)59(16,17)69-50(78)42(29-35(7)8)63-48(76)40(27-33(3)4)62-47(75)39(22-23-46(60)74)66-54(82)57(12,13)67-37(11)73/h32-36,38-45,72H,18-31H2,1-17H3,(H2,60,74)(H,61,80)(H,62,75)(H,63,76)(H,64,77)(H,65,81)(H,66,82)(H,67,73)(H,68,79)(H,69,78)/t38-,39-,40-,41-,42-,43-,44-,45+/m1/s1 3D Structure for NP0022365 (Trichorovin-XIV) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C59H104N12O13 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1189.5520 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1188.78458 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-2-(2-acetamido-2-methylpropanamido)-N-(1-{[(1R)-1-({1-[(2S)-2-{[(1R)-1-{[1-({1-[(2R)-2-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl)pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R)-2-(2-acetamido-2-methylpropanamido)-N-(1-{[(1R)-1-({1-[(2S)-2-{[(1R)-1-{[1-({1-[(2R)-2-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl)pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)CC(CO)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(C)=O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C59H104N12O13/c1-32(2)26-38(31-72)61-52(80)44-20-18-24-70(44)55(83)58(14,15)68-51(79)43(30-36(9)10)64-49(77)41(28-34(5)6)65-53(81)45-21-19-25-71(45)56(84)59(16,17)69-50(78)42(29-35(7)8)63-48(76)40(27-33(3)4)62-47(75)39(22-23-46(60)74)66-54(82)57(12,13)67-37(11)73/h32-36,38-45,72H,18-31H2,1-17H3,(H2,60,74)(H,61,80)(H,62,75)(H,63,76)(H,64,77)(H,65,81)(H,66,82)(H,67,73)(H,68,79)(H,69,78) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AZVYXIJWLJXPIE-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 | NPA014090 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444274 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139587012 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
