Showing NP-Card for neamphamide C (NP0037154)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-06-20 20:08:35 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-06-30 00:09:11 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0037154 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | neamphamide C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | JEOL Database | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | neamphamide C is found in Neamphius huxleyi. neamphamide C was first documented in 2012 (Tran, T. D., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0037154 (neamphamide C)
Mrv1652306202122083D
229231 0 0 0 0 999 V2000
1.5337 4.4910 6.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 3.2454 6.1987 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2379 3.3720 4.8014 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2342 3.6485 4.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5955 4.5437 3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9373 4.7360 3.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9247 4.0313 3.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2212 4.1991 3.4435 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 3.1656 4.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2538 2.9847 5.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7242 2.1186 4.0092 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1726 1.8712 4.1481 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 2.4306 3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3531 1.9180 3.9883 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2949 3.6898 2.7122 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1892 3.8354 1.6545 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3056 5.0849 0.7725 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0916 6.3529 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 6.3943 2.6750 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4889 7.4593 0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6593 3.9218 2.1374 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3845 5.0577 2.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2821 3.2125 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2612 3.6800 0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8029 1.7832 0.7439 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7183 0.7650 1.4570 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0462 -0.5905 1.7586 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9951 -1.4651 2.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6225 -1.3400 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8856 1.5858 -0.7137 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9864 2.1388 -1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1053 2.9037 -1.2157 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1261 1.6483 -3.0639 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5023 0.2551 -3.2293 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1101 -0.5400 -4.3897 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4541 -1.9170 -4.5048 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0923 -2.6937 -5.5447 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9007 -4.0102 -5.7641 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1499 -4.8088 -5.0974 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5950 -4.4795 -6.8068 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7005 2.5564 -4.1407 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 3.0020 -4.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3485 3.4264 -5.6803 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2854 3.0656 -3.5527 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9211 4.5637 -3.3344 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0866 5.4898 -3.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 5.0954 -4.4966 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 2.3786 -4.1058 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 1.5381 -3.4931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8679 1.3570 -4.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5919 0.8568 -2.1540 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0203 -0.4780 -2.1084 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6882 -1.6102 -2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9173 -1.5865 -2.5456 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1539 -2.9114 -2.6621 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2814 -2.5640 -3.5255 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5276 -3.1460 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7972 -4.0120 -2.6136 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5430 -2.6685 -4.5115 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0852 -3.1657 -5.7838 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6677 -1.1340 -4.6178 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3418 -0.6193 -4.8273 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5559 -0.4428 -3.5274 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1917 1.0344 -3.2808 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1717 1.7766 -2.3634 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8114 3.2594 -2.2722 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6028 3.9171 -1.2557 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1918 4.1080 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0838 3.6749 0.5017 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.0482 4.8267 0.7516 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7675 -1.1902 -2.2905 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8502 -1.3491 -1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6806 -0.9883 -1.3865 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4016 -2.1361 -0.0579 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9619 -1.4670 1.2402 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5293 -0.0698 1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6055 0.9233 1.2937 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7315 0.1614 1.1798 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9419 -3.5182 -0.1611 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 -4.5304 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3880 -4.3434 1.4056 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9347 -5.9152 0.2809 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6600 -6.4672 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0858 -6.8694 1.4905 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.4774 -7.0946 1.7385 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3845 -6.4294 2.8054 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9673 -5.8984 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2773 -7.5693 3.8592 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6126 -8.0896 4.4328 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5143 -8.2528 5.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9982 -9.4387 3.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 -4.0771 -3.2551 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0240 -4.8793 -4.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2870 -5.0480 -2.1818 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3372 -4.3849 -1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 -5.6715 -1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3698 -6.8031 -1.8057 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 -5.2051 -0.2349 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3026 1.7660 -0.9437 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1441 2.1991 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9674 1.2299 0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3292 0.4166 1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8691 0.1822 1.1372 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3643 -0.1697 2.1016 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8867 -1.5227 1.5936 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3181 -2.7491 2.3015 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0567 -2.4712 2.8709 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0236 -1.3440 3.8882 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8538 -0.2069 3.4838 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0297 0.7982 4.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7415 0.5742 5.6208 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5551 4.9764 6.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7678 4.2992 7.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3044 5.1507 6.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 4.2266 4.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1623 5.1017 2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2052 5.4210 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7605 3.5432 3.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3576 2.6179 5.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0061 2.3054 6.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 2.2734 2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 1.1537 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1367 4.5010 3.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2198 3.9063 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1315 2.9436 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 5.0495 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2790 5.1257 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8713 7.2847 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4154 5.1135 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4077 4.9606 3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8651 5.9796 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7655 1.6351 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6284 0.5963 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0727 1.1892 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 -0.4109 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2759 -0.9641 3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9122 -1.6889 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5183 -2.4149 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8035 -0.8213 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4556 -1.4437 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2610 -2.3449 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7221 1.1416 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2098 1.5541 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6219 -0.3256 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4280 0.3524 -3.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1893 -0.6578 -4.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9849 0.0072 -5.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5442 -2.4380 -3.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3900 -1.8076 -4.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 -2.1758 -6.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7015 -4.2881 -4.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4907 -5.4654 -7.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3567 -3.9830 -7.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3735 2.6808 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5278 2.5971 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1875 4.6248 -2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7098 6.4917 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6672 5.1381 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7585 5.6156 -3.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8655 4.9797 -5.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7798 2.7418 -4.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6715 0.6907 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0355 -0.5662 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5611 -3.1706 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1985 -1.7527 -4.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5152 -3.1308 -4.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -2.6480 -5.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1646 -0.9165 -5.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2703 0.3322 -4.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5666 -0.4409 -3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1948 1.1027 -2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1498 1.5535 -4.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1543 1.3324 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1964 1.6705 -2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7419 3.3937 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0133 3.7403 -3.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5524 4.1481 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0387 3.9984 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8915 5.2157 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8340 5.0456 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7059 -1.5378 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4976 -2.1579 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8721 -1.4546 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3456 -1.9957 2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 0.7390 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8967 1.8905 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 -3.7575 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8736 -5.8205 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7423 -6.5257 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2943 -7.4686 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5017 -5.8270 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -7.8401 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8669 -6.2174 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9671 -5.6234 3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3604 -6.6350 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 -5.6668 3.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -4.9720 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 -7.1829 4.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6976 -8.4000 3.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4118 -7.3651 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7232 -8.9589 6.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4586 -8.6224 6.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2955 -7.2926 6.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9772 -9.7636 4.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2692 -10.2143 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0530 -9.3910 2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5795 -3.6283 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2068 -4.2365 -5.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9025 -5.3527 -4.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 -5.6693 -4.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8021 -5.8687 -2.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7489 -5.1071 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1682 -3.9956 -1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9144 -3.5635 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1123 -7.2115 -2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1086 -7.2400 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 2.7052 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 2.7167 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8295 1.3526 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4420 2.8812 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 0.5114 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -1.5522 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7077 -1.6068 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 -3.0420 3.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2815 -3.5983 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -3.3677 3.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 -2.2171 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9815 -0.9677 4.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4330 -1.7372 4.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
65 66 1 0 0 0 0
53 54 2 0 0 0 0
6 7 1 0 0 0 0
66 67 1 0 0 0 0
44 42 1 0 0 0 0
80 81 2 0 0 0 0
42 41 1 0 0 0 0
67 68 1 0 0 0 0
41 33 1 0 0 0 0
90 89 1 0 0 0 0
33 34 1 0 0 0 0
63 61 1 0 0 0 0
44 45 1 0 0 0 0
80 79 1 0 0 0 0
45 47 1 0 0 0 0
61 59 1 0 0 0 0
45 46 1 0 0 0 0
99100 1 0 0 0 0
59 57 1 0 0 0 0
84 85 1 0 0 0 0
79 74 1 0 0 0 0
42 43 2 0 0 0 0
57 56 1 0 0 0 0
33 31 1 0 0 0 0
89 88 1 0 0 0 0
31 32 2 0 0 0 0
56 55 1 0 0 0 0
34 35 1 0 0 0 0
74 72 1 0 0 0 0
35 36 1 0 0 0 0
55 53 1 0 0 0 0
36 37 1 0 0 0 0
7 9 2 0 0 0 0
37 38 1 0 0 0 0
53 52 1 0 0 0 0
38 40 1 0 0 0 0
74 75 1 0 0 0 0
38 39 2 3 0 0 0
31 30 1 0 0 0 0
88 86 1 0 0 0 0
30 25 1 0 0 0 0
68 70 1 0 0 0 0
25 26 1 0 0 0 0
75 76 1 0 0 0 0
25 23 1 0 0 0 0
68 69 2 3 0 0 0
23 21 1 0 0 0 0
5 6 2 0 0 0 0
23 24 2 0 0 0 0
21 22 1 0 0 0 0
61 62 1 0 0 0 0
76 78 2 0 0 0 0
26 27 1 0 0 0 0
59 60 1 0 0 0 0
27 28 1 0 0 0 0
86 84 1 0 0 0 0
27 29 1 0 0 0 0
57 58 2 0 0 0 0
21 15 1 0 0 0 0
76 77 1 0 0 0 0
15 13 1 0 0 0 0
55 92 1 0 0 0 0
13 14 2 0 0 0 0
9 10 1 0 0 0 0
13 12 1 0 0 0 0
92 93 1 0 0 0 0
72 73 2 0 0 0 0
11110 1 0 0 0 0
92 94 1 0 0 0 0
110109 1 0 0 0 0
84 82 1 0 0 0 0
110111 2 0 0 0 0
109108 1 0 0 0 0
94 96 1 0 0 0 0
72 71 1 0 0 0 0
94 95 1 0 0 0 0
10 4 2 0 0 0 0
96 97 1 0 0 0 0
109104 1 0 0 0 0
108107 1 0 0 0 0
107106 1 0 0 0 0
106105 1 0 0 0 0
104102 1 0 0 0 0
96 98 2 0 0 0 0
102101 1 0 0 0 0
82 83 1 0 0 0 0
102103 2 0 0 0 0
86 87 1 0 0 0 0
11 3 1 0 0 0 0
3 4 1 0 0 0 0
63 64 1 0 0 0 0
3 2 1 0 0 0 0
51 49 1 0 0 0 0
2 1 1 0 0 0 0
4 5 1 0 0 0 0
7 8 1 0 0 0 0
51 99 1 0 0 0 0
15 16 1 0 0 0 0
99101 1 0 0 0 0
16 17 1 0 0 0 0
64 65 1 0 0 0 0
17 18 1 0 0 0 0
49 48 1 0 0 0 0
18 19 2 0 0 0 0
82 80 1 0 0 0 0
89 91 1 0 0 0 0
49 50 2 0 0 0 0
18 20 1 0 0 0 0
44 48 1 0 0 0 0
51 52 1 0 0 0 0
11 12 1 0 0 0 0
104105 1 0 0 0 0
63 71 1 0 0 0 0
5116 1 0 0 0 0
6117 1 0 0 0 0
9119 1 0 0 0 0
10120 1 0 0 0 0
90201 1 0 0 0 0
90202 1 0 0 0 0
90203 1 0 0 0 0
89200 1 1 0 0 0
88198 1 0 0 0 0
88199 1 0 0 0 0
86194 1 1 0 0 0
84192 1 6 0 0 0
82188 1 6 0 0 0
83189 1 0 0 0 0
83190 1 0 0 0 0
83191 1 0 0 0 0
79187 1 0 0 0 0
74182 1 6 0 0 0
75183 1 0 0 0 0
75184 1 0 0 0 0
77185 1 0 0 0 0
77186 1 0 0 0 0
71181 1 0 0 0 0
63170 1 6 0 0 0
64171 1 0 0 0 0
64172 1 0 0 0 0
65173 1 0 0 0 0
65174 1 0 0 0 0
66175 1 0 0 0 0
66176 1 0 0 0 0
67177 1 0 0 0 0
61168 1 6 0 0 0
59166 1 1 0 0 0
56165 1 0 0 0 0
55164 1 1 0 0 0
52163 1 0 0 0 0
51162 1 6 0 0 0
70179 1 0 0 0 0
70180 1 0 0 0 0
69178 1 0 0 0 0
62169 1 0 0 0 0
60167 1 0 0 0 0
92207 1 6 0 0 0
93208 1 0 0 0 0
93209 1 0 0 0 0
93210 1 0 0 0 0
94211 1 6 0 0 0
95212 1 0 0 0 0
95213 1 0 0 0 0
95214 1 0 0 0 0
97215 1 0 0 0 0
97216 1 0 0 0 0
87195 1 0 0 0 0
87196 1 0 0 0 0
87197 1 0 0 0 0
99217 1 6 0 0 0
48161 1 0 0 0 0
44155 1 1 0 0 0
41154 1 0 0 0 0
33143 1 6 0 0 0
34144 1 0 0 0 0
34145 1 0 0 0 0
45156 1 1 0 0 0
47160 1 0 0 0 0
46157 1 0 0 0 0
46158 1 0 0 0 0
46159 1 0 0 0 0
100218 1 0 0 0 0
100219 1 0 0 0 0
100220 1 0 0 0 0
85193 1 0 0 0 0
35146 1 0 0 0 0
35147 1 0 0 0 0
36148 1 0 0 0 0
36149 1 0 0 0 0
37150 1 0 0 0 0
40152 1 0 0 0 0
40153 1 0 0 0 0
39151 1 0 0 0 0
30142 1 0 0 0 0
25132 1 1 0 0 0
26133 1 0 0 0 0
26134 1 0 0 0 0
22129 1 0 0 0 0
22130 1 0 0 0 0
22131 1 0 0 0 0
27135 1 1 0 0 0
28136 1 0 0 0 0
28137 1 0 0 0 0
28138 1 0 0 0 0
29139 1 0 0 0 0
29140 1 0 0 0 0
29141 1 0 0 0 0
15123 1 1 0 0 0
12122 1 0 0 0 0
11121 1 6 0 0 0
108228 1 0 0 0 0
108229 1 0 0 0 0
107226 1 0 0 0 0
107227 1 0 0 0 0
106224 1 0 0 0 0
106225 1 0 0 0 0
105222 1 0 0 0 0
105223 1 0 0 0 0
104221 1 1 0 0 0
3115 1 6 0 0 0
1112 1 0 0 0 0
1113 1 0 0 0 0
1114 1 0 0 0 0
8118 1 0 0 0 0
16124 1 0 0 0 0
16125 1 0 0 0 0
17126 1 0 0 0 0
17127 1 0 0 0 0
91204 1 0 0 0 0
91205 1 0 0 0 0
91206 1 0 0 0 0
20128 1 0 0 0 0
M END
3D MOL for NP0037154 (neamphamide C)
RDKit 3D
229231 0 0 0 0 0 0 0 0999 V2000
1.5337 4.4910 6.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 3.2454 6.1987 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2379 3.3720 4.8014 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2342 3.6485 4.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5955 4.5437 3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9373 4.7360 3.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9247 4.0313 3.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2212 4.1991 3.4435 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 3.1656 4.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2538 2.9847 5.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7242 2.1186 4.0092 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1726 1.8712 4.1481 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 2.4306 3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3531 1.9180 3.9883 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2949 3.6898 2.7122 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1892 3.8354 1.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3056 5.0849 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0916 6.3529 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 6.3943 2.6750 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4889 7.4593 0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6593 3.9218 2.1374 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3845 5.0577 2.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2821 3.2125 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2612 3.6800 0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8029 1.7832 0.7439 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7183 0.7650 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0462 -0.5905 1.7586 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9951 -1.4651 2.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6225 -1.3400 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8856 1.5858 -0.7137 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9864 2.1388 -1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1053 2.9037 -1.2157 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1261 1.6483 -3.0639 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5023 0.2551 -3.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1101 -0.5400 -4.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4541 -1.9170 -4.5048 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0923 -2.6937 -5.5447 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9007 -4.0102 -5.7641 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1499 -4.8088 -5.0974 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5950 -4.4795 -6.8068 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7005 2.5564 -4.1407 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 3.0020 -4.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3485 3.4264 -5.6803 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2854 3.0656 -3.5527 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9211 4.5637 -3.3344 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0866 5.4898 -3.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 5.0954 -4.4966 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 2.3786 -4.1058 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 1.5381 -3.4931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8679 1.3570 -4.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5919 0.8568 -2.1540 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0203 -0.4780 -2.1084 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6882 -1.6102 -2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9173 -1.5865 -2.5456 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1539 -2.9114 -2.6621 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2814 -2.5640 -3.5255 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5276 -3.1460 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7972 -4.0120 -2.6136 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5430 -2.6685 -4.5115 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0852 -3.1657 -5.7838 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6677 -1.1340 -4.6178 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3418 -0.6193 -4.8273 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5559 -0.4428 -3.5274 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1917 1.0344 -3.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1717 1.7766 -2.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8114 3.2594 -2.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6028 3.9171 -1.2557 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1918 4.1080 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0838 3.6749 0.5017 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.0482 4.8267 0.7516 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7675 -1.1902 -2.2905 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8502 -1.3491 -1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6806 -0.9883 -1.3865 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4016 -2.1361 -0.0579 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9619 -1.4670 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5293 -0.0698 1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6055 0.9233 1.2937 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7315 0.1614 1.1798 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9419 -3.5182 -0.1611 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 -4.5304 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3880 -4.3434 1.4056 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9347 -5.9152 0.2809 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6600 -6.4672 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0858 -6.8694 1.4905 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.4774 -7.0946 1.7385 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3845 -6.4294 2.8054 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9673 -5.8984 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2773 -7.5693 3.8592 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6126 -8.0896 4.4328 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5143 -8.2528 5.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9982 -9.4387 3.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 -4.0771 -3.2551 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0240 -4.8793 -4.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2870 -5.0480 -2.1818 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3372 -4.3849 -1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 -5.6715 -1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3698 -6.8031 -1.8057 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 -5.2051 -0.2349 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3026 1.7660 -0.9437 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1441 2.1991 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9674 1.2299 0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3292 0.4166 1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8691 0.1822 1.1372 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3643 -0.1697 2.1016 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8867 -1.5227 1.5936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3181 -2.7491 2.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0567 -2.4712 2.8709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 -1.3440 3.8882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8538 -0.2069 3.4838 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0297 0.7982 4.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7415 0.5742 5.6208 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5551 4.9764 6.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7678 4.2992 7.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3044 5.1507 6.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 4.2266 4.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1623 5.1017 2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2052 5.4210 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7605 3.5432 3.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3576 2.6179 5.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0061 2.3054 6.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 2.2734 2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 1.1537 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1367 4.5010 3.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2198 3.9063 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1315 2.9436 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 5.0495 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2790 5.1257 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8713 7.2847 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4154 5.1135 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4077 4.9606 3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8651 5.9796 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7655 1.6351 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6284 0.5963 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0727 1.1892 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 -0.4109 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2759 -0.9641 3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9122 -1.6889 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5183 -2.4149 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8035 -0.8213 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4556 -1.4437 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2610 -2.3449 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7221 1.1416 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2098 1.5541 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6219 -0.3256 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4280 0.3524 -3.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1893 -0.6578 -4.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9849 0.0072 -5.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5442 -2.4380 -3.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3900 -1.8076 -4.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 -2.1758 -6.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7015 -4.2881 -4.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4907 -5.4654 -7.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3567 -3.9830 -7.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3735 2.6808 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5278 2.5971 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1875 4.6248 -2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7098 6.4917 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6672 5.1381 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7585 5.6156 -3.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8655 4.9797 -5.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7798 2.7418 -4.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6715 0.6907 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0355 -0.5662 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5611 -3.1706 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1985 -1.7527 -4.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5152 -3.1308 -4.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -2.6480 -5.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1646 -0.9165 -5.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2703 0.3322 -4.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5666 -0.4409 -3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1948 1.1027 -2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1498 1.5535 -4.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1543 1.3324 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1964 1.6705 -2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7419 3.3937 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0133 3.7403 -3.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5524 4.1481 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0387 3.9984 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8915 5.2157 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8340 5.0456 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7059 -1.5378 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4976 -2.1579 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8721 -1.4546 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3456 -1.9957 2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 0.7390 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8967 1.8905 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 -3.7575 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8736 -5.8205 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7423 -6.5257 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2943 -7.4686 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5017 -5.8270 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -7.8401 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8669 -6.2174 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9671 -5.6234 3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3604 -6.6350 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 -5.6668 3.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -4.9720 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 -7.1829 4.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6976 -8.4000 3.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4118 -7.3651 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7232 -8.9589 6.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4586 -8.6224 6.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2955 -7.2926 6.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9772 -9.7636 4.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2692 -10.2143 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0530 -9.3910 2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5795 -3.6283 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2068 -4.2365 -5.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9025 -5.3527 -4.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 -5.6693 -4.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8021 -5.8687 -2.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7489 -5.1071 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1682 -3.9956 -1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9144 -3.5635 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1123 -7.2115 -2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1086 -7.2400 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 2.7052 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 2.7167 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8295 1.3526 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4420 2.8812 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 0.5114 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -1.5522 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7077 -1.6068 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 -3.0420 3.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2815 -3.5983 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -3.3677 3.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 -2.2171 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9815 -0.9677 4.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4330 -1.7372 4.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
65 66 1 0
53 54 2 0
6 7 1 0
66 67 1 0
44 42 1 0
80 81 2 0
42 41 1 0
67 68 1 0
41 33 1 0
90 89 1 0
33 34 1 0
63 61 1 0
44 45 1 0
80 79 1 0
45 47 1 0
61 59 1 0
45 46 1 0
99100 1 0
59 57 1 0
84 85 1 0
79 74 1 0
42 43 2 0
57 56 1 0
33 31 1 0
89 88 1 0
31 32 2 0
56 55 1 0
34 35 1 0
74 72 1 0
35 36 1 0
55 53 1 0
36 37 1 0
7 9 2 0
37 38 1 0
53 52 1 0
38 40 1 0
74 75 1 0
38 39 2 3
31 30 1 0
88 86 1 0
30 25 1 0
68 70 1 0
25 26 1 0
75 76 1 0
25 23 1 0
68 69 2 3
23 21 1 0
5 6 2 0
23 24 2 0
21 22 1 0
61 62 1 0
76 78 2 0
26 27 1 0
59 60 1 0
27 28 1 0
86 84 1 0
27 29 1 0
57 58 2 0
21 15 1 0
76 77 1 0
15 13 1 0
55 92 1 0
13 14 2 0
9 10 1 0
13 12 1 0
92 93 1 0
72 73 2 0
11110 1 0
92 94 1 0
110109 1 0
84 82 1 0
110111 2 0
109108 1 0
94 96 1 0
72 71 1 0
94 95 1 0
10 4 2 0
96 97 1 0
109104 1 0
108107 1 0
107106 1 0
106105 1 0
104102 1 0
96 98 2 0
102101 1 0
82 83 1 0
102103 2 0
86 87 1 0
11 3 1 0
3 4 1 0
63 64 1 0
3 2 1 0
51 49 1 0
2 1 1 0
4 5 1 0
7 8 1 0
51 99 1 0
15 16 1 0
99101 1 0
16 17 1 0
64 65 1 0
17 18 1 0
49 48 1 0
18 19 2 0
82 80 1 0
89 91 1 0
49 50 2 0
18 20 1 0
44 48 1 0
51 52 1 0
11 12 1 0
104105 1 0
63 71 1 0
5116 1 0
6117 1 0
9119 1 0
10120 1 0
90201 1 0
90202 1 0
90203 1 0
89200 1 1
88198 1 0
88199 1 0
86194 1 1
84192 1 6
82188 1 6
83189 1 0
83190 1 0
83191 1 0
79187 1 0
74182 1 6
75183 1 0
75184 1 0
77185 1 0
77186 1 0
71181 1 0
63170 1 6
64171 1 0
64172 1 0
65173 1 0
65174 1 0
66175 1 0
66176 1 0
67177 1 0
61168 1 6
59166 1 1
56165 1 0
55164 1 1
52163 1 0
51162 1 6
70179 1 0
70180 1 0
69178 1 0
62169 1 0
60167 1 0
92207 1 6
93208 1 0
93209 1 0
93210 1 0
94211 1 6
95212 1 0
95213 1 0
95214 1 0
97215 1 0
97216 1 0
87195 1 0
87196 1 0
87197 1 0
99217 1 6
48161 1 0
44155 1 1
41154 1 0
33143 1 6
34144 1 0
34145 1 0
45156 1 1
47160 1 0
46157 1 0
46158 1 0
46159 1 0
100218 1 0
100219 1 0
100220 1 0
85193 1 0
35146 1 0
35147 1 0
36148 1 0
36149 1 0
37150 1 0
40152 1 0
40153 1 0
39151 1 0
30142 1 0
25132 1 1
26133 1 0
26134 1 0
22129 1 0
22130 1 0
22131 1 0
27135 1 1
28136 1 0
28137 1 0
28138 1 0
29139 1 0
29140 1 0
29141 1 0
15123 1 1
12122 1 0
11121 1 6
108228 1 0
108229 1 0
107226 1 0
107227 1 0
106224 1 0
106225 1 0
105222 1 0
105223 1 0
104221 1 1
3115 1 6
1112 1 0
1113 1 0
1114 1 0
8118 1 0
16124 1 0
16125 1 0
17126 1 0
17127 1 0
91204 1 0
91205 1 0
91206 1 0
20128 1 0
M END
3D SDF for NP0037154 (neamphamide C)
Mrv1652306202122083D
229231 0 0 0 0 999 V2000
1.5337 4.4910 6.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 3.2454 6.1987 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2379 3.3720 4.8014 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2342 3.6485 4.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5955 4.5437 3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9373 4.7360 3.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9247 4.0313 3.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2212 4.1991 3.4435 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 3.1656 4.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2538 2.9847 5.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7242 2.1186 4.0092 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1726 1.8712 4.1481 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 2.4306 3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3531 1.9180 3.9883 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2949 3.6898 2.7122 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1892 3.8354 1.6545 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3056 5.0849 0.7725 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0916 6.3529 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 6.3943 2.6750 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4889 7.4593 0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6593 3.9218 2.1374 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3845 5.0577 2.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2821 3.2125 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2612 3.6800 0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8029 1.7832 0.7439 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7183 0.7650 1.4570 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0462 -0.5905 1.7586 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9951 -1.4651 2.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6225 -1.3400 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8856 1.5858 -0.7137 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9864 2.1388 -1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1053 2.9037 -1.2157 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1261 1.6483 -3.0639 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5023 0.2551 -3.2293 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1101 -0.5400 -4.3897 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4541 -1.9170 -4.5048 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0923 -2.6937 -5.5447 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9007 -4.0102 -5.7641 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1499 -4.8088 -5.0974 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5950 -4.4795 -6.8068 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7005 2.5564 -4.1407 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 3.0020 -4.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3485 3.4264 -5.6803 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2854 3.0656 -3.5527 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9211 4.5637 -3.3344 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0866 5.4898 -3.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 5.0954 -4.4966 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 2.3786 -4.1058 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 1.5381 -3.4931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8679 1.3570 -4.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5919 0.8568 -2.1540 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0203 -0.4780 -2.1084 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6882 -1.6102 -2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9173 -1.5865 -2.5456 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1539 -2.9114 -2.6621 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2814 -2.5640 -3.5255 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5276 -3.1460 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7972 -4.0120 -2.6136 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5430 -2.6685 -4.5115 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0852 -3.1657 -5.7838 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6677 -1.1340 -4.6178 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3418 -0.6193 -4.8273 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5559 -0.4428 -3.5274 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1917 1.0344 -3.2808 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1717 1.7766 -2.3634 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8114 3.2594 -2.2722 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6028 3.9171 -1.2557 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1918 4.1080 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0838 3.6749 0.5017 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.0482 4.8267 0.7516 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7675 -1.1902 -2.2905 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8502 -1.3491 -1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6806 -0.9883 -1.3865 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4016 -2.1361 -0.0579 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9619 -1.4670 1.2402 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5293 -0.0698 1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6055 0.9233 1.2937 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7315 0.1614 1.1798 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9419 -3.5182 -0.1611 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 -4.5304 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3880 -4.3434 1.4056 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9347 -5.9152 0.2809 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6600 -6.4672 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0858 -6.8694 1.4905 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.4774 -7.0946 1.7385 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3845 -6.4294 2.8054 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9673 -5.8984 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2773 -7.5693 3.8592 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6126 -8.0896 4.4328 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5143 -8.2528 5.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9982 -9.4387 3.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 -4.0771 -3.2551 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0240 -4.8793 -4.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2870 -5.0480 -2.1818 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3372 -4.3849 -1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 -5.6715 -1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3698 -6.8031 -1.8057 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 -5.2051 -0.2349 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3026 1.7660 -0.9437 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1441 2.1991 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9674 1.2299 0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3292 0.4166 1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8691 0.1822 1.1372 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3643 -0.1697 2.1016 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8867 -1.5227 1.5936 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3181 -2.7491 2.3015 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0567 -2.4712 2.8709 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0236 -1.3440 3.8882 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8538 -0.2069 3.4838 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0297 0.7982 4.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7415 0.5742 5.6208 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5551 4.9764 6.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7678 4.2992 7.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3044 5.1507 6.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 4.2266 4.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1623 5.1017 2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2052 5.4210 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7605 3.5432 3.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3576 2.6179 5.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0061 2.3054 6.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 2.2734 2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 1.1537 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1367 4.5010 3.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2198 3.9063 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1315 2.9436 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 5.0495 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2790 5.1257 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8713 7.2847 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4154 5.1135 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4077 4.9606 3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8651 5.9796 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7655 1.6351 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6284 0.5963 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0727 1.1892 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 -0.4109 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2759 -0.9641 3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9122 -1.6889 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5183 -2.4149 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8035 -0.8213 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4556 -1.4437 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2610 -2.3449 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7221 1.1416 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2098 1.5541 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6219 -0.3256 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4280 0.3524 -3.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1893 -0.6578 -4.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9849 0.0072 -5.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5442 -2.4380 -3.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3900 -1.8076 -4.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 -2.1758 -6.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7015 -4.2881 -4.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4907 -5.4654 -7.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3567 -3.9830 -7.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3735 2.6808 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5278 2.5971 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1875 4.6248 -2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7098 6.4917 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6672 5.1381 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7585 5.6156 -3.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8655 4.9797 -5.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7798 2.7418 -4.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6715 0.6907 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0355 -0.5662 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5611 -3.1706 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1985 -1.7527 -4.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5152 -3.1308 -4.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -2.6480 -5.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1646 -0.9165 -5.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2703 0.3322 -4.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5666 -0.4409 -3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1948 1.1027 -2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1498 1.5535 -4.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1543 1.3324 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1964 1.6705 -2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7419 3.3937 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0133 3.7403 -3.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5524 4.1481 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0387 3.9984 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8915 5.2157 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8340 5.0456 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7059 -1.5378 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4976 -2.1579 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8721 -1.4546 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3456 -1.9957 2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 0.7390 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8967 1.8905 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 -3.7575 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8736 -5.8205 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7423 -6.5257 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2943 -7.4686 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5017 -5.8270 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -7.8401 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8669 -6.2174 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9671 -5.6234 3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3604 -6.6350 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 -5.6668 3.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -4.9720 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 -7.1829 4.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6976 -8.4000 3.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4118 -7.3651 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7232 -8.9589 6.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4586 -8.6224 6.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2955 -7.2926 6.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9772 -9.7636 4.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2692 -10.2143 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0530 -9.3910 2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5795 -3.6283 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2068 -4.2365 -5.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9025 -5.3527 -4.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 -5.6693 -4.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8021 -5.8687 -2.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7489 -5.1071 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1682 -3.9956 -1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9144 -3.5635 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1123 -7.2115 -2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1086 -7.2400 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 2.7052 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 2.7167 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8295 1.3526 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4420 2.8812 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 0.5114 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -1.5522 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7077 -1.6068 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 -3.0420 3.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2815 -3.5983 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -3.3677 3.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 -2.2171 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9815 -0.9677 4.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4330 -1.7372 4.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
65 66 1 0 0 0 0
53 54 2 0 0 0 0
6 7 1 0 0 0 0
66 67 1 0 0 0 0
44 42 1 0 0 0 0
80 81 2 0 0 0 0
42 41 1 0 0 0 0
67 68 1 0 0 0 0
41 33 1 0 0 0 0
90 89 1 0 0 0 0
33 34 1 0 0 0 0
63 61 1 0 0 0 0
44 45 1 0 0 0 0
80 79 1 0 0 0 0
45 47 1 0 0 0 0
61 59 1 0 0 0 0
45 46 1 0 0 0 0
99100 1 0 0 0 0
59 57 1 0 0 0 0
84 85 1 0 0 0 0
79 74 1 0 0 0 0
42 43 2 0 0 0 0
57 56 1 0 0 0 0
33 31 1 0 0 0 0
89 88 1 0 0 0 0
31 32 2 0 0 0 0
56 55 1 0 0 0 0
34 35 1 0 0 0 0
74 72 1 0 0 0 0
35 36 1 0 0 0 0
55 53 1 0 0 0 0
36 37 1 0 0 0 0
7 9 2 0 0 0 0
37 38 1 0 0 0 0
53 52 1 0 0 0 0
38 40 1 0 0 0 0
74 75 1 0 0 0 0
38 39 2 3 0 0 0
31 30 1 0 0 0 0
88 86 1 0 0 0 0
30 25 1 0 0 0 0
68 70 1 0 0 0 0
25 26 1 0 0 0 0
75 76 1 0 0 0 0
25 23 1 0 0 0 0
68 69 2 3 0 0 0
23 21 1 0 0 0 0
5 6 2 0 0 0 0
23 24 2 0 0 0 0
21 22 1 0 0 0 0
61 62 1 0 0 0 0
76 78 2 0 0 0 0
26 27 1 0 0 0 0
59 60 1 0 0 0 0
27 28 1 0 0 0 0
86 84 1 0 0 0 0
27 29 1 0 0 0 0
57 58 2 0 0 0 0
21 15 1 0 0 0 0
76 77 1 0 0 0 0
15 13 1 0 0 0 0
55 92 1 0 0 0 0
13 14 2 0 0 0 0
9 10 1 0 0 0 0
13 12 1 0 0 0 0
92 93 1 0 0 0 0
72 73 2 0 0 0 0
11110 1 0 0 0 0
92 94 1 0 0 0 0
110109 1 0 0 0 0
84 82 1 0 0 0 0
110111 2 0 0 0 0
109108 1 0 0 0 0
94 96 1 0 0 0 0
72 71 1 0 0 0 0
94 95 1 0 0 0 0
10 4 2 0 0 0 0
96 97 1 0 0 0 0
109104 1 0 0 0 0
108107 1 0 0 0 0
107106 1 0 0 0 0
106105 1 0 0 0 0
104102 1 0 0 0 0
96 98 2 0 0 0 0
102101 1 0 0 0 0
82 83 1 0 0 0 0
102103 2 0 0 0 0
86 87 1 0 0 0 0
11 3 1 0 0 0 0
3 4 1 0 0 0 0
63 64 1 0 0 0 0
3 2 1 0 0 0 0
51 49 1 0 0 0 0
2 1 1 0 0 0 0
4 5 1 0 0 0 0
7 8 1 0 0 0 0
51 99 1 0 0 0 0
15 16 1 0 0 0 0
99101 1 0 0 0 0
16 17 1 0 0 0 0
64 65 1 0 0 0 0
17 18 1 0 0 0 0
49 48 1 0 0 0 0
18 19 2 0 0 0 0
82 80 1 0 0 0 0
89 91 1 0 0 0 0
49 50 2 0 0 0 0
18 20 1 0 0 0 0
44 48 1 0 0 0 0
51 52 1 0 0 0 0
11 12 1 0 0 0 0
104105 1 0 0 0 0
63 71 1 0 0 0 0
5116 1 0 0 0 0
6117 1 0 0 0 0
9119 1 0 0 0 0
10120 1 0 0 0 0
90201 1 0 0 0 0
90202 1 0 0 0 0
90203 1 0 0 0 0
89200 1 1 0 0 0
88198 1 0 0 0 0
88199 1 0 0 0 0
86194 1 1 0 0 0
84192 1 6 0 0 0
82188 1 6 0 0 0
83189 1 0 0 0 0
83190 1 0 0 0 0
83191 1 0 0 0 0
79187 1 0 0 0 0
74182 1 6 0 0 0
75183 1 0 0 0 0
75184 1 0 0 0 0
77185 1 0 0 0 0
77186 1 0 0 0 0
71181 1 0 0 0 0
63170 1 6 0 0 0
64171 1 0 0 0 0
64172 1 0 0 0 0
65173 1 0 0 0 0
65174 1 0 0 0 0
66175 1 0 0 0 0
66176 1 0 0 0 0
67177 1 0 0 0 0
61168 1 6 0 0 0
59166 1 1 0 0 0
56165 1 0 0 0 0
55164 1 1 0 0 0
52163 1 0 0 0 0
51162 1 6 0 0 0
70179 1 0 0 0 0
70180 1 0 0 0 0
69178 1 0 0 0 0
62169 1 0 0 0 0
60167 1 0 0 0 0
92207 1 6 0 0 0
93208 1 0 0 0 0
93209 1 0 0 0 0
93210 1 0 0 0 0
94211 1 6 0 0 0
95212 1 0 0 0 0
95213 1 0 0 0 0
95214 1 0 0 0 0
97215 1 0 0 0 0
97216 1 0 0 0 0
87195 1 0 0 0 0
87196 1 0 0 0 0
87197 1 0 0 0 0
99217 1 6 0 0 0
48161 1 0 0 0 0
44155 1 1 0 0 0
41154 1 0 0 0 0
33143 1 6 0 0 0
34144 1 0 0 0 0
34145 1 0 0 0 0
45156 1 1 0 0 0
47160 1 0 0 0 0
46157 1 0 0 0 0
46158 1 0 0 0 0
46159 1 0 0 0 0
100218 1 0 0 0 0
100219 1 0 0 0 0
100220 1 0 0 0 0
85193 1 0 0 0 0
35146 1 0 0 0 0
35147 1 0 0 0 0
36148 1 0 0 0 0
36149 1 0 0 0 0
37150 1 0 0 0 0
40152 1 0 0 0 0
40153 1 0 0 0 0
39151 1 0 0 0 0
30142 1 0 0 0 0
25132 1 1 0 0 0
26133 1 0 0 0 0
26134 1 0 0 0 0
22129 1 0 0 0 0
22130 1 0 0 0 0
22131 1 0 0 0 0
27135 1 1 0 0 0
28136 1 0 0 0 0
28137 1 0 0 0 0
28138 1 0 0 0 0
29139 1 0 0 0 0
29140 1 0 0 0 0
29141 1 0 0 0 0
15123 1 1 0 0 0
12122 1 0 0 0 0
11121 1 6 0 0 0
108228 1 0 0 0 0
108229 1 0 0 0 0
107226 1 0 0 0 0
107227 1 0 0 0 0
106224 1 0 0 0 0
106225 1 0 0 0 0
105222 1 0 0 0 0
105223 1 0 0 0 0
104221 1 1 0 0 0
3115 1 6 0 0 0
1112 1 0 0 0 0
1113 1 0 0 0 0
1114 1 0 0 0 0
8118 1 0 0 0 0
16124 1 0 0 0 0
16125 1 0 0 0 0
17126 1 0 0 0 0
17127 1 0 0 0 0
91204 1 0 0 0 0
91205 1 0 0 0 0
91206 1 0 0 0 0
20128 1 0 0 0 0
M END
> <DATABASE_ID>
NP0037154
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])C([H])([H])[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(C(=O)N([H])[H])C([H])([H])[H])[C@]([H])(OC(=O)[C@@]2([H])N(C(=O)[C@]([H])(N([H])C1=O)[C@]([H])(OC([H])([H])[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C71H118N18O22/c1-32(2)29-34(5)54(95)37(8)59(99)82-44(31-48(72)92)61(101)80-42(17-15-26-78-70(74)75)55(96)56(97)66(106)84-50(35(6)36(7)58(73)98)63(103)86-52-39(10)111-69(109)47-19-13-14-28-89(47)68(108)53(57(110-12)40-20-22-41(91)23-21-40)87-62(102)46(24-25-49(93)94)88(11)67(107)45(30-33(3)4)83-60(100)43(18-16-27-79-71(76)77)81-64(104)51(38(9)90)85-65(52)105/h20-23,32-39,42-47,50-57,90-91,95-97H,13-19,24-31H2,1-12H3,(H2,72,92)(H2,73,98)(H,80,101)(H,81,104)(H,82,99)(H,83,100)(H,84,106)(H,85,105)(H,86,103)(H,87,102)(H,93,94)(H4,74,75,78)(H4,76,77,79)/t34-,35-,36-,37-,38-,39-,42+,43-,44+,45+,46+,47+,50+,51-,52-,53-,54-,55-,56-,57-/m1/s1
> <INCHI_KEY>
BAYIUKNWFJLOEO-QLKUOVTNSA-N
> <FORMULA>
C71H118N18O22
> <MOLECULAR_WEIGHT>
1575.829
> <EXACT_MASS>
1574.866807512
> <JCHEM_ACCEPTOR_COUNT>
27
> <JCHEM_ATOM_COUNT>
229
> <JCHEM_AVERAGE_POLARIZABILITY>
161.11742686436438
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
22
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
3-[(3R,4R,7R,10R,13S,16S,19R,25aS)-4-[(2S,3R,4R)-2-[(2R,3R,4S)-7-carbamimidamido-4-[(2S)-3-carbamoyl-2-[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanamido]propanamido]-2,3-dihydroxyheptanamido]-4-carbamoyl-3,4-dimethylbutanamido]-10-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-19-[(R)-(4-hydroxyphenyl)(methoxy)methyl]-3,15-dimethyl-13-(2-methylpropyl)-1,5,8,11,14,17,20-heptaoxo-tetracosahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-16-yl]propanoic acid
> <JCHEM_LOGP>
-9.444106469826796
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
9.463118426651084
> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.1828426896590898
> <JCHEM_PKA_STRONGEST_BASIC>
12.586229538922371
> <JCHEM_POLAR_SURFACE_AREA>
657.3800000000001
> <JCHEM_REFRACTIVITY>
414.6939
> <JCHEM_ROTATABLE_BOND_COUNT>
36
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
3-[(3R,4R,7R,10R,13S,16S,19R,25aS)-4-[(2S,3R,4R)-2-[(2R,3R,4S)-7-carbamimidamido-4-[(2S)-3-carbamoyl-2-[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanamido]propanamido]-2,3-dihydroxyheptanamido]-4-carbamoyl-3,4-dimethylbutanamido]-10-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-19-[(R)-(4-hydroxyphenyl)(methoxy)methyl]-3,15-dimethyl-13-(2-methylpropyl)-1,5,8,11,14,17,20-heptaoxo-hexadecahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-16-yl]propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0037154 (neamphamide C)
RDKit 3D
229231 0 0 0 0 0 0 0 0999 V2000
1.5337 4.4910 6.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 3.2454 6.1987 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2379 3.3720 4.8014 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2342 3.6485 4.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5955 4.5437 3.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9373 4.7360 3.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9247 4.0313 3.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2212 4.1991 3.4435 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 3.1656 4.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2538 2.9847 5.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7242 2.1186 4.0092 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1726 1.8712 4.1481 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 2.4306 3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3531 1.9180 3.9883 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2949 3.6898 2.7122 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1892 3.8354 1.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3056 5.0849 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0916 6.3529 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 6.3943 2.6750 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4889 7.4593 0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6593 3.9218 2.1374 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3845 5.0577 2.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2821 3.2125 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2612 3.6800 0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8029 1.7832 0.7439 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7183 0.7650 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0462 -0.5905 1.7586 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9951 -1.4651 2.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6225 -1.3400 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8856 1.5858 -0.7137 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9864 2.1388 -1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1053 2.9037 -1.2157 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1261 1.6483 -3.0639 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5023 0.2551 -3.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1101 -0.5400 -4.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4541 -1.9170 -4.5048 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0923 -2.6937 -5.5447 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9007 -4.0102 -5.7641 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1499 -4.8088 -5.0974 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5950 -4.4795 -6.8068 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7005 2.5564 -4.1407 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 3.0020 -4.5253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3485 3.4264 -5.6803 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2854 3.0656 -3.5527 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9211 4.5637 -3.3344 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0866 5.4898 -3.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 5.0954 -4.4966 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 2.3786 -4.1058 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 1.5381 -3.4931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8679 1.3570 -4.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5919 0.8568 -2.1540 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0203 -0.4780 -2.1084 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6882 -1.6102 -2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9173 -1.5865 -2.5456 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1539 -2.9114 -2.6621 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2814 -2.5640 -3.5255 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5276 -3.1460 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7972 -4.0120 -2.6136 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5430 -2.6685 -4.5115 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0852 -3.1657 -5.7838 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6677 -1.1340 -4.6178 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3418 -0.6193 -4.8273 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5559 -0.4428 -3.5274 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1917 1.0344 -3.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1717 1.7766 -2.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8114 3.2594 -2.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6028 3.9171 -1.2557 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1918 4.1080 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0838 3.6749 0.5017 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.0482 4.8267 0.7516 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7675 -1.1902 -2.2905 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8502 -1.3491 -1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6806 -0.9883 -1.3865 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4016 -2.1361 -0.0579 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9619 -1.4670 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5293 -0.0698 1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6055 0.9233 1.2937 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7315 0.1614 1.1798 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9419 -3.5182 -0.1611 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 -4.5304 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3880 -4.3434 1.4056 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9347 -5.9152 0.2809 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6600 -6.4672 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0858 -6.8694 1.4905 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.4774 -7.0946 1.7385 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3845 -6.4294 2.8054 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9673 -5.8984 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2773 -7.5693 3.8592 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6126 -8.0896 4.4328 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.5143 -8.2528 5.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9982 -9.4387 3.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 -4.0771 -3.2551 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0240 -4.8793 -4.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2870 -5.0480 -2.1818 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3372 -4.3849 -1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 -5.6715 -1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3698 -6.8031 -1.8057 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 -5.2051 -0.2349 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3026 1.7660 -0.9437 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1441 2.1991 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9674 1.2299 0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3292 0.4166 1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8691 0.1822 1.1372 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3643 -0.1697 2.1016 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8867 -1.5227 1.5936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3181 -2.7491 2.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0567 -2.4712 2.8709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 -1.3440 3.8882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8538 -0.2069 3.4838 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0297 0.7982 4.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7415 0.5742 5.6208 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5551 4.9764 6.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7678 4.2992 7.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3044 5.1507 6.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 4.2266 4.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1623 5.1017 2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2052 5.4210 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7605 3.5432 3.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3576 2.6179 5.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0061 2.3054 6.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 2.2734 2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 1.1537 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1367 4.5010 3.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2198 3.9063 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1315 2.9436 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 5.0495 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2790 5.1257 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8713 7.2847 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4154 5.1135 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4077 4.9606 3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8651 5.9796 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7655 1.6351 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6284 0.5963 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0727 1.1892 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1505 -0.4109 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2759 -0.9641 3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9122 -1.6889 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5183 -2.4149 2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8035 -0.8213 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4556 -1.4437 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2610 -2.3449 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7221 1.1416 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2098 1.5541 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6219 -0.3256 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4280 0.3524 -3.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1893 -0.6578 -4.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9849 0.0072 -5.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5442 -2.4380 -3.5447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3900 -1.8076 -4.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 -2.1758 -6.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7015 -4.2881 -4.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4907 -5.4654 -7.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3567 -3.9830 -7.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3735 2.6808 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5278 2.5971 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1875 4.6248 -2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7098 6.4917 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6672 5.1381 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7585 5.6156 -3.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8655 4.9797 -5.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7798 2.7418 -4.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6715 0.6907 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0355 -0.5662 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5611 -3.1706 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1985 -1.7527 -4.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5152 -3.1308 -4.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -2.6480 -5.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1646 -0.9165 -5.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2703 0.3322 -4.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5666 -0.4409 -3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1948 1.1027 -2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1498 1.5535 -4.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1543 1.3324 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1964 1.6705 -2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7419 3.3937 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0133 3.7403 -3.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5524 4.1481 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0387 3.9984 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8915 5.2157 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8340 5.0456 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7059 -1.5378 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4976 -2.1579 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8721 -1.4546 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3456 -1.9957 2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 0.7390 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8967 1.8905 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 -3.7575 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8736 -5.8205 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7423 -6.5257 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2943 -7.4686 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5017 -5.8270 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -7.8401 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8669 -6.2174 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9671 -5.6234 3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3604 -6.6350 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4585 -5.6668 3.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -4.9720 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 -7.1829 4.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6976 -8.4000 3.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4118 -7.3651 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7232 -8.9589 6.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4586 -8.6224 6.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2955 -7.2926 6.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9772 -9.7636 4.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2692 -10.2143 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0530 -9.3910 2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5795 -3.6283 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2068 -4.2365 -5.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9025 -5.3527 -4.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 -5.6693 -4.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8021 -5.8687 -2.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7489 -5.1071 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1682 -3.9956 -1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9144 -3.5635 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1123 -7.2115 -2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1086 -7.2400 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 2.7052 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 2.7167 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8295 1.3526 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4420 2.8812 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 0.5114 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -1.5522 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7077 -1.6068 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 -3.0420 3.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2815 -3.5983 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -3.3677 3.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7469 -2.2171 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9815 -0.9677 4.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4330 -1.7372 4.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
65 66 1 0
53 54 2 0
6 7 1 0
66 67 1 0
44 42 1 0
80 81 2 0
42 41 1 0
67 68 1 0
41 33 1 0
90 89 1 0
33 34 1 0
63 61 1 0
44 45 1 0
80 79 1 0
45 47 1 0
61 59 1 0
45 46 1 0
99100 1 0
59 57 1 0
84 85 1 0
79 74 1 0
42 43 2 0
57 56 1 0
33 31 1 0
89 88 1 0
31 32 2 0
56 55 1 0
34 35 1 0
74 72 1 0
35 36 1 0
55 53 1 0
36 37 1 0
7 9 2 0
37 38 1 0
53 52 1 0
38 40 1 0
74 75 1 0
38 39 2 3
31 30 1 0
88 86 1 0
30 25 1 0
68 70 1 0
25 26 1 0
75 76 1 0
25 23 1 0
68 69 2 3
23 21 1 0
5 6 2 0
23 24 2 0
21 22 1 0
61 62 1 0
76 78 2 0
26 27 1 0
59 60 1 0
27 28 1 0
86 84 1 0
27 29 1 0
57 58 2 0
21 15 1 0
76 77 1 0
15 13 1 0
55 92 1 0
13 14 2 0
9 10 1 0
13 12 1 0
92 93 1 0
72 73 2 0
11110 1 0
92 94 1 0
110109 1 0
84 82 1 0
110111 2 0
109108 1 0
94 96 1 0
72 71 1 0
94 95 1 0
10 4 2 0
96 97 1 0
109104 1 0
108107 1 0
107106 1 0
106105 1 0
104102 1 0
96 98 2 0
102101 1 0
82 83 1 0
102103 2 0
86 87 1 0
11 3 1 0
3 4 1 0
63 64 1 0
3 2 1 0
51 49 1 0
2 1 1 0
4 5 1 0
7 8 1 0
51 99 1 0
15 16 1 0
99101 1 0
16 17 1 0
64 65 1 0
17 18 1 0
49 48 1 0
18 19 2 0
82 80 1 0
89 91 1 0
49 50 2 0
18 20 1 0
44 48 1 0
51 52 1 0
11 12 1 0
104105 1 0
63 71 1 0
5116 1 0
6117 1 0
9119 1 0
10120 1 0
90201 1 0
90202 1 0
90203 1 0
89200 1 1
88198 1 0
88199 1 0
86194 1 1
84192 1 6
82188 1 6
83189 1 0
83190 1 0
83191 1 0
79187 1 0
74182 1 6
75183 1 0
75184 1 0
77185 1 0
77186 1 0
71181 1 0
63170 1 6
64171 1 0
64172 1 0
65173 1 0
65174 1 0
66175 1 0
66176 1 0
67177 1 0
61168 1 6
59166 1 1
56165 1 0
55164 1 1
52163 1 0
51162 1 6
70179 1 0
70180 1 0
69178 1 0
62169 1 0
60167 1 0
92207 1 6
93208 1 0
93209 1 0
93210 1 0
94211 1 6
95212 1 0
95213 1 0
95214 1 0
97215 1 0
97216 1 0
87195 1 0
87196 1 0
87197 1 0
99217 1 6
48161 1 0
44155 1 1
41154 1 0
33143 1 6
34144 1 0
34145 1 0
45156 1 1
47160 1 0
46157 1 0
46158 1 0
46159 1 0
100218 1 0
100219 1 0
100220 1 0
85193 1 0
35146 1 0
35147 1 0
36148 1 0
36149 1 0
37150 1 0
40152 1 0
40153 1 0
39151 1 0
30142 1 0
25132 1 1
26133 1 0
26134 1 0
22129 1 0
22130 1 0
22131 1 0
27135 1 1
28136 1 0
28137 1 0
28138 1 0
29139 1 0
29140 1 0
29141 1 0
15123 1 1
12122 1 0
11121 1 6
108228 1 0
108229 1 0
107226 1 0
107227 1 0
106224 1 0
106225 1 0
105222 1 0
105223 1 0
104221 1 1
3115 1 6
1112 1 0
1113 1 0
1114 1 0
8118 1 0
16124 1 0
16125 1 0
17126 1 0
17127 1 0
91204 1 0
91205 1 0
91206 1 0
20128 1 0
M END
PDB for NP0037154 (neamphamide C)HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 1.534 4.491 6.885 0.00 0.00 C+0 HETATM 2 O UNK 0 1.528 3.245 6.199 0.00 0.00 O+0 HETATM 3 C UNK 0 1.238 3.372 4.801 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.234 3.648 4.518 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.596 4.544 3.499 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.937 4.736 3.164 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.925 4.031 3.842 0.00 0.00 C+0 HETATM 8 O UNK 0 -4.221 4.199 3.443 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.595 3.166 4.877 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.254 2.985 5.220 0.00 0.00 C+0 HETATM 11 C UNK 0 1.724 2.119 4.009 0.00 0.00 C+0 HETATM 12 N UNK 0 3.173 1.871 4.148 0.00 0.00 N+0 HETATM 13 C UNK 0 4.288 2.431 3.625 0.00 0.00 C+0 HETATM 14 O UNK 0 5.353 1.918 3.988 0.00 0.00 O+0 HETATM 15 C UNK 0 4.295 3.690 2.712 0.00 0.00 C+0 HETATM 16 C UNK 0 3.189 3.835 1.655 0.00 0.00 C+0 HETATM 17 C UNK 0 3.306 5.085 0.773 0.00 0.00 C+0 HETATM 18 C UNK 0 3.092 6.353 1.561 0.00 0.00 C+0 HETATM 19 O UNK 0 2.592 6.394 2.675 0.00 0.00 O+0 HETATM 20 O UNK 0 3.489 7.459 0.899 0.00 0.00 O+0 HETATM 21 N UNK 0 5.659 3.922 2.137 0.00 0.00 N+0 HETATM 22 C UNK 0 6.385 5.058 2.696 0.00 0.00 C+0 HETATM 23 C UNK 0 6.282 3.212 1.108 0.00 0.00 C+0 HETATM 24 O UNK 0 7.261 3.680 0.510 0.00 0.00 O+0 HETATM 25 C UNK 0 5.803 1.783 0.744 0.00 0.00 C+0 HETATM 26 C UNK 0 6.718 0.765 1.457 0.00 0.00 C+0 HETATM 27 C UNK 0 6.046 -0.591 1.759 0.00 0.00 C+0 HETATM 28 C UNK 0 6.995 -1.465 2.582 0.00 0.00 C+0 HETATM 29 C UNK 0 5.622 -1.340 0.496 0.00 0.00 C+0 HETATM 30 N UNK 0 5.886 1.586 -0.714 0.00 0.00 N+0 HETATM 31 C UNK 0 4.986 2.139 -1.594 0.00 0.00 C+0 HETATM 32 O UNK 0 4.105 2.904 -1.216 0.00 0.00 O+0 HETATM 33 C UNK 0 5.126 1.648 -3.064 0.00 0.00 C+0 HETATM 34 C UNK 0 4.502 0.255 -3.229 0.00 0.00 C+0 HETATM 35 C UNK 0 5.110 -0.540 -4.390 0.00 0.00 C+0 HETATM 36 C UNK 0 4.454 -1.917 -4.505 0.00 0.00 C+0 HETATM 37 N UNK 0 5.092 -2.694 -5.545 0.00 0.00 N+0 HETATM 38 C UNK 0 4.901 -4.010 -5.764 0.00 0.00 C+0 HETATM 39 N UNK 0 4.150 -4.809 -5.097 0.00 0.00 N+0 HETATM 40 N UNK 0 5.595 -4.479 -6.807 0.00 0.00 N+0 HETATM 41 N UNK 0 4.700 2.556 -4.141 0.00 0.00 N+0 HETATM 42 C UNK 0 3.470 3.002 -4.525 0.00 0.00 C+0 HETATM 43 O UNK 0 3.349 3.426 -5.680 0.00 0.00 O+0 HETATM 44 C UNK 0 2.285 3.066 -3.553 0.00 0.00 C+0 HETATM 45 C UNK 0 1.921 4.564 -3.334 0.00 0.00 C+0 HETATM 46 C UNK 0 3.087 5.490 -3.007 0.00 0.00 C+0 HETATM 47 O UNK 0 1.260 5.095 -4.497 0.00 0.00 O+0 HETATM 48 N UNK 0 1.109 2.379 -4.106 0.00 0.00 N+0 HETATM 49 C UNK 0 0.225 1.538 -3.493 0.00 0.00 C+0 HETATM 50 O UNK 0 -0.868 1.357 -4.039 0.00 0.00 O+0 HETATM 51 C UNK 0 0.592 0.857 -2.154 0.00 0.00 C+0 HETATM 52 N UNK 0 -0.020 -0.478 -2.108 0.00 0.00 N+0 HETATM 53 C UNK 0 0.688 -1.610 -2.468 0.00 0.00 C+0 HETATM 54 O UNK 0 1.917 -1.587 -2.546 0.00 0.00 O+0 HETATM 55 C UNK 0 -0.154 -2.911 -2.662 0.00 0.00 C+0 HETATM 56 N UNK 0 -1.281 -2.564 -3.526 0.00 0.00 N+0 HETATM 57 C UNK 0 -2.528 -3.146 -3.445 0.00 0.00 C+0 HETATM 58 O UNK 0 -2.797 -4.012 -2.614 0.00 0.00 O+0 HETATM 59 C UNK 0 -3.543 -2.668 -4.511 0.00 0.00 C+0 HETATM 60 O UNK 0 -3.085 -3.166 -5.784 0.00 0.00 O+0 HETATM 61 C UNK 0 -3.668 -1.134 -4.618 0.00 0.00 C+0 HETATM 62 O UNK 0 -2.342 -0.619 -4.827 0.00 0.00 O+0 HETATM 63 C UNK 0 -4.556 -0.443 -3.527 0.00 0.00 C+0 HETATM 64 C UNK 0 -4.192 1.034 -3.281 0.00 0.00 C+0 HETATM 65 C UNK 0 -5.172 1.777 -2.363 0.00 0.00 C+0 HETATM 66 C UNK 0 -4.811 3.259 -2.272 0.00 0.00 C+0 HETATM 67 N UNK 0 -5.603 3.917 -1.256 0.00 0.00 N+0 HETATM 68 C UNK 0 -5.192 4.108 0.014 0.00 0.00 C+0 HETATM 69 N UNK 0 -4.084 3.675 0.502 0.00 0.00 N+0 HETATM 70 N UNK 0 -6.048 4.827 0.752 0.00 0.00 N+0 HETATM 71 N UNK 0 -4.768 -1.190 -2.291 0.00 0.00 N+0 HETATM 72 C UNK 0 -3.850 -1.349 -1.274 0.00 0.00 C+0 HETATM 73 O UNK 0 -2.681 -0.988 -1.387 0.00 0.00 O+0 HETATM 74 C UNK 0 -4.402 -2.136 -0.058 0.00 0.00 C+0 HETATM 75 C UNK 0 -3.962 -1.467 1.240 0.00 0.00 C+0 HETATM 76 C UNK 0 -4.529 -0.070 1.254 0.00 0.00 C+0 HETATM 77 N UNK 0 -3.606 0.923 1.294 0.00 0.00 N+0 HETATM 78 O UNK 0 -5.731 0.161 1.180 0.00 0.00 O+0 HETATM 79 N UNK 0 -3.942 -3.518 -0.161 0.00 0.00 N+0 HETATM 80 C UNK 0 -4.492 -4.530 0.586 0.00 0.00 C+0 HETATM 81 O UNK 0 -5.388 -4.343 1.406 0.00 0.00 O+0 HETATM 82 C UNK 0 -3.935 -5.915 0.281 0.00 0.00 C+0 HETATM 83 C UNK 0 -4.660 -6.467 -0.951 0.00 0.00 C+0 HETATM 84 C UNK 0 -4.086 -6.869 1.490 0.00 0.00 C+0 HETATM 85 O UNK 0 -5.477 -7.095 1.738 0.00 0.00 O+0 HETATM 86 C UNK 0 -3.385 -6.429 2.805 0.00 0.00 C+0 HETATM 87 C UNK 0 -1.967 -5.898 2.550 0.00 0.00 C+0 HETATM 88 C UNK 0 -3.277 -7.569 3.859 0.00 0.00 C+0 HETATM 89 C UNK 0 -4.613 -8.090 4.433 0.00 0.00 C+0 HETATM 90 C UNK 0 -4.514 -8.253 5.954 0.00 0.00 C+0 HETATM 91 C UNK 0 -4.998 -9.439 3.819 0.00 0.00 C+0 HETATM 92 C UNK 0 0.712 -4.077 -3.255 0.00 0.00 C+0 HETATM 93 C UNK 0 0.024 -4.879 -4.375 0.00 0.00 C+0 HETATM 94 C UNK 0 1.287 -5.048 -2.182 0.00 0.00 C+0 HETATM 95 C UNK 0 2.337 -4.385 -1.291 0.00 0.00 C+0 HETATM 96 C UNK 0 0.202 -5.672 -1.310 0.00 0.00 C+0 HETATM 97 N UNK 0 -0.370 -6.803 -1.806 0.00 0.00 N+0 HETATM 98 O UNK 0 -0.161 -5.205 -0.235 0.00 0.00 O+0 HETATM 99 C UNK 0 0.303 1.766 -0.944 0.00 0.00 C+0 HETATM 100 C UNK 0 -1.144 2.199 -0.765 0.00 0.00 C+0 HETATM 101 O UNK 0 0.967 1.230 0.234 0.00 0.00 O+0 HETATM 102 C UNK 0 0.329 0.417 1.120 0.00 0.00 C+0 HETATM 103 O UNK 0 -0.869 0.182 1.137 0.00 0.00 O+0 HETATM 104 C UNK 0 1.364 -0.170 2.102 0.00 0.00 C+0 HETATM 105 C UNK 0 1.887 -1.523 1.594 0.00 0.00 C+0 HETATM 106 C UNK 0 1.318 -2.749 2.301 0.00 0.00 C+0 HETATM 107 C UNK 0 -0.057 -2.471 2.871 0.00 0.00 C+0 HETATM 108 C UNK 0 0.024 -1.344 3.888 0.00 0.00 C+0 HETATM 109 N UNK 0 0.854 -0.207 3.484 0.00 0.00 N+0 HETATM 110 C UNK 0 1.030 0.798 4.443 0.00 0.00 C+0 HETATM 111 O UNK 0 0.742 0.574 5.621 0.00 0.00 O+0 HETATM 112 H UNK 0 0.555 4.976 6.833 0.00 0.00 H+0 HETATM 113 H UNK 0 1.768 4.299 7.936 0.00 0.00 H+0 HETATM 114 H UNK 0 2.304 5.151 6.475 0.00 0.00 H+0 HETATM 115 H UNK 0 1.822 4.227 4.437 0.00 0.00 H+0 HETATM 116 H UNK 0 0.162 5.102 2.953 0.00 0.00 H+0 HETATM 117 H UNK 0 -2.205 5.421 2.364 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.761 3.543 3.923 0.00 0.00 H+0 HETATM 119 H UNK 0 -3.358 2.618 5.423 0.00 0.00 H+0 HETATM 120 H UNK 0 -1.006 2.305 6.035 0.00 0.00 H+0 HETATM 121 H UNK 0 1.495 2.273 2.957 0.00 0.00 H+0 HETATM 122 H UNK 0 3.407 1.154 4.831 0.00 0.00 H+0 HETATM 123 H UNK 0 4.137 4.501 3.436 0.00 0.00 H+0 HETATM 124 H UNK 0 2.220 3.906 2.146 0.00 0.00 H+0 HETATM 125 H UNK 0 3.131 2.944 1.029 0.00 0.00 H+0 HETATM 126 H UNK 0 2.524 5.050 0.005 0.00 0.00 H+0 HETATM 127 H UNK 0 4.279 5.126 0.277 0.00 0.00 H+0 HETATM 128 H UNK 0 3.871 7.285 0.017 0.00 0.00 H+0 HETATM 129 H UNK 0 7.415 5.114 2.337 0.00 0.00 H+0 HETATM 130 H UNK 0 6.408 4.961 3.786 0.00 0.00 H+0 HETATM 131 H UNK 0 5.865 5.980 2.422 0.00 0.00 H+0 HETATM 132 H UNK 0 4.766 1.635 1.041 0.00 0.00 H+0 HETATM 133 H UNK 0 7.628 0.596 0.865 0.00 0.00 H+0 HETATM 134 H UNK 0 7.073 1.189 2.404 0.00 0.00 H+0 HETATM 135 H UNK 0 5.151 -0.411 2.366 0.00 0.00 H+0 HETATM 136 H UNK 0 7.276 -0.964 3.515 0.00 0.00 H+0 HETATM 137 H UNK 0 7.912 -1.689 2.027 0.00 0.00 H+0 HETATM 138 H UNK 0 6.518 -2.415 2.847 0.00 0.00 H+0 HETATM 139 H UNK 0 4.803 -0.821 -0.010 0.00 0.00 H+0 HETATM 140 H UNK 0 6.456 -1.444 -0.207 0.00 0.00 H+0 HETATM 141 H UNK 0 5.261 -2.345 0.741 0.00 0.00 H+0 HETATM 142 H UNK 0 6.722 1.142 -1.072 0.00 0.00 H+0 HETATM 143 H UNK 0 6.210 1.554 -3.222 0.00 0.00 H+0 HETATM 144 H UNK 0 4.622 -0.326 -2.308 0.00 0.00 H+0 HETATM 145 H UNK 0 3.428 0.352 -3.403 0.00 0.00 H+0 HETATM 146 H UNK 0 6.189 -0.658 -4.231 0.00 0.00 H+0 HETATM 147 H UNK 0 4.985 0.007 -5.332 0.00 0.00 H+0 HETATM 148 H UNK 0 4.544 -2.438 -3.545 0.00 0.00 H+0 HETATM 149 H UNK 0 3.390 -1.808 -4.739 0.00 0.00 H+0 HETATM 150 H UNK 0 5.561 -2.176 -6.274 0.00 0.00 H+0 HETATM 151 H UNK 0 3.701 -4.288 -4.345 0.00 0.00 H+0 HETATM 152 H UNK 0 5.491 -5.465 -7.007 0.00 0.00 H+0 HETATM 153 H UNK 0 6.357 -3.983 -7.235 0.00 0.00 H+0 HETATM 154 H UNK 0 5.373 2.681 -4.890 0.00 0.00 H+0 HETATM 155 H UNK 0 2.528 2.597 -2.614 0.00 0.00 H+0 HETATM 156 H UNK 0 1.188 4.625 -2.523 0.00 0.00 H+0 HETATM 157 H UNK 0 2.710 6.492 -2.772 0.00 0.00 H+0 HETATM 158 H UNK 0 3.667 5.138 -2.155 0.00 0.00 H+0 HETATM 159 H UNK 0 3.759 5.616 -3.862 0.00 0.00 H+0 HETATM 160 H UNK 0 1.865 4.980 -5.258 0.00 0.00 H+0 HETATM 161 H UNK 0 0.780 2.742 -4.996 0.00 0.00 H+0 HETATM 162 H UNK 0 1.672 0.691 -2.160 0.00 0.00 H+0 HETATM 163 H UNK 0 -1.036 -0.566 -1.977 0.00 0.00 H+0 HETATM 164 H UNK 0 -0.561 -3.171 -1.681 0.00 0.00 H+0 HETATM 165 H UNK 0 -1.198 -1.753 -4.141 0.00 0.00 H+0 HETATM 166 H UNK 0 -4.515 -3.131 -4.314 0.00 0.00 H+0 HETATM 167 H UNK 0 -2.284 -2.648 -5.992 0.00 0.00 H+0 HETATM 168 H UNK 0 -4.165 -0.917 -5.573 0.00 0.00 H+0 HETATM 169 H UNK 0 -2.270 0.332 -4.600 0.00 0.00 H+0 HETATM 170 H UNK 0 -5.567 -0.441 -3.962 0.00 0.00 H+0 HETATM 171 H UNK 0 -3.195 1.103 -2.835 0.00 0.00 H+0 HETATM 172 H UNK 0 -4.150 1.554 -4.247 0.00 0.00 H+0 HETATM 173 H UNK 0 -5.154 1.332 -1.363 0.00 0.00 H+0 HETATM 174 H UNK 0 -6.196 1.671 -2.740 0.00 0.00 H+0 HETATM 175 H UNK 0 -3.742 3.394 -2.079 0.00 0.00 H+0 HETATM 176 H UNK 0 -5.013 3.740 -3.236 0.00 0.00 H+0 HETATM 177 H UNK 0 -6.552 4.148 -1.502 0.00 0.00 H+0 HETATM 178 H UNK 0 -4.039 3.998 1.478 0.00 0.00 H+0 HETATM 179 H UNK 0 -6.891 5.216 0.363 0.00 0.00 H+0 HETATM 180 H UNK 0 -5.834 5.046 1.716 0.00 0.00 H+0 HETATM 181 H UNK 0 -5.706 -1.538 -2.116 0.00 0.00 H+0 HETATM 182 H UNK 0 -5.498 -2.158 -0.106 0.00 0.00 H+0 HETATM 183 H UNK 0 -2.872 -1.455 1.325 0.00 0.00 H+0 HETATM 184 H UNK 0 -4.346 -1.996 2.119 0.00 0.00 H+0 HETATM 185 H UNK 0 -2.604 0.739 1.294 0.00 0.00 H+0 HETATM 186 H UNK 0 -3.897 1.891 1.139 0.00 0.00 H+0 HETATM 187 H UNK 0 -3.263 -3.757 -0.890 0.00 0.00 H+0 HETATM 188 H UNK 0 -2.874 -5.821 0.027 0.00 0.00 H+0 HETATM 189 H UNK 0 -5.742 -6.526 -0.792 0.00 0.00 H+0 HETATM 190 H UNK 0 -4.294 -7.469 -1.201 0.00 0.00 H+0 HETATM 191 H UNK 0 -4.502 -5.827 -1.824 0.00 0.00 H+0 HETATM 192 H UNK 0 -3.668 -7.840 1.195 0.00 0.00 H+0 HETATM 193 H UNK 0 -5.867 -6.217 1.942 0.00 0.00 H+0 HETATM 194 H UNK 0 -3.967 -5.623 3.270 0.00 0.00 H+0 HETATM 195 H UNK 0 -1.360 -6.635 2.013 0.00 0.00 H+0 HETATM 196 H UNK 0 -1.458 -5.667 3.492 0.00 0.00 H+0 HETATM 197 H UNK 0 -1.986 -4.972 1.969 0.00 0.00 H+0 HETATM 198 H UNK 0 -2.672 -7.183 4.691 0.00 0.00 H+0 HETATM 199 H UNK 0 -2.698 -8.400 3.435 0.00 0.00 H+0 HETATM 200 H UNK 0 -5.412 -7.365 4.241 0.00 0.00 H+0 HETATM 201 H UNK 0 -3.723 -8.959 6.229 0.00 0.00 H+0 HETATM 202 H UNK 0 -5.459 -8.622 6.368 0.00 0.00 H+0 HETATM 203 H UNK 0 -4.295 -7.293 6.434 0.00 0.00 H+0 HETATM 204 H UNK 0 -5.977 -9.764 4.187 0.00 0.00 H+0 HETATM 205 H UNK 0 -4.269 -10.214 4.079 0.00 0.00 H+0 HETATM 206 H UNK 0 -5.053 -9.391 2.728 0.00 0.00 H+0 HETATM 207 H UNK 0 1.579 -3.628 -3.756 0.00 0.00 H+0 HETATM 208 H UNK 0 -0.207 -4.237 -5.232 0.00 0.00 H+0 HETATM 209 H UNK 0 -0.903 -5.353 -4.042 0.00 0.00 H+0 HETATM 210 H UNK 0 0.686 -5.669 -4.747 0.00 0.00 H+0 HETATM 211 H UNK 0 1.802 -5.869 -2.700 0.00 0.00 H+0 HETATM 212 H UNK 0 2.749 -5.107 -0.577 0.00 0.00 H+0 HETATM 213 H UNK 0 3.168 -3.996 -1.888 0.00 0.00 H+0 HETATM 214 H UNK 0 1.914 -3.563 -0.710 0.00 0.00 H+0 HETATM 215 H UNK 0 -0.112 -7.212 -2.694 0.00 0.00 H+0 HETATM 216 H UNK 0 -1.109 -7.240 -1.272 0.00 0.00 H+0 HETATM 217 H UNK 0 0.842 2.705 -1.107 0.00 0.00 H+0 HETATM 218 H UNK 0 -1.280 2.717 0.190 0.00 0.00 H+0 HETATM 219 H UNK 0 -1.829 1.353 -0.794 0.00 0.00 H+0 HETATM 220 H UNK 0 -1.442 2.881 -1.567 0.00 0.00 H+0 HETATM 221 H UNK 0 2.220 0.511 2.080 0.00 0.00 H+0 HETATM 222 H UNK 0 2.975 -1.552 1.715 0.00 0.00 H+0 HETATM 223 H UNK 0 1.708 -1.607 0.516 0.00 0.00 H+0 HETATM 224 H UNK 0 1.994 -3.042 3.115 0.00 0.00 H+0 HETATM 225 H UNK 0 1.282 -3.598 1.612 0.00 0.00 H+0 HETATM 226 H UNK 0 -0.457 -3.368 3.354 0.00 0.00 H+0 HETATM 227 H UNK 0 -0.747 -2.217 2.061 0.00 0.00 H+0 HETATM 228 H UNK 0 -0.982 -0.968 4.114 0.00 0.00 H+0 HETATM 229 H UNK 0 0.433 -1.737 4.827 0.00 0.00 H+0 CONECT 1 2 112 113 114 CONECT 2 3 1 CONECT 3 11 4 2 115 CONECT 4 10 3 5 CONECT 5 6 4 116 CONECT 6 7 5 117 CONECT 7 6 9 8 CONECT 8 7 118 CONECT 9 7 10 119 CONECT 10 9 4 120 CONECT 11 110 3 12 121 CONECT 12 13 11 122 CONECT 13 15 14 12 CONECT 14 13 CONECT 15 21 13 16 123 CONECT 16 15 17 124 125 CONECT 17 16 18 126 127 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 128 CONECT 21 23 22 15 CONECT 22 21 129 130 131 CONECT 23 25 21 24 CONECT 24 23 CONECT 25 30 26 23 132 CONECT 26 25 27 133 134 CONECT 27 26 28 29 135 CONECT 28 27 136 137 138 CONECT 29 27 139 140 141 CONECT 30 31 25 142 CONECT 31 33 32 30 CONECT 32 31 CONECT 33 41 34 31 143 CONECT 34 33 35 144 145 CONECT 35 34 36 146 147 CONECT 36 35 37 148 149 CONECT 37 36 38 150 CONECT 38 37 40 39 CONECT 39 38 151 CONECT 40 38 152 153 CONECT 41 42 33 154 CONECT 42 44 41 43 CONECT 43 42 CONECT 44 42 45 48 155 CONECT 45 44 47 46 156 CONECT 46 45 157 158 159 CONECT 47 45 160 CONECT 48 49 44 161 CONECT 49 51 48 50 CONECT 50 49 CONECT 51 49 99 52 162 CONECT 52 53 51 163 CONECT 53 54 55 52 CONECT 54 53 CONECT 55 56 53 92 164 CONECT 56 57 55 165 CONECT 57 59 56 58 CONECT 58 57 CONECT 59 61 57 60 166 CONECT 60 59 167 CONECT 61 63 59 62 168 CONECT 62 61 169 CONECT 63 61 64 71 170 CONECT 64 63 65 171 172 CONECT 65 66 64 173 174 CONECT 66 65 67 175 176 CONECT 67 66 68 177 CONECT 68 67 70 69 CONECT 69 68 178 CONECT 70 68 179 180 CONECT 71 72 63 181 CONECT 72 74 73 71 CONECT 73 72 CONECT 74 79 72 75 182 CONECT 75 74 76 183 184 CONECT 76 75 78 77 CONECT 77 76 185 186 CONECT 78 76 CONECT 79 80 74 187 CONECT 80 81 79 82 CONECT 81 80 CONECT 82 84 83 80 188 CONECT 83 82 189 190 191 CONECT 84 85 86 82 192 CONECT 85 84 193 CONECT 86 88 84 87 194 CONECT 87 86 195 196 197 CONECT 88 89 86 198 199 CONECT 89 90 88 91 200 CONECT 90 89 201 202 203 CONECT 91 89 204 205 206 CONECT 92 55 93 94 207 CONECT 93 92 208 209 210 CONECT 94 92 96 95 211 CONECT 95 94 212 213 214 CONECT 96 94 97 98 CONECT 97 96 215 216 CONECT 98 96 CONECT 99 100 51 101 217 CONECT 100 99 218 219 220 CONECT 101 102 99 CONECT 102 104 101 103 CONECT 103 102 CONECT 104 109 102 105 221 CONECT 105 106 104 222 223 CONECT 106 107 105 224 225 CONECT 107 108 106 226 227 CONECT 108 109 107 228 229 CONECT 109 110 108 104 CONECT 110 11 109 111 CONECT 111 110 CONECT 112 1 CONECT 113 1 CONECT 114 1 CONECT 115 3 CONECT 116 5 CONECT 117 6 CONECT 118 8 CONECT 119 9 CONECT 120 10 CONECT 121 11 CONECT 122 12 CONECT 123 15 CONECT 124 16 CONECT 125 16 CONECT 126 17 CONECT 127 17 CONECT 128 20 CONECT 129 22 CONECT 130 22 CONECT 131 22 CONECT 132 25 CONECT 133 26 CONECT 134 26 CONECT 135 27 CONECT 136 28 CONECT 137 28 CONECT 138 28 CONECT 139 29 CONECT 140 29 CONECT 141 29 CONECT 142 30 CONECT 143 33 CONECT 144 34 CONECT 145 34 CONECT 146 35 CONECT 147 35 CONECT 148 36 CONECT 149 36 CONECT 150 37 CONECT 151 39 CONECT 152 40 CONECT 153 40 CONECT 154 41 CONECT 155 44 CONECT 156 45 CONECT 157 46 CONECT 158 46 CONECT 159 46 CONECT 160 47 CONECT 161 48 CONECT 162 51 CONECT 163 52 CONECT 164 55 CONECT 165 56 CONECT 166 59 CONECT 167 60 CONECT 168 61 CONECT 169 62 CONECT 170 63 CONECT 171 64 CONECT 172 64 CONECT 173 65 CONECT 174 65 CONECT 175 66 CONECT 176 66 CONECT 177 67 CONECT 178 69 CONECT 179 70 CONECT 180 70 CONECT 181 71 CONECT 182 74 CONECT 183 75 CONECT 184 75 CONECT 185 77 CONECT 186 77 CONECT 187 79 CONECT 188 82 CONECT 189 83 CONECT 190 83 CONECT 191 83 CONECT 192 84 CONECT 193 85 CONECT 194 86 CONECT 195 87 CONECT 196 87 CONECT 197 87 CONECT 198 88 CONECT 199 88 CONECT 200 89 CONECT 201 90 CONECT 202 90 CONECT 203 90 CONECT 204 91 CONECT 205 91 CONECT 206 91 CONECT 207 92 CONECT 208 93 CONECT 209 93 CONECT 210 93 CONECT 211 94 CONECT 212 95 CONECT 213 95 CONECT 214 95 CONECT 215 97 CONECT 216 97 CONECT 217 99 CONECT 218 100 CONECT 219 100 CONECT 220 100 CONECT 221 104 CONECT 222 105 CONECT 223 105 CONECT 224 106 CONECT 225 106 CONECT 226 107 CONECT 227 107 CONECT 228 108 CONECT 229 108 MASTER 0 0 0 0 0 0 0 0 229 0 462 0 END SMILES for NP0037154 (neamphamide C)[H]OC(=O)C([H])([H])C([H])([H])[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(C(=O)N([H])[H])C([H])([H])[H])[C@]([H])(OC(=O)[C@@]2([H])N(C(=O)[C@]([H])(N([H])C1=O)[C@]([H])(OC([H])([H])[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0037154 (neamphamide C)InChI=1S/C71H118N18O22/c1-32(2)29-34(5)54(95)37(8)59(99)82-44(31-48(72)92)61(101)80-42(17-15-26-78-70(74)75)55(96)56(97)66(106)84-50(35(6)36(7)58(73)98)63(103)86-52-39(10)111-69(109)47-19-13-14-28-89(47)68(108)53(57(110-12)40-20-22-41(91)23-21-40)87-62(102)46(24-25-49(93)94)88(11)67(107)45(30-33(3)4)83-60(100)43(18-16-27-79-71(76)77)81-64(104)51(38(9)90)85-65(52)105/h20-23,32-39,42-47,50-57,90-91,95-97H,13-19,24-31H2,1-12H3,(H2,72,92)(H2,73,98)(H,80,101)(H,81,104)(H,82,99)(H,83,100)(H,84,106)(H,85,105)(H,86,103)(H,87,102)(H,93,94)(H4,74,75,78)(H4,76,77,79)/t34-,35-,36-,37-,38-,39-,42+,43-,44+,45+,46+,47+,50+,51-,52-,53-,54-,55-,56-,57-/m1/s1 3D Structure for NP0037154 (neamphamide C) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C71H118N18O22 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1575.8290 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1574.86681 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 3-[(3R,4R,7R,10R,13S,16S,19R,25aS)-4-[(2S,3R,4R)-2-[(2R,3R,4S)-7-carbamimidamido-4-[(2S)-3-carbamoyl-2-[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanamido]propanamido]-2,3-dihydroxyheptanamido]-4-carbamoyl-3,4-dimethylbutanamido]-10-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-19-[(R)-(4-hydroxyphenyl)(methoxy)methyl]-3,15-dimethyl-13-(2-methylpropyl)-1,5,8,11,14,17,20-heptaoxo-tetracosahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-16-yl]propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 3-[(3R,4R,7R,10R,13S,16S,19R,25aS)-4-[(2S,3R,4R)-2-[(2R,3R,4S)-7-carbamimidamido-4-[(2S)-3-carbamoyl-2-[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanamido]propanamido]-2,3-dihydroxyheptanamido]-4-carbamoyl-3,4-dimethylbutanamido]-10-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-19-[(R)-(4-hydroxyphenyl)(methoxy)methyl]-3,15-dimethyl-13-(2-methylpropyl)-1,5,8,11,14,17,20-heptaoxo-hexadecahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-16-yl]propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H]OC(=O)C([H])([H])C([H])([H])[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(C(=O)N([H])[H])C([H])([H])[H])[C@]([H])(OC(=O)[C@@]2([H])N(C(=O)[C@]([H])(N([H])C1=O)[C@]([H])(OC([H])([H])[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C71H118N18O22/c1-32(2)29-34(5)54(95)37(8)59(99)82-44(31-48(72)92)61(101)80-42(17-15-26-78-70(74)75)55(96)56(97)66(106)84-50(35(6)36(7)58(73)98)63(103)86-52-39(10)111-69(109)47-19-13-14-28-89(47)68(108)53(57(110-12)40-20-22-41(91)23-21-40)87-62(102)46(24-25-49(93)94)88(11)67(107)45(30-33(3)4)83-60(100)43(18-16-27-79-71(76)77)81-64(104)51(38(9)90)85-65(52)105/h20-23,32-39,42-47,50-57,90-91,95-97H,13-19,24-31H2,1-12H3,(H2,72,92)(H2,73,98)(H,80,101)(H,81,104)(H,82,99)(H,83,100)(H,84,106)(H,85,105)(H,86,103)(H,87,102)(H,93,94)(H4,74,75,78)(H4,76,77,79)/t34-,35-,36-,37-,38-,39-,42+,43-,44+,45+,46+,47+,50+,51-,52-,53-,54-,55-,56-,57-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | BAYIUKNWFJLOEO-QLKUOVTNSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
