Showing NP-Card for Moenomycin (NP0021765)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 07:02:08 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:37:13 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0021765 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Moenomycin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Moenomycin is found in Streptomyces. Based on a literature review very few articles have been published on (2R)-3-{[hydroxy({[(2R,3R,4R,5S,6S)-5-hydroxy-3-{[(2S,3R,4R,5S,6R)-4-hydroxy-5-{[(2S,3R,4R,5S,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-methyl-5-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-3-[(1-hydroxyethylidene)amino]-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-6-(C-hydroxycarbonimidoyl)-4-(C-hydroxycarbonimidoyloxy)-5-methyloxan-2-yl]oxy})phosphoryl]oxy}-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0021765 (Moenomycin)
Mrv1652307042108013D
217222 0 0 0 0 999 V2000
7.1937 1.0897 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4869 1.7348 -4.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9278 1.0409 -5.6772 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3178 -0.4055 -5.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0729 -0.9144 -6.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5250 -0.0343 -7.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4800 -2.3345 -6.5922 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9378 -3.1327 -5.4393 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4830 -4.5334 -5.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7267 -5.5771 -5.7759 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3343 -6.9260 -5.8994 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2598 -5.4372 -5.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2567 3.2030 -4.3462 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8037 3.5220 -4.1936 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6323 5.0381 -4.0680 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4404 5.4599 -2.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1375 5.7740 -5.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1812 5.3199 -3.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7544 5.2599 -2.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 5.5163 -2.1460 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2730 6.6732 -1.1656 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1423 6.8284 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 7.1677 -1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5712 6.6909 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 6.3728 1.6008 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0256 5.1722 2.2572 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 4.9241 3.3073 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6738 3.6838 3.1524 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9181 2.5539 3.0332 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8679 1.1667 2.8716 P 0 0 1 0 0 5 0 0 0 0 0 0
1.1080 0.2364 1.9572 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3553 1.6052 2.2306 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0844 0.5065 4.4037 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6894 -0.8326 4.4831 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6711 -1.5715 4.9906 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 -1.6361 6.3376 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7788 -2.7805 6.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3387 -3.6504 5.7636 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0232 -2.9384 7.9221 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5991 -1.6843 7.1648 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9469 -2.9912 6.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9866 -1.6396 8.4936 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7932 -0.4834 6.7145 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2132 -0.0918 7.5743 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2791 1.1050 8.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2956 1.5239 9.1230 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7254 1.8438 7.9677 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3756 -0.7861 5.3032 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4821 0.0999 4.7335 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6942 -0.5133 4.3140 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5635 -0.8807 2.9744 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8027 -1.1353 2.3320 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3219 -1.8166 1.0562 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6544 -3.0064 1.2856 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4373 -3.9565 1.8733 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8722 -4.4579 3.0175 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6515 -5.3874 3.6782 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9410 -6.6887 3.9227 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8449 -7.5244 4.6115 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9576 -5.6994 2.9979 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9675 -4.7839 3.3474 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8499 -5.8879 1.5070 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9225 -7.2088 1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6232 -5.1786 0.9382 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8592 -4.7808 -0.3556 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4262 0.1815 2.1240 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6108 0.3763 1.5282 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6475 0.6835 0.2205 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0506 2.0318 0.0772 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1108 2.3905 -1.2630 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4288 3.0301 -1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7712 1.3333 -2.2482 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5136 0.8886 -2.3109 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 0.6982 -3.4403 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4121 -0.6353 -3.5625 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9156 -1.0170 -4.7542 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6233 -1.7619 -4.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1048 -2.2924 -5.4736 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 -1.8064 -3.1788 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -2.4720 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5759 -2.4956 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 -1.8724 -0.4483 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 -3.2518 -1.4445 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7815 -4.1497 -2.6752 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0109 -3.2529 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1776 -3.2387 -4.8370 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5858 0.1867 -5.6058 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7243 -0.2653 -6.6117 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 1.2334 -4.8143 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4533 0.8064 -4.5308 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 1.6107 -3.5581 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9599 2.9391 -3.6757 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6323 0.0647 -1.9793 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.8760 0.1461 -2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 -0.0849 -0.4743 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9034 -1.4502 -0.0772 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0690 -1.8974 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2556 -3.3179 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9653 -1.0737 0.8713 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3377 1.0019 3.3369 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5484 2.1346 3.0827 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 0.3054 4.5971 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9462 -0.3468 5.3205 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3219 0.0898 6.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4099 -0.5493 7.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6779 1.0543 7.1142 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0858 4.9093 4.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 4.6909 5.6265 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 5.1210 4.6923 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3833 0.0205 -3.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5887 1.6205 -2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8330 1.1140 -5.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3509 1.4959 -6.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9807 -1.0435 -4.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1179 -0.6036 -8.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7813 -7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6600 0.3988 -8.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0883 -2.8284 -7.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5924 -2.4364 -6.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8499 -3.1064 -5.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3338 -2.7580 -4.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5699 -4.6701 -5.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4324 -6.8670 -6.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8048 -7.4736 -6.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2156 -7.4882 -4.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8665 -6.3128 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7469 -5.3967 -4.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9742 -4.5423 -6.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8078 3.5920 -3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6678 3.6997 -5.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2032 3.1787 -5.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4310 3.0572 -3.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4665 4.6432 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4877 5.7053 -3.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9255 6.3196 -2.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 5.2826 -6.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2460 5.8706 -5.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7120 6.8096 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 5.5666 -4.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4899 5.0043 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9581 4.5978 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 5.7453 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5427 7.5928 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 6.6326 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0565 7.6167 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 6.2648 -2.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 7.8654 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6308 6.8240 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1179 7.1915 2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 6.3370 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5471 5.7873 3.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3364 3.8374 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2766 3.6055 4.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7142 2.3943 2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 -1.1692 3.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4893 -0.7249 6.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1909 -3.3028 5.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9849 -4.6157 5.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3940 -3.7936 7.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1744 -3.3043 5.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 -3.0265 6.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -2.4815 8.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 0.3584 6.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 0.8433 9.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6331 2.4980 9.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0956 -1.7895 5.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 -1.4939 4.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -1.8374 2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4713 -1.1803 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0300 -1.8233 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4614 -3.5506 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8912 -4.9734 4.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6738 -7.2289 2.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0619 -6.5714 4.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0427 -7.1345 5.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3144 -6.6755 3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8305 -5.2082 3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7248 -5.3657 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5086 -7.6669 1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7654 -5.8688 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0618 -4.9079 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7042 0.6109 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6612 0.5636 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3308 3.2014 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7514 3.7241 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2390 2.2942 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4193 3.6745 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2016 1.6527 -3.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4379 0.9350 -4.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6424 -1.6904 -5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 -1.2891 -2.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7338 -0.8718 -0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6749 -2.5332 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8792 -3.8447 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8034 -4.3271 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1861 -5.0327 -2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 0.5971 -6.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1546 0.1712 -6.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7674 2.1263 -5.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0909 1.4925 -4.7659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9090 1.5361 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 3.1750 -4.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1204 -0.8331 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9464 -0.1988 -3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7008 0.4206 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1965 -2.1821 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5614 -3.9816 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2773 -3.6930 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0727 -3.5110 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3838 1.3738 3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 2.1008 3.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 1.1538 5.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4829 -1.1457 4.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7482 -1.4728 6.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2713 0.1727 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1464 -0.7724 8.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7292 5.4605 5.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 3 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
2 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 1 0 0 0
18 19 2 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 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
30 29 1 1 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 2 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 1 0 0 0
40 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
45 47 2 0 0 0 0
43 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
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
57 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
52 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 2 0 0 0 0
76 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
89 91 1 0 0 0 0
91 92 1 0 0 0 0
72 93 1 0 0 0 0
93 94 1 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
97 99 2 0 0 0 0
66100 1 0 0 0 0
100101 1 0 0 0 0
100102 1 0 0 0 0
102103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
104106 2 0 0 0 0
27107 1 0 0 0 0
107108 2 0 0 0 0
107109 1 0 0 0 0
48 34 1 0 0 0 0
102 50 1 0 0 0 0
64 55 1 0 0 0 0
95 68 1 0 0 0 0
91 74 1 0 0 0 0
85 80 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
3112 1 0 0 0 0
3113 1 0 0 0 0
4114 1 0 0 0 0
6115 1 0 0 0 0
6116 1 0 0 0 0
6117 1 0 0 0 0
7118 1 0 0 0 0
7119 1 0 0 0 0
8120 1 0 0 0 0
8121 1 0 0 0 0
9122 1 0 0 0 0
11123 1 0 0 0 0
11124 1 0 0 0 0
11125 1 0 0 0 0
12126 1 0 0 0 0
12127 1 0 0 0 0
12128 1 0 0 0 0
13129 1 0 0 0 0
13130 1 0 0 0 0
14131 1 0 0 0 0
14132 1 0 0 0 0
16133 1 0 0 0 0
16134 1 0 0 0 0
16135 1 0 0 0 0
17136 1 0 0 0 0
17137 1 0 0 0 0
17138 1 0 0 0 0
18139 1 0 0 0 0
19140 1 0 0 0 0
20141 1 0 0 0 0
20142 1 0 0 0 0
21143 1 0 0 0 0
21144 1 0 0 0 0
23145 1 0 0 0 0
23146 1 0 0 0 0
23147 1 0 0 0 0
24148 1 0 0 0 0
25149 1 0 0 0 0
25150 1 0 0 0 0
27151 1 1 0 0 0
28152 1 0 0 0 0
28153 1 0 0 0 0
32154 1 0 0 0 0
34155 1 6 0 0 0
36156 1 1 0 0 0
38157 1 0 0 0 0
38158 1 0 0 0 0
41159 1 0 0 0 0
41160 1 0 0 0 0
41161 1 0 0 0 0
42162 1 0 0 0 0
43163 1 6 0 0 0
46164 1 0 0 0 0
46165 1 0 0 0 0
48166 1 1 0 0 0
50167 1 1 0 0 0
52168 1 1 0 0 0
53169 1 0 0 0 0
53170 1 0 0 0 0
55171 1 1 0 0 0
57172 1 1 0 0 0
58173 1 0 0 0 0
58174 1 0 0 0 0
59175 1 0 0 0 0
60176 1 1 0 0 0
61177 1 0 0 0 0
62178 1 6 0 0 0
63179 1 0 0 0 0
64180 1 6 0 0 0
65181 1 0 0 0 0
66182 1 6 0 0 0
68183 1 6 0 0 0
70184 1 1 0 0 0
71185 1 0 0 0 0
71186 1 0 0 0 0
71187 1 0 0 0 0
72188 1 6 0 0 0
74189 1 6 0 0 0
76190 1 6 0 0 0
79191 1 0 0 0 0
82192 1 0 0 0 0
83193 1 0 0 0 0
83194 1 0 0 0 0
84195 1 0 0 0 0
84196 1 0 0 0 0
87197 1 6 0 0 0
88198 1 0 0 0 0
89199 1 6 0 0 0
90200 1 0 0 0 0
91201 1 1 0 0 0
92202 1 0 0 0 0
93203 1 6 0 0 0
94204 1 0 0 0 0
95205 1 1 0 0 0
96206 1 0 0 0 0
98207 1 0 0 0 0
98208 1 0 0 0 0
98209 1 0 0 0 0
100210 1 1 0 0 0
101211 1 0 0 0 0
102212 1 1 0 0 0
103213 1 0 0 0 0
105214 1 0 0 0 0
105215 1 0 0 0 0
105216 1 0 0 0 0
109217 1 0 0 0 0
M END
3D MOL for NP0021765 (Moenomycin)
RDKit 3D
217222 0 0 0 0 0 0 0 0999 V2000
7.1937 1.0897 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4869 1.7348 -4.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9278 1.0409 -5.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3178 -0.4055 -5.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0729 -0.9144 -6.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5250 -0.0343 -7.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4800 -2.3345 -6.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9378 -3.1327 -5.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4830 -4.5334 -5.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7267 -5.5771 -5.7759 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3343 -6.9260 -5.8994 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2598 -5.4372 -5.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2567 3.2030 -4.3462 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8037 3.5220 -4.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6323 5.0381 -4.0680 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4404 5.4599 -2.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1375 5.7740 -5.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1812 5.3199 -3.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7544 5.2599 -2.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 5.5163 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 6.6732 -1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1423 6.8284 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 7.1677 -1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5712 6.6909 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 6.3728 1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 5.1722 2.2572 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 4.9241 3.3073 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6738 3.6838 3.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9181 2.5539 3.0332 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8679 1.1667 2.8716 P 0 0 1 0 0 5 0 0 0 0 0 0
1.1080 0.2364 1.9572 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3553 1.6052 2.2306 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0844 0.5065 4.4037 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6894 -0.8326 4.4831 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6711 -1.5715 4.9906 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 -1.6361 6.3376 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7788 -2.7805 6.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3387 -3.6504 5.7636 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0232 -2.9384 7.9221 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5991 -1.6843 7.1648 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9469 -2.9912 6.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9866 -1.6396 8.4936 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7932 -0.4834 6.7145 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2132 -0.0918 7.5743 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2791 1.1050 8.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2956 1.5239 9.1230 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7254 1.8438 7.9677 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3756 -0.7861 5.3032 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4821 0.0999 4.7335 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6942 -0.5133 4.3140 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5635 -0.8807 2.9744 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8027 -1.1353 2.3320 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3219 -1.8166 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6544 -3.0064 1.2856 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4373 -3.9565 1.8733 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8722 -4.4579 3.0175 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6515 -5.3874 3.6782 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9410 -6.6887 3.9227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8449 -7.5244 4.6115 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9576 -5.6994 2.9979 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9675 -4.7839 3.3474 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8499 -5.8879 1.5070 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9225 -7.2088 1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6232 -5.1786 0.9382 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8592 -4.7808 -0.3556 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4262 0.1815 2.1240 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6108 0.3763 1.5282 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6475 0.6835 0.2205 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0506 2.0318 0.0772 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1108 2.3905 -1.2630 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4288 3.0301 -1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7712 1.3333 -2.2482 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5136 0.8886 -2.3109 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 0.6982 -3.4403 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4121 -0.6353 -3.5625 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9156 -1.0170 -4.7542 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6233 -1.7619 -4.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1048 -2.2924 -5.4736 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 -1.8064 -3.1788 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -2.4720 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5759 -2.4956 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 -1.8724 -0.4483 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 -3.2518 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7815 -4.1497 -2.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0109 -3.2529 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1776 -3.2387 -4.8370 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5858 0.1867 -5.6058 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7243 -0.2653 -6.6117 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 1.2334 -4.8143 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4533 0.8064 -4.5308 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 1.6107 -3.5581 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9599 2.9391 -3.6757 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6323 0.0647 -1.9793 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.8760 0.1461 -2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 -0.0849 -0.4743 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9034 -1.4502 -0.0772 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0690 -1.8974 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2556 -3.3179 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9653 -1.0737 0.8713 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3377 1.0019 3.3369 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5484 2.1346 3.0827 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 0.3054 4.5971 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9462 -0.3468 5.3205 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3219 0.0898 6.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4099 -0.5493 7.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6779 1.0543 7.1142 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0858 4.9093 4.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 4.6909 5.6265 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 5.1210 4.6923 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3833 0.0205 -3.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5887 1.6205 -2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8330 1.1140 -5.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3509 1.4959 -6.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9807 -1.0435 -4.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1179 -0.6036 -8.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7813 -7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6600 0.3988 -8.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0883 -2.8284 -7.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5924 -2.4364 -6.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8499 -3.1064 -5.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3338 -2.7580 -4.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5699 -4.6701 -5.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4324 -6.8670 -6.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8048 -7.4736 -6.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2156 -7.4882 -4.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8665 -6.3128 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7469 -5.3967 -4.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9742 -4.5423 -6.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8078 3.5920 -3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6678 3.6997 -5.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2032 3.1787 -5.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4310 3.0572 -3.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4665 4.6432 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4877 5.7053 -3.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9255 6.3196 -2.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 5.2826 -6.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2460 5.8706 -5.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7120 6.8096 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 5.5666 -4.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4899 5.0043 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9581 4.5978 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 5.7453 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5427 7.5928 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 6.6326 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0565 7.6167 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 6.2648 -2.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 7.8654 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6308 6.8240 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1179 7.1915 2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 6.3370 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5471 5.7873 3.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3364 3.8374 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2766 3.6055 4.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7142 2.3943 2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 -1.1692 3.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4893 -0.7249 6.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1909 -3.3028 5.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9849 -4.6157 5.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3940 -3.7936 7.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1744 -3.3043 5.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 -3.0265 6.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -2.4815 8.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 0.3584 6.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 0.8433 9.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6331 2.4980 9.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0956 -1.7895 5.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 -1.4939 4.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -1.8374 2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4713 -1.1803 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0300 -1.8233 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4614 -3.5506 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8912 -4.9734 4.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6738 -7.2289 2.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0619 -6.5714 4.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0427 -7.1345 5.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3144 -6.6755 3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8305 -5.2082 3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7248 -5.3657 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5086 -7.6669 1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7654 -5.8688 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0618 -4.9079 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7042 0.6109 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6612 0.5636 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3308 3.2014 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7514 3.7241 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2390 2.2942 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4193 3.6745 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2016 1.6527 -3.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4379 0.9350 -4.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6424 -1.6904 -5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 -1.2891 -2.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7338 -0.8718 -0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6749 -2.5332 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8792 -3.8447 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8034 -4.3271 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1861 -5.0327 -2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 0.5971 -6.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1546 0.1712 -6.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7674 2.1263 -5.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0909 1.4925 -4.7659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9090 1.5361 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 3.1750 -4.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1204 -0.8331 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9464 -0.1988 -3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7008 0.4206 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1965 -2.1821 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5614 -3.9816 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2773 -3.6930 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0727 -3.5110 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3838 1.3738 3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 2.1008 3.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 1.1538 5.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4829 -1.1457 4.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7482 -1.4728 6.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2713 0.1727 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1464 -0.7724 8.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7292 5.4605 5.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 3
10 11 1 0
10 12 1 0
2 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
15 18 1 1
18 19 2 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 2 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
30 29 1 1
30 31 2 0
30 32 1 0
30 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 2 0
36 40 1 0
40 41 1 0
40 42 1 1
40 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
45 47 2 0
43 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
57 60 1 0
60 61 1 0
60 62 1 0
62 63 1 0
62 64 1 0
64 65 1 0
52 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 2 0
77 79 1 0
79 80 1 0
80 81 2 0
81 82 1 0
81 83 1 0
83 84 1 0
84 85 1 0
85 86 2 0
76 87 1 0
87 88 1 0
87 89 1 0
89 90 1 0
89 91 1 0
91 92 1 0
72 93 1 0
93 94 1 0
93 95 1 0
95 96 1 0
96 97 1 0
97 98 1 0
97 99 2 0
66100 1 0
100101 1 0
100102 1 0
102103 1 0
103104 1 0
104105 1 0
104106 2 0
27107 1 0
107108 2 0
107109 1 0
48 34 1 0
102 50 1 0
64 55 1 0
95 68 1 0
91 74 1 0
85 80 1 0
1110 1 0
1111 1 0
3112 1 0
3113 1 0
4114 1 0
6115 1 0
6116 1 0
6117 1 0
7118 1 0
7119 1 0
8120 1 0
8121 1 0
9122 1 0
11123 1 0
11124 1 0
11125 1 0
12126 1 0
12127 1 0
12128 1 0
13129 1 0
13130 1 0
14131 1 0
14132 1 0
16133 1 0
16134 1 0
16135 1 0
17136 1 0
17137 1 0
17138 1 0
18139 1 0
19140 1 0
20141 1 0
20142 1 0
21143 1 0
21144 1 0
23145 1 0
23146 1 0
23147 1 0
24148 1 0
25149 1 0
25150 1 0
27151 1 1
28152 1 0
28153 1 0
32154 1 0
34155 1 6
36156 1 1
38157 1 0
38158 1 0
41159 1 0
41160 1 0
41161 1 0
42162 1 0
43163 1 6
46164 1 0
46165 1 0
48166 1 1
50167 1 1
52168 1 1
53169 1 0
53170 1 0
55171 1 1
57172 1 1
58173 1 0
58174 1 0
59175 1 0
60176 1 1
61177 1 0
62178 1 6
63179 1 0
64180 1 6
65181 1 0
66182 1 6
68183 1 6
70184 1 1
71185 1 0
71186 1 0
71187 1 0
72188 1 6
74189 1 6
76190 1 6
79191 1 0
82192 1 0
83193 1 0
83194 1 0
84195 1 0
84196 1 0
87197 1 6
88198 1 0
89199 1 6
90200 1 0
91201 1 1
92202 1 0
93203 1 6
94204 1 0
95205 1 1
96206 1 0
98207 1 0
98208 1 0
98209 1 0
100210 1 1
101211 1 0
102212 1 1
103213 1 0
105214 1 0
105215 1 0
105216 1 0
109217 1 0
M END
3D SDF for NP0021765 (Moenomycin)
Mrv1652307042108013D
217222 0 0 0 0 999 V2000
7.1937 1.0897 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4869 1.7348 -4.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9278 1.0409 -5.6772 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3178 -0.4055 -5.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0729 -0.9144 -6.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5250 -0.0343 -7.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4800 -2.3345 -6.5922 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9378 -3.1327 -5.4393 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4830 -4.5334 -5.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7267 -5.5771 -5.7759 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3343 -6.9260 -5.8994 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2598 -5.4372 -5.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2567 3.2030 -4.3462 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8037 3.5220 -4.1936 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6323 5.0381 -4.0680 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4404 5.4599 -2.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1375 5.7740 -5.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1812 5.3199 -3.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7544 5.2599 -2.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 5.5163 -2.1460 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2730 6.6732 -1.1656 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1423 6.8284 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 7.1677 -1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5712 6.6909 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 6.3728 1.6008 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0256 5.1722 2.2572 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 4.9241 3.3073 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6738 3.6838 3.1524 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9181 2.5539 3.0332 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8679 1.1667 2.8716 P 0 0 1 0 0 5 0 0 0 0 0 0
1.1080 0.2364 1.9572 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3553 1.6052 2.2306 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0844 0.5065 4.4037 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6894 -0.8326 4.4831 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6711 -1.5715 4.9906 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 -1.6361 6.3376 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7788 -2.7805 6.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3387 -3.6504 5.7636 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0232 -2.9384 7.9221 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5991 -1.6843 7.1648 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9469 -2.9912 6.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9866 -1.6396 8.4936 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7932 -0.4834 6.7145 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2132 -0.0918 7.5743 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2791 1.1050 8.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2956 1.5239 9.1230 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7254 1.8438 7.9677 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3756 -0.7861 5.3032 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4821 0.0999 4.7335 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6942 -0.5133 4.3140 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5635 -0.8807 2.9744 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8027 -1.1353 2.3320 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3219 -1.8166 1.0562 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6544 -3.0064 1.2856 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4373 -3.9565 1.8733 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8722 -4.4579 3.0175 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6515 -5.3874 3.6782 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9410 -6.6887 3.9227 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8449 -7.5244 4.6115 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9576 -5.6994 2.9979 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9675 -4.7839 3.3474 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8499 -5.8879 1.5070 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9225 -7.2088 1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6232 -5.1786 0.9382 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8592 -4.7808 -0.3556 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4262 0.1815 2.1240 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6108 0.3763 1.5282 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6475 0.6835 0.2205 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0506 2.0318 0.0772 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1108 2.3905 -1.2630 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4288 3.0301 -1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7712 1.3333 -2.2482 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5136 0.8886 -2.3109 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 0.6982 -3.4403 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4121 -0.6353 -3.5625 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9156 -1.0170 -4.7542 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6233 -1.7619 -4.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1048 -2.2924 -5.4736 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 -1.8064 -3.1788 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -2.4720 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5759 -2.4956 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 -1.8724 -0.4483 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 -3.2518 -1.4445 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7815 -4.1497 -2.6752 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0109 -3.2529 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1776 -3.2387 -4.8370 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5858 0.1867 -5.6058 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7243 -0.2653 -6.6117 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 1.2334 -4.8143 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4533 0.8064 -4.5308 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 1.6107 -3.5581 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9599 2.9391 -3.6757 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6323 0.0647 -1.9793 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.8760 0.1461 -2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 -0.0849 -0.4743 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9034 -1.4502 -0.0772 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0690 -1.8974 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2556 -3.3179 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9653 -1.0737 0.8713 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3377 1.0019 3.3369 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5484 2.1346 3.0827 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 0.3054 4.5971 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9462 -0.3468 5.3205 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3219 0.0898 6.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4099 -0.5493 7.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6779 1.0543 7.1142 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0858 4.9093 4.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 4.6909 5.6265 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 5.1210 4.6923 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3833 0.0205 -3.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5887 1.6205 -2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8330 1.1140 -5.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3509 1.4959 -6.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9807 -1.0435 -4.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1179 -0.6036 -8.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7813 -7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6600 0.3988 -8.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0883 -2.8284 -7.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5924 -2.4364 -6.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8499 -3.1064 -5.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3338 -2.7580 -4.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5699 -4.6701 -5.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4324 -6.8670 -6.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8048 -7.4736 -6.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2156 -7.4882 -4.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8665 -6.3128 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7469 -5.3967 -4.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9742 -4.5423 -6.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8078 3.5920 -3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6678 3.6997 -5.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2032 3.1787 -5.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4310 3.0572 -3.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4665 4.6432 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4877 5.7053 -3.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9255 6.3196 -2.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 5.2826 -6.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2460 5.8706 -5.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7120 6.8096 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 5.5666 -4.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4899 5.0043 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9581 4.5978 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 5.7453 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5427 7.5928 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 6.6326 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0565 7.6167 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 6.2648 -2.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 7.8654 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6308 6.8240 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1179 7.1915 2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 6.3370 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5471 5.7873 3.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3364 3.8374 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2766 3.6055 4.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7142 2.3943 2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 -1.1692 3.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4893 -0.7249 6.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1909 -3.3028 5.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9849 -4.6157 5.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3940 -3.7936 7.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1744 -3.3043 5.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 -3.0265 6.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -2.4815 8.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 0.3584 6.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 0.8433 9.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6331 2.4980 9.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0956 -1.7895 5.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 -1.4939 4.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -1.8374 2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4713 -1.1803 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0300 -1.8233 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4614 -3.5506 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8912 -4.9734 4.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6738 -7.2289 2.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0619 -6.5714 4.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0427 -7.1345 5.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3144 -6.6755 3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8305 -5.2082 3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7248 -5.3657 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5086 -7.6669 1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7654 -5.8688 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0618 -4.9079 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7042 0.6109 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6612 0.5636 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3308 3.2014 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7514 3.7241 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2390 2.2942 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4193 3.6745 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2016 1.6527 -3.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4379 0.9350 -4.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6424 -1.6904 -5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 -1.2891 -2.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7338 -0.8718 -0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6749 -2.5332 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8792 -3.8447 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8034 -4.3271 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1861 -5.0327 -2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 0.5971 -6.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1546 0.1712 -6.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7674 2.1263 -5.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0909 1.4925 -4.7659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9090 1.5361 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 3.1750 -4.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1204 -0.8331 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9464 -0.1988 -3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7008 0.4206 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1965 -2.1821 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5614 -3.9816 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2773 -3.6930 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0727 -3.5110 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3838 1.3738 3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 2.1008 3.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 1.1538 5.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4829 -1.1457 4.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7482 -1.4728 6.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2713 0.1727 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1464 -0.7724 8.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7292 5.4605 5.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 3 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
2 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 1 0 0 0
18 19 2 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 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
30 29 1 1 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 2 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 1 0 0 0
40 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
45 47 2 0 0 0 0
43 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
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
57 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
52 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 2 0 0 0 0
76 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 1 0 0 0 0
89 90 1 0 0 0 0
89 91 1 0 0 0 0
91 92 1 0 0 0 0
72 93 1 0 0 0 0
93 94 1 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
97 99 2 0 0 0 0
66100 1 0 0 0 0
100101 1 0 0 0 0
100102 1 0 0 0 0
102103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
104106 2 0 0 0 0
27107 1 0 0 0 0
107108 2 0 0 0 0
107109 1 0 0 0 0
48 34 1 0 0 0 0
102 50 1 0 0 0 0
64 55 1 0 0 0 0
95 68 1 0 0 0 0
91 74 1 0 0 0 0
85 80 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
3112 1 0 0 0 0
3113 1 0 0 0 0
4114 1 0 0 0 0
6115 1 0 0 0 0
6116 1 0 0 0 0
6117 1 0 0 0 0
7118 1 0 0 0 0
7119 1 0 0 0 0
8120 1 0 0 0 0
8121 1 0 0 0 0
9122 1 0 0 0 0
11123 1 0 0 0 0
11124 1 0 0 0 0
11125 1 0 0 0 0
12126 1 0 0 0 0
12127 1 0 0 0 0
12128 1 0 0 0 0
13129 1 0 0 0 0
13130 1 0 0 0 0
14131 1 0 0 0 0
14132 1 0 0 0 0
16133 1 0 0 0 0
16134 1 0 0 0 0
16135 1 0 0 0 0
17136 1 0 0 0 0
17137 1 0 0 0 0
17138 1 0 0 0 0
18139 1 0 0 0 0
19140 1 0 0 0 0
20141 1 0 0 0 0
20142 1 0 0 0 0
21143 1 0 0 0 0
21144 1 0 0 0 0
23145 1 0 0 0 0
23146 1 0 0 0 0
23147 1 0 0 0 0
24148 1 0 0 0 0
25149 1 0 0 0 0
25150 1 0 0 0 0
27151 1 1 0 0 0
28152 1 0 0 0 0
28153 1 0 0 0 0
32154 1 0 0 0 0
34155 1 6 0 0 0
36156 1 1 0 0 0
38157 1 0 0 0 0
38158 1 0 0 0 0
41159 1 0 0 0 0
41160 1 0 0 0 0
41161 1 0 0 0 0
42162 1 0 0 0 0
43163 1 6 0 0 0
46164 1 0 0 0 0
46165 1 0 0 0 0
48166 1 1 0 0 0
50167 1 1 0 0 0
52168 1 1 0 0 0
53169 1 0 0 0 0
53170 1 0 0 0 0
55171 1 1 0 0 0
57172 1 1 0 0 0
58173 1 0 0 0 0
58174 1 0 0 0 0
59175 1 0 0 0 0
60176 1 1 0 0 0
61177 1 0 0 0 0
62178 1 6 0 0 0
63179 1 0 0 0 0
64180 1 6 0 0 0
65181 1 0 0 0 0
66182 1 6 0 0 0
68183 1 6 0 0 0
70184 1 1 0 0 0
71185 1 0 0 0 0
71186 1 0 0 0 0
71187 1 0 0 0 0
72188 1 6 0 0 0
74189 1 6 0 0 0
76190 1 6 0 0 0
79191 1 0 0 0 0
82192 1 0 0 0 0
83193 1 0 0 0 0
83194 1 0 0 0 0
84195 1 0 0 0 0
84196 1 0 0 0 0
87197 1 6 0 0 0
88198 1 0 0 0 0
89199 1 6 0 0 0
90200 1 0 0 0 0
91201 1 1 0 0 0
92202 1 0 0 0 0
93203 1 6 0 0 0
94204 1 0 0 0 0
95205 1 1 0 0 0
96206 1 0 0 0 0
98207 1 0 0 0 0
98208 1 0 0 0 0
98209 1 0 0 0 0
100210 1 1 0 0 0
101211 1 0 0 0 0
102212 1 1 0 0 0
103213 1 0 0 0 0
105214 1 0 0 0 0
105215 1 0 0 0 0
105216 1 0 0 0 0
109217 1 0 0 0 0
M END
> <DATABASE_ID>
NP0021765
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@]([H])(OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[P@@](=O)(O[H])O[C@@]1([H])O[C@]([H])(C(=O)N([H])[H])[C@](O[H])(C([H])([H])[H])[C@]([H])(OC(=O)N([H])[H])[C@@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C(=O)N([H])C4=C(O[H])C([H])([H])C([H])([H])C4=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C69H108N5O34P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(61(90)91)29-98-109(94,95)108-66-56(57(107-67(71)92)69(11,93)58(106-66)59(70)88)105-63-44(73-36(8)77)47(82)54(40(101-63)28-97-64-51(86)48(83)45(80)39(27-75)100-64)103-62-43(72-35(7)76)46(81)53(34(6)99-62)102-65-52(87)49(84)50(85)55(104-65)60(89)74-42-37(78)20-21-38(42)79/h13,15,18,23-24,34,39-41,43-58,62-66,75,78,80-87,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,88)(H2,71,92)(H,72,76)(H,73,77)(H,74,89)(H,90,91)(H,94,95)/b24-13+,31-18+,32-23-/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58-,62+,63+,64-,65-,66-,69+/m1/s1
> <INCHI_KEY>
CWWXIJNUPCBGQG-HWQYKPDZSA-N
> <FORMULA>
C69H108N5O34P
> <MOLECULAR_WEIGHT>
1582.598
> <EXACT_MASS>
1581.661332576
> <JCHEM_ACCEPTOR_COUNT>
31
> <JCHEM_ATOM_COUNT>
217
> <JCHEM_AVERAGE_POLARIZABILITY>
157.44497712625358
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
18
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-3-[({[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid
> <ALOGPS_LOGP>
1.41
> <JCHEM_LOGP>
-2.367698840000003
> <ALOGPS_LOGS>
-4.29
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
3.5668317754082888
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5819303469415926
> <JCHEM_PKA_STRONGEST_BASIC>
-3.9473494455784186
> <JCHEM_POLAR_SURFACE_AREA>
607.6700000000002
> <JCHEM_REFRACTIVITY>
373.09530000000007
> <JCHEM_ROTATABLE_BOND_COUNT>
38
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
8.05e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-({[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy(hydroxy)phosphoryl}oxy)-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0021765 (Moenomycin)
RDKit 3D
217222 0 0 0 0 0 0 0 0999 V2000
7.1937 1.0897 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4869 1.7348 -4.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9278 1.0409 -5.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3178 -0.4055 -5.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0729 -0.9144 -6.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5250 -0.0343 -7.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4800 -2.3345 -6.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9378 -3.1327 -5.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4830 -4.5334 -5.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7267 -5.5771 -5.7759 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3343 -6.9260 -5.8994 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2598 -5.4372 -5.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2567 3.2030 -4.3462 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8037 3.5220 -4.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6323 5.0381 -4.0680 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4404 5.4599 -2.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1375 5.7740 -5.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1812 5.3199 -3.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7544 5.2599 -2.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 5.5163 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 6.6732 -1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1423 6.8284 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 7.1677 -1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5712 6.6909 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 6.3728 1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 5.1722 2.2572 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 4.9241 3.3073 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6738 3.6838 3.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9181 2.5539 3.0332 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8679 1.1667 2.8716 P 0 0 1 0 0 5 0 0 0 0 0 0
1.1080 0.2364 1.9572 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3553 1.6052 2.2306 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0844 0.5065 4.4037 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6894 -0.8326 4.4831 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6711 -1.5715 4.9906 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 -1.6361 6.3376 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7788 -2.7805 6.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3387 -3.6504 5.7636 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0232 -2.9384 7.9221 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5991 -1.6843 7.1648 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9469 -2.9912 6.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9866 -1.6396 8.4936 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7932 -0.4834 6.7145 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2132 -0.0918 7.5743 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2791 1.1050 8.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2956 1.5239 9.1230 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7254 1.8438 7.9677 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3756 -0.7861 5.3032 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4821 0.0999 4.7335 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6942 -0.5133 4.3140 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5635 -0.8807 2.9744 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8027 -1.1353 2.3320 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3219 -1.8166 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6544 -3.0064 1.2856 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4373 -3.9565 1.8733 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8722 -4.4579 3.0175 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6515 -5.3874 3.6782 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9410 -6.6887 3.9227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8449 -7.5244 4.6115 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9576 -5.6994 2.9979 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9675 -4.7839 3.3474 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8499 -5.8879 1.5070 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9225 -7.2088 1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6232 -5.1786 0.9382 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8592 -4.7808 -0.3556 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4262 0.1815 2.1240 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6108 0.3763 1.5282 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6475 0.6835 0.2205 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0506 2.0318 0.0772 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1108 2.3905 -1.2630 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4288 3.0301 -1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7712 1.3333 -2.2482 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5136 0.8886 -2.3109 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 0.6982 -3.4403 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4121 -0.6353 -3.5625 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9156 -1.0170 -4.7542 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6233 -1.7619 -4.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1048 -2.2924 -5.4736 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 -1.8064 -3.1788 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -2.4720 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5759 -2.4956 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 -1.8724 -0.4483 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 -3.2518 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7815 -4.1497 -2.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0109 -3.2529 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1776 -3.2387 -4.8370 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5858 0.1867 -5.6058 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7243 -0.2653 -6.6117 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 1.2334 -4.8143 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4533 0.8064 -4.5308 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 1.6107 -3.5581 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9599 2.9391 -3.6757 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6323 0.0647 -1.9793 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.8760 0.1461 -2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 -0.0849 -0.4743 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9034 -1.4502 -0.0772 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0690 -1.8974 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2556 -3.3179 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9653 -1.0737 0.8713 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3377 1.0019 3.3369 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5484 2.1346 3.0827 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8594 0.3054 4.5971 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9462 -0.3468 5.3205 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3219 0.0898 6.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4099 -0.5493 7.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6779 1.0543 7.1142 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0858 4.9093 4.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 4.6909 5.6265 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 5.1210 4.6923 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3833 0.0205 -3.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5887 1.6205 -2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8330 1.1140 -5.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3509 1.4959 -6.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9807 -1.0435 -4.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1179 -0.6036 -8.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7813 -7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6600 0.3988 -8.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0883 -2.8284 -7.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5924 -2.4364 -6.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8499 -3.1064 -5.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3338 -2.7580 -4.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5699 -4.6701 -5.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4324 -6.8670 -6.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8048 -7.4736 -6.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2156 -7.4882 -4.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8665 -6.3128 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7469 -5.3967 -4.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9742 -4.5423 -6.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8078 3.5920 -3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6678 3.6997 -5.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2032 3.1787 -5.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4310 3.0572 -3.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4665 4.6432 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4877 5.7053 -3.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9255 6.3196 -2.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 5.2826 -6.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2460 5.8706 -5.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7120 6.8096 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 5.5666 -4.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4899 5.0043 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9581 4.5978 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 5.7453 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5427 7.5928 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 6.6326 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0565 7.6167 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 6.2648 -2.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 7.8654 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6308 6.8240 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1179 7.1915 2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 6.3370 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5471 5.7873 3.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3364 3.8374 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2766 3.6055 4.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7142 2.3943 2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 -1.1692 3.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4893 -0.7249 6.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1909 -3.3028 5.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9849 -4.6157 5.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3940 -3.7936 7.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1744 -3.3043 5.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 -3.0265 6.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -2.4815 8.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 0.3584 6.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 0.8433 9.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6331 2.4980 9.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0956 -1.7895 5.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 -1.4939 4.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -1.8374 2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4713 -1.1803 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0300 -1.8233 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4614 -3.5506 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8912 -4.9734 4.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6738 -7.2289 2.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0619 -6.5714 4.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0427 -7.1345 5.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3144 -6.6755 3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8305 -5.2082 3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7248 -5.3657 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5086 -7.6669 1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7654 -5.8688 1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0618 -4.9079 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7042 0.6109 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6612 0.5636 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3308 3.2014 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7514 3.7241 -0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2390 2.2942 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4193 3.6745 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2016 1.6527 -3.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4379 0.9350 -4.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6424 -1.6904 -5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 -1.2891 -2.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7338 -0.8718 -0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6749 -2.5332 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8792 -3.8447 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8034 -4.3271 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1861 -5.0327 -2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 0.5971 -6.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1546 0.1712 -6.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7674 2.1263 -5.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0909 1.4925 -4.7659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9090 1.5361 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 3.1750 -4.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1204 -0.8331 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9464 -0.1988 -3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7008 0.4206 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1965 -2.1821 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5614 -3.9816 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2773 -3.6930 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0727 -3.5110 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3838 1.3738 3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 2.1008 3.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 1.1538 5.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4829 -1.1457 4.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7482 -1.4728 6.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2713 0.1727 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1464 -0.7724 8.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7292 5.4605 5.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 3
10 11 1 0
10 12 1 0
2 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
15 18 1 1
18 19 2 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 2 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
30 29 1 1
30 31 2 0
30 32 1 0
30 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 2 0
36 40 1 0
40 41 1 0
40 42 1 1
40 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
45 47 2 0
43 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
57 60 1 0
60 61 1 0
60 62 1 0
62 63 1 0
62 64 1 0
64 65 1 0
52 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 2 0
77 79 1 0
79 80 1 0
80 81 2 0
81 82 1 0
81 83 1 0
83 84 1 0
84 85 1 0
85 86 2 0
76 87 1 0
87 88 1 0
87 89 1 0
89 90 1 0
89 91 1 0
91 92 1 0
72 93 1 0
93 94 1 0
93 95 1 0
95 96 1 0
96 97 1 0
97 98 1 0
97 99 2 0
66100 1 0
100101 1 0
100102 1 0
102103 1 0
103104 1 0
104105 1 0
104106 2 0
27107 1 0
107108 2 0
107109 1 0
48 34 1 0
102 50 1 0
64 55 1 0
95 68 1 0
91 74 1 0
85 80 1 0
1110 1 0
1111 1 0
3112 1 0
3113 1 0
4114 1 0
6115 1 0
6116 1 0
6117 1 0
7118 1 0
7119 1 0
8120 1 0
8121 1 0
9122 1 0
11123 1 0
11124 1 0
11125 1 0
12126 1 0
12127 1 0
12128 1 0
13129 1 0
13130 1 0
14131 1 0
14132 1 0
16133 1 0
16134 1 0
16135 1 0
17136 1 0
17137 1 0
17138 1 0
18139 1 0
19140 1 0
20141 1 0
20142 1 0
21143 1 0
21144 1 0
23145 1 0
23146 1 0
23147 1 0
24148 1 0
25149 1 0
25150 1 0
27151 1 1
28152 1 0
28153 1 0
32154 1 0
34155 1 6
36156 1 1
38157 1 0
38158 1 0
41159 1 0
41160 1 0
41161 1 0
42162 1 0
43163 1 6
46164 1 0
46165 1 0
48166 1 1
50167 1 1
52168 1 1
53169 1 0
53170 1 0
55171 1 1
57172 1 1
58173 1 0
58174 1 0
59175 1 0
60176 1 1
61177 1 0
62178 1 6
63179 1 0
64180 1 6
65181 1 0
66182 1 6
68183 1 6
70184 1 1
71185 1 0
71186 1 0
71187 1 0
72188 1 6
74189 1 6
76190 1 6
79191 1 0
82192 1 0
83193 1 0
83194 1 0
84195 1 0
84196 1 0
87197 1 6
88198 1 0
89199 1 6
90200 1 0
91201 1 1
92202 1 0
93203 1 6
94204 1 0
95205 1 1
96206 1 0
98207 1 0
98208 1 0
98209 1 0
100210 1 1
101211 1 0
102212 1 1
103213 1 0
105214 1 0
105215 1 0
105216 1 0
109217 1 0
M END
PDB for NP0021765 (Moenomycin)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 7.194 1.090 -3.557 0.00 0.00 C+0 HETATM 2 C UNK 0 6.487 1.735 -4.482 0.00 0.00 C+0 HETATM 3 C UNK 0 5.928 1.041 -5.677 0.00 0.00 C+0 HETATM 4 C UNK 0 6.318 -0.406 -5.628 0.00 0.00 C+0 HETATM 5 C UNK 0 7.073 -0.914 -6.582 0.00 0.00 C+0 HETATM 6 C UNK 0 7.525 -0.034 -7.696 0.00 0.00 C+0 HETATM 7 C UNK 0 7.480 -2.334 -6.592 0.00 0.00 C+0 HETATM 8 C UNK 0 6.938 -3.133 -5.439 0.00 0.00 C+0 HETATM 9 C UNK 0 7.483 -4.533 -5.573 0.00 0.00 C+0 HETATM 10 C UNK 0 6.727 -5.577 -5.776 0.00 0.00 C+0 HETATM 11 C UNK 0 7.334 -6.926 -5.899 0.00 0.00 C+0 HETATM 12 C UNK 0 5.260 -5.437 -5.890 0.00 0.00 C+0 HETATM 13 C UNK 0 6.257 3.203 -4.346 0.00 0.00 C+0 HETATM 14 C UNK 0 4.804 3.522 -4.194 0.00 0.00 C+0 HETATM 15 C UNK 0 4.632 5.038 -4.068 0.00 0.00 C+0 HETATM 16 C UNK 0 5.440 5.460 -2.838 0.00 0.00 C+0 HETATM 17 C UNK 0 5.138 5.774 -5.253 0.00 0.00 C+0 HETATM 18 C UNK 0 3.181 5.320 -3.793 0.00 0.00 C+0 HETATM 19 C UNK 0 2.754 5.260 -2.561 0.00 0.00 C+0 HETATM 20 C UNK 0 1.337 5.516 -2.146 0.00 0.00 C+0 HETATM 21 C UNK 0 1.273 6.673 -1.166 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.142 6.828 -0.774 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.151 7.168 -1.843 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.571 6.691 0.472 0.00 0.00 C+0 HETATM 25 C UNK 0 0.298 6.373 1.601 0.00 0.00 C+0 HETATM 26 O UNK 0 -0.026 5.172 2.257 0.00 0.00 O+0 HETATM 27 C UNK 0 0.823 4.924 3.307 0.00 0.00 C+0 HETATM 28 C UNK 0 1.674 3.684 3.152 0.00 0.00 C+0 HETATM 29 O UNK 0 0.918 2.554 3.033 0.00 0.00 O+0 HETATM 30 P UNK 0 1.868 1.167 2.872 0.00 0.00 P+0 HETATM 31 O UNK 0 1.108 0.236 1.957 0.00 0.00 O+0 HETATM 32 O UNK 0 3.355 1.605 2.231 0.00 0.00 O+0 HETATM 33 O UNK 0 2.084 0.506 4.404 0.00 0.00 O+0 HETATM 34 C UNK 0 1.689 -0.833 4.483 0.00 0.00 C+0 HETATM 35 O UNK 0 2.671 -1.571 4.991 0.00 0.00 O+0 HETATM 36 C UNK 0 2.877 -1.636 6.338 0.00 0.00 C+0 HETATM 37 C UNK 0 3.779 -2.781 6.710 0.00 0.00 C+0 HETATM 38 N UNK 0 4.339 -3.650 5.764 0.00 0.00 N+0 HETATM 39 O UNK 0 4.023 -2.938 7.922 0.00 0.00 O+0 HETATM 40 C UNK 0 1.599 -1.684 7.165 0.00 0.00 C+0 HETATM 41 C UNK 0 0.947 -2.991 6.800 0.00 0.00 C+0 HETATM 42 O UNK 0 1.987 -1.640 8.494 0.00 0.00 O+0 HETATM 43 C UNK 0 0.793 -0.483 6.715 0.00 0.00 C+0 HETATM 44 O UNK 0 -0.213 -0.092 7.574 0.00 0.00 O+0 HETATM 45 C UNK 0 -0.279 1.105 8.239 0.00 0.00 C+0 HETATM 46 N UNK 0 -1.296 1.524 9.123 0.00 0.00 N+0 HETATM 47 O UNK 0 0.725 1.844 7.968 0.00 0.00 O+0 HETATM 48 C UNK 0 0.376 -0.786 5.303 0.00 0.00 C+0 HETATM 49 O UNK 0 -0.482 0.100 4.734 0.00 0.00 O+0 HETATM 50 C UNK 0 -1.694 -0.513 4.314 0.00 0.00 C+0 HETATM 51 O UNK 0 -1.563 -0.881 2.974 0.00 0.00 O+0 HETATM 52 C UNK 0 -2.803 -1.135 2.332 0.00 0.00 C+0 HETATM 53 C UNK 0 -2.322 -1.817 1.056 0.00 0.00 C+0 HETATM 54 O UNK 0 -1.654 -3.006 1.286 0.00 0.00 O+0 HETATM 55 C UNK 0 -2.437 -3.957 1.873 0.00 0.00 C+0 HETATM 56 O UNK 0 -1.872 -4.458 3.018 0.00 0.00 O+0 HETATM 57 C UNK 0 -2.652 -5.387 3.678 0.00 0.00 C+0 HETATM 58 C UNK 0 -1.941 -6.689 3.923 0.00 0.00 C+0 HETATM 59 O UNK 0 -2.845 -7.524 4.612 0.00 0.00 O+0 HETATM 60 C UNK 0 -3.958 -5.699 2.998 0.00 0.00 C+0 HETATM 61 O UNK 0 -4.968 -4.784 3.347 0.00 0.00 O+0 HETATM 62 C UNK 0 -3.850 -5.888 1.507 0.00 0.00 C+0 HETATM 63 O UNK 0 -3.922 -7.209 1.140 0.00 0.00 O+0 HETATM 64 C UNK 0 -2.623 -5.179 0.938 0.00 0.00 C+0 HETATM 65 O UNK 0 -2.859 -4.781 -0.356 0.00 0.00 O+0 HETATM 66 C UNK 0 -3.426 0.182 2.124 0.00 0.00 C+0 HETATM 67 O UNK 0 -4.611 0.376 1.528 0.00 0.00 O+0 HETATM 68 C UNK 0 -4.648 0.684 0.221 0.00 0.00 C+0 HETATM 69 O UNK 0 -5.051 2.032 0.077 0.00 0.00 O+0 HETATM 70 C UNK 0 -5.111 2.390 -1.263 0.00 0.00 C+0 HETATM 71 C UNK 0 -6.429 3.030 -1.571 0.00 0.00 C+0 HETATM 72 C UNK 0 -4.771 1.333 -2.248 0.00 0.00 C+0 HETATM 73 O UNK 0 -3.514 0.889 -2.311 0.00 0.00 O+0 HETATM 74 C UNK 0 -2.810 0.698 -3.440 0.00 0.00 C+0 HETATM 75 O UNK 0 -2.412 -0.635 -3.563 0.00 0.00 O+0 HETATM 76 C UNK 0 -1.916 -1.017 -4.754 0.00 0.00 C+0 HETATM 77 C UNK 0 -0.623 -1.762 -4.484 0.00 0.00 C+0 HETATM 78 O UNK 0 -0.105 -2.292 -5.474 0.00 0.00 O+0 HETATM 79 N UNK 0 -0.095 -1.806 -3.179 0.00 0.00 N+0 HETATM 80 C UNK 0 1.095 -2.472 -2.811 0.00 0.00 C+0 HETATM 81 C UNK 0 1.576 -2.496 -1.562 0.00 0.00 C+0 HETATM 82 O UNK 0 0.979 -1.872 -0.448 0.00 0.00 O+0 HETATM 83 C UNK 0 2.822 -3.252 -1.444 0.00 0.00 C+0 HETATM 84 C UNK 0 2.781 -4.150 -2.675 0.00 0.00 C+0 HETATM 85 C UNK 0 2.011 -3.253 -3.618 0.00 0.00 C+0 HETATM 86 O UNK 0 2.178 -3.239 -4.837 0.00 0.00 O+0 HETATM 87 C UNK 0 -1.586 0.187 -5.606 0.00 0.00 C+0 HETATM 88 O UNK 0 -0.724 -0.265 -6.612 0.00 0.00 O+0 HETATM 89 C UNK 0 -0.825 1.233 -4.814 0.00 0.00 C+0 HETATM 90 O UNK 0 0.453 0.806 -4.531 0.00 0.00 O+0 HETATM 91 C UNK 0 -1.588 1.611 -3.558 0.00 0.00 C+0 HETATM 92 O UNK 0 -1.960 2.939 -3.676 0.00 0.00 O+0 HETATM 93 C UNK 0 -5.632 0.065 -1.979 0.00 0.00 C+0 HETATM 94 O UNK 0 -6.876 0.146 -2.536 0.00 0.00 O+0 HETATM 95 C UNK 0 -5.703 -0.085 -0.474 0.00 0.00 C+0 HETATM 96 N UNK 0 -5.903 -1.450 -0.077 0.00 0.00 N+0 HETATM 97 C UNK 0 -7.069 -1.897 0.601 0.00 0.00 C+0 HETATM 98 C UNK 0 -7.256 -3.318 0.997 0.00 0.00 C+0 HETATM 99 O UNK 0 -7.965 -1.074 0.871 0.00 0.00 O+0 HETATM 100 C UNK 0 -3.338 1.002 3.337 0.00 0.00 C+0 HETATM 101 O UNK 0 -2.548 2.135 3.083 0.00 0.00 O+0 HETATM 102 C UNK 0 -2.859 0.305 4.597 0.00 0.00 C+0 HETATM 103 N UNK 0 -3.946 -0.347 5.321 0.00 0.00 N+0 HETATM 104 C UNK 0 -4.322 0.090 6.622 0.00 0.00 C+0 HETATM 105 C UNK 0 -5.410 -0.549 7.365 0.00 0.00 C+0 HETATM 106 O UNK 0 -3.678 1.054 7.114 0.00 0.00 O+0 HETATM 107 C UNK 0 0.086 4.909 4.589 0.00 0.00 C+0 HETATM 108 O UNK 0 0.752 4.691 5.627 0.00 0.00 O+0 HETATM 109 O UNK 0 -1.271 5.121 4.692 0.00 0.00 O+0 HETATM 110 H UNK 0 7.383 0.021 -3.656 0.00 0.00 H+0 HETATM 111 H UNK 0 7.589 1.621 -2.695 0.00 0.00 H+0 HETATM 112 H UNK 0 4.833 1.114 -5.623 0.00 0.00 H+0 HETATM 113 H UNK 0 6.351 1.496 -6.586 0.00 0.00 H+0 HETATM 114 H UNK 0 5.981 -1.044 -4.816 0.00 0.00 H+0 HETATM 115 H UNK 0 8.118 -0.604 -8.455 0.00 0.00 H+0 HETATM 116 H UNK 0 8.130 0.781 -7.270 0.00 0.00 H+0 HETATM 117 H UNK 0 6.660 0.399 -8.259 0.00 0.00 H+0 HETATM 118 H UNK 0 7.088 -2.828 -7.515 0.00 0.00 H+0 HETATM 119 H UNK 0 8.592 -2.436 -6.603 0.00 0.00 H+0 HETATM 120 H UNK 0 5.850 -3.106 -5.405 0.00 0.00 H+0 HETATM 121 H UNK 0 7.334 -2.758 -4.471 0.00 0.00 H+0 HETATM 122 H UNK 0 8.570 -4.670 -5.491 0.00 0.00 H+0 HETATM 123 H UNK 0 8.432 -6.867 -6.093 0.00 0.00 H+0 HETATM 124 H UNK 0 6.805 -7.474 -6.703 0.00 0.00 H+0 HETATM 125 H UNK 0 7.216 -7.488 -4.938 0.00 0.00 H+0 HETATM 126 H UNK 0 4.867 -6.313 -6.482 0.00 0.00 H+0 HETATM 127 H UNK 0 4.747 -5.397 -4.919 0.00 0.00 H+0 HETATM 128 H UNK 0 4.974 -4.542 -6.500 0.00 0.00 H+0 HETATM 129 H UNK 0 6.808 3.592 -3.455 0.00 0.00 H+0 HETATM 130 H UNK 0 6.668 3.700 -5.259 0.00 0.00 H+0 HETATM 131 H UNK 0 4.203 3.179 -5.040 0.00 0.00 H+0 HETATM 132 H UNK 0 4.431 3.057 -3.230 0.00 0.00 H+0 HETATM 133 H UNK 0 5.466 4.643 -2.077 0.00 0.00 H+0 HETATM 134 H UNK 0 6.488 5.705 -3.127 0.00 0.00 H+0 HETATM 135 H UNK 0 4.926 6.320 -2.375 0.00 0.00 H+0 HETATM 136 H UNK 0 4.834 5.283 -6.199 0.00 0.00 H+0 HETATM 137 H UNK 0 6.246 5.871 -5.189 0.00 0.00 H+0 HETATM 138 H UNK 0 4.712 6.810 -5.230 0.00 0.00 H+0 HETATM 139 H UNK 0 2.501 5.567 -4.596 0.00 0.00 H+0 HETATM 140 H UNK 0 3.490 5.004 -1.776 0.00 0.00 H+0 HETATM 141 H UNK 0 0.958 4.598 -1.646 0.00 0.00 H+0 HETATM 142 H UNK 0 0.727 5.745 -3.034 0.00 0.00 H+0 HETATM 143 H UNK 0 1.543 7.593 -1.774 0.00 0.00 H+0 HETATM 144 H UNK 0 2.005 6.633 -0.379 0.00 0.00 H+0 HETATM 145 H UNK 0 -2.057 7.617 -1.391 0.00 0.00 H+0 HETATM 146 H UNK 0 -1.477 6.265 -2.395 0.00 0.00 H+0 HETATM 147 H UNK 0 -0.720 7.865 -2.593 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.631 6.824 0.655 0.00 0.00 H+0 HETATM 149 H UNK 0 0.118 7.191 2.367 0.00 0.00 H+0 HETATM 150 H UNK 0 1.370 6.337 1.426 0.00 0.00 H+0 HETATM 151 H UNK 0 1.547 5.787 3.357 0.00 0.00 H+0 HETATM 152 H UNK 0 2.336 3.837 2.277 0.00 0.00 H+0 HETATM 153 H UNK 0 2.277 3.606 4.090 0.00 0.00 H+0 HETATM 154 H UNK 0 3.714 2.394 2.700 0.00 0.00 H+0 HETATM 155 H UNK 0 1.423 -1.169 3.438 0.00 0.00 H+0 HETATM 156 H UNK 0 3.489 -0.725 6.605 0.00 0.00 H+0 HETATM 157 H UNK 0 5.191 -3.303 5.228 0.00 0.00 H+0 HETATM 158 H UNK 0 3.985 -4.616 5.544 0.00 0.00 H+0 HETATM 159 H UNK 0 1.394 -3.794 7.428 0.00 0.00 H+0 HETATM 160 H UNK 0 1.174 -3.304 5.734 0.00 0.00 H+0 HETATM 161 H UNK 0 -0.127 -3.026 6.894 0.00 0.00 H+0 HETATM 162 H UNK 0 1.746 -2.482 8.957 0.00 0.00 H+0 HETATM 163 H UNK 0 1.513 0.358 6.655 0.00 0.00 H+0 HETATM 164 H UNK 0 -1.703 0.843 9.784 0.00 0.00 H+0 HETATM 165 H UNK 0 -1.633 2.498 9.107 0.00 0.00 H+0 HETATM 166 H UNK 0 -0.096 -1.790 5.216 0.00 0.00 H+0 HETATM 167 H UNK 0 -1.700 -1.494 4.817 0.00 0.00 H+0 HETATM 168 H UNK 0 -3.351 -1.837 2.948 0.00 0.00 H+0 HETATM 169 H UNK 0 -1.471 -1.180 0.605 0.00 0.00 H+0 HETATM 170 H UNK 0 -3.030 -1.823 0.240 0.00 0.00 H+0 HETATM 171 H UNK 0 -3.461 -3.551 2.027 0.00 0.00 H+0 HETATM 172 H UNK 0 -2.891 -4.973 4.687 0.00 0.00 H+0 HETATM 173 H UNK 0 -1.674 -7.229 2.992 0.00 0.00 H+0 HETATM 174 H UNK 0 -1.062 -6.571 4.583 0.00 0.00 H+0 HETATM 175 H UNK 0 -3.043 -7.135 5.525 0.00 0.00 H+0 HETATM 176 H UNK 0 -4.314 -6.676 3.416 0.00 0.00 H+0 HETATM 177 H UNK 0 -5.830 -5.208 3.522 0.00 0.00 H+0 HETATM 178 H UNK 0 -4.725 -5.366 1.055 0.00 0.00 H+0 HETATM 179 H UNK 0 -4.509 -7.667 1.782 0.00 0.00 H+0 HETATM 180 H UNK 0 -1.765 -5.869 1.062 0.00 0.00 H+0 HETATM 181 H UNK 0 -2.062 -4.908 -0.954 0.00 0.00 H+0 HETATM 182 H UNK 0 -2.704 0.611 1.327 0.00 0.00 H+0 HETATM 183 H UNK 0 -3.661 0.564 -0.278 0.00 0.00 H+0 HETATM 184 H UNK 0 -4.331 3.201 -1.385 0.00 0.00 H+0 HETATM 185 H UNK 0 -6.751 3.724 -0.752 0.00 0.00 H+0 HETATM 186 H UNK 0 -7.239 2.294 -1.740 0.00 0.00 H+0 HETATM 187 H UNK 0 -6.419 3.675 -2.482 0.00 0.00 H+0 HETATM 188 H UNK 0 -5.202 1.653 -3.248 0.00 0.00 H+0 HETATM 189 H UNK 0 -3.438 0.935 -4.313 0.00 0.00 H+0 HETATM 190 H UNK 0 -2.642 -1.690 -5.245 0.00 0.00 H+0 HETATM 191 H UNK 0 -0.642 -1.289 -2.413 0.00 0.00 H+0 HETATM 192 H UNK 0 0.734 -0.872 -0.525 0.00 0.00 H+0 HETATM 193 H UNK 0 3.675 -2.533 -1.550 0.00 0.00 H+0 HETATM 194 H UNK 0 2.879 -3.845 -0.501 0.00 0.00 H+0 HETATM 195 H UNK 0 3.803 -4.327 -2.996 0.00 0.00 H+0 HETATM 196 H UNK 0 2.186 -5.033 -2.441 0.00 0.00 H+0 HETATM 197 H UNK 0 -2.495 0.597 -6.071 0.00 0.00 H+0 HETATM 198 H UNK 0 0.155 0.171 -6.594 0.00 0.00 H+0 HETATM 199 H UNK 0 -0.767 2.126 -5.462 0.00 0.00 H+0 HETATM 200 H UNK 0 1.091 1.492 -4.766 0.00 0.00 H+0 HETATM 201 H UNK 0 -0.909 1.536 -2.711 0.00 0.00 H+0 HETATM 202 H UNK 0 -2.367 3.175 -4.534 0.00 0.00 H+0 HETATM 203 H UNK 0 -5.120 -0.833 -2.375 0.00 0.00 H+0 HETATM 204 H UNK 0 -6.946 -0.199 -3.459 0.00 0.00 H+0 HETATM 205 H UNK 0 -6.701 0.421 -0.197 0.00 0.00 H+0 HETATM 206 H UNK 0 -5.197 -2.182 -0.290 0.00 0.00 H+0 HETATM 207 H UNK 0 -6.561 -3.982 0.421 0.00 0.00 H+0 HETATM 208 H UNK 0 -8.277 -3.693 0.752 0.00 0.00 H+0 HETATM 209 H UNK 0 -7.073 -3.511 2.062 0.00 0.00 H+0 HETATM 210 H UNK 0 -4.384 1.374 3.587 0.00 0.00 H+0 HETATM 211 H UNK 0 -1.786 2.101 3.705 0.00 0.00 H+0 HETATM 212 H UNK 0 -2.524 1.154 5.286 0.00 0.00 H+0 HETATM 213 H UNK 0 -4.483 -1.146 4.915 0.00 0.00 H+0 HETATM 214 H UNK 0 -5.748 -1.473 6.886 0.00 0.00 H+0 HETATM 215 H UNK 0 -6.271 0.173 7.370 0.00 0.00 H+0 HETATM 216 H UNK 0 -5.146 -0.772 8.422 0.00 0.00 H+0 HETATM 217 H UNK 0 -1.729 5.460 5.523 0.00 0.00 H+0 CONECT 1 2 110 111 CONECT 2 1 3 13 CONECT 3 2 4 112 113 CONECT 4 3 5 114 CONECT 5 4 6 7 CONECT 6 5 115 116 117 CONECT 7 5 8 118 119 CONECT 8 7 9 120 121 CONECT 9 8 10 122 CONECT 10 9 11 12 CONECT 11 10 123 124 125 CONECT 12 10 126 127 128 CONECT 13 2 14 129 130 CONECT 14 13 15 131 132 CONECT 15 14 16 17 18 CONECT 16 15 133 134 135 CONECT 17 15 136 137 138 CONECT 18 15 19 139 CONECT 19 18 20 140 CONECT 20 19 21 141 142 CONECT 21 20 22 143 144 CONECT 22 21 23 24 CONECT 23 22 145 146 147 CONECT 24 22 25 148 CONECT 25 24 26 149 150 CONECT 26 25 27 CONECT 27 26 28 107 151 CONECT 28 27 29 152 153 CONECT 29 28 30 CONECT 30 29 31 32 33 CONECT 31 30 CONECT 32 30 154 CONECT 33 30 34 CONECT 34 33 35 48 155 CONECT 35 34 36 CONECT 36 35 37 40 156 CONECT 37 36 38 39 CONECT 38 37 157 158 CONECT 39 37 CONECT 40 36 41 42 43 CONECT 41 40 159 160 161 CONECT 42 40 162 CONECT 43 40 44 48 163 CONECT 44 43 45 CONECT 45 44 46 47 CONECT 46 45 164 165 CONECT 47 45 CONECT 48 43 49 34 166 CONECT 49 48 50 CONECT 50 49 51 102 167 CONECT 51 50 52 CONECT 52 51 53 66 168 CONECT 53 52 54 169 170 CONECT 54 53 55 CONECT 55 54 56 64 171 CONECT 56 55 57 CONECT 57 56 58 60 172 CONECT 58 57 59 173 174 CONECT 59 58 175 CONECT 60 57 61 62 176 CONECT 61 60 177 CONECT 62 60 63 64 178 CONECT 63 62 179 CONECT 64 62 65 55 180 CONECT 65 64 181 CONECT 66 52 67 100 182 CONECT 67 66 68 CONECT 68 67 69 95 183 CONECT 69 68 70 CONECT 70 69 71 72 184 CONECT 71 70 185 186 187 CONECT 72 70 73 93 188 CONECT 73 72 74 CONECT 74 73 75 91 189 CONECT 75 74 76 CONECT 76 75 77 87 190 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 80 191 CONECT 80 79 81 85 CONECT 81 80 82 83 CONECT 82 81 192 CONECT 83 81 84 193 194 CONECT 84 83 85 195 196 CONECT 85 84 86 80 CONECT 86 85 CONECT 87 76 88 89 197 CONECT 88 87 198 CONECT 89 87 90 91 199 CONECT 90 89 200 CONECT 91 89 92 74 201 CONECT 92 91 202 CONECT 93 72 94 95 203 CONECT 94 93 204 CONECT 95 93 96 68 205 CONECT 96 95 97 206 CONECT 97 96 98 99 CONECT 98 97 207 208 209 CONECT 99 97 CONECT 100 66 101 102 210 CONECT 101 100 211 CONECT 102 100 103 50 212 CONECT 103 102 104 213 CONECT 104 103 105 106 CONECT 105 104 214 215 216 CONECT 106 104 CONECT 107 27 108 109 CONECT 108 107 CONECT 109 107 217 CONECT 110 1 CONECT 111 1 CONECT 112 3 CONECT 113 3 CONECT 114 4 CONECT 115 6 CONECT 116 6 CONECT 117 6 CONECT 118 7 CONECT 119 7 CONECT 120 8 CONECT 121 8 CONECT 122 9 CONECT 123 11 CONECT 124 11 CONECT 125 11 CONECT 126 12 CONECT 127 12 CONECT 128 12 CONECT 129 13 CONECT 130 13 CONECT 131 14 CONECT 132 14 CONECT 133 16 CONECT 134 16 CONECT 135 16 CONECT 136 17 CONECT 137 17 CONECT 138 17 CONECT 139 18 CONECT 140 19 CONECT 141 20 CONECT 142 20 CONECT 143 21 CONECT 144 21 CONECT 145 23 CONECT 146 23 CONECT 147 23 CONECT 148 24 CONECT 149 25 CONECT 150 25 CONECT 151 27 CONECT 152 28 CONECT 153 28 CONECT 154 32 CONECT 155 34 CONECT 156 36 CONECT 157 38 CONECT 158 38 CONECT 159 41 CONECT 160 41 CONECT 161 41 CONECT 162 42 CONECT 163 43 CONECT 164 46 CONECT 165 46 CONECT 166 48 CONECT 167 50 CONECT 168 52 CONECT 169 53 CONECT 170 53 CONECT 171 55 CONECT 172 57 CONECT 173 58 CONECT 174 58 CONECT 175 59 CONECT 176 60 CONECT 177 61 CONECT 178 62 CONECT 179 63 CONECT 180 64 CONECT 181 65 CONECT 182 66 CONECT 183 68 CONECT 184 70 CONECT 185 71 CONECT 186 71 CONECT 187 71 CONECT 188 72 CONECT 189 74 CONECT 190 76 CONECT 191 79 CONECT 192 82 CONECT 193 83 CONECT 194 83 CONECT 195 84 CONECT 196 84 CONECT 197 87 CONECT 198 88 CONECT 199 89 CONECT 200 90 CONECT 201 91 CONECT 202 92 CONECT 203 93 CONECT 204 94 CONECT 205 95 CONECT 206 96 CONECT 207 98 CONECT 208 98 CONECT 209 98 CONECT 210 100 CONECT 211 101 CONECT 212 102 CONECT 213 103 CONECT 214 105 CONECT 215 105 CONECT 216 105 CONECT 217 109 MASTER 0 0 0 0 0 0 0 0 217 0 444 0 END SMILES for NP0021765 (Moenomycin)[H]OC(=O)[C@]([H])(OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[P@@](=O)(O[H])O[C@@]1([H])O[C@]([H])(C(=O)N([H])[H])[C@](O[H])(C([H])([H])[H])[C@]([H])(OC(=O)N([H])[H])[C@@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C(=O)N([H])C4=C(O[H])C([H])([H])C([H])([H])C4=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H] INCHI for NP0021765 (Moenomycin)InChI=1S/C69H108N5O34P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(61(90)91)29-98-109(94,95)108-66-56(57(107-67(71)92)69(11,93)58(106-66)59(70)88)105-63-44(73-36(8)77)47(82)54(40(101-63)28-97-64-51(86)48(83)45(80)39(27-75)100-64)103-62-43(72-35(7)76)46(81)53(34(6)99-62)102-65-52(87)49(84)50(85)55(104-65)60(89)74-42-37(78)20-21-38(42)79/h13,15,18,23-24,34,39-41,43-58,62-66,75,78,80-87,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,88)(H2,71,92)(H,72,76)(H,73,77)(H,74,89)(H,90,91)(H,94,95)/b24-13+,31-18+,32-23-/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58-,62+,63+,64-,65-,66-,69+/m1/s1 3D Structure for NP0021765 (Moenomycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C69H108N5O34P | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1582.5980 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1581.66133 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-3-[({[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R)-3-({[(2R,3R,4R,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy(hydroxy)phosphoryl}oxy)-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](OP(O)(=O)OC[C@@H](OC\C=C(\C)CC\C=C\C(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)C(O)=O)O[C@H](C(N)=O)[C@@](C)(O)[C@@H]3OC(N)=O)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(=O)NC1=C(O)CCC1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C69H108N5O34P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(61(90)91)29-98-109(94,95)108-66-56(57(107-67(71)92)69(11,93)58(106-66)59(70)88)105-63-44(73-36(8)77)47(82)54(40(101-63)28-97-64-51(86)48(83)45(80)39(27-75)100-64)103-62-43(72-35(7)76)46(81)53(34(6)99-62)102-65-52(87)49(84)50(85)55(104-65)60(89)74-42-37(78)20-21-38(42)79/h13,15,18,23-24,34,39-41,43-58,62-66,75,78,80-87,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,88)(H2,71,92)(H,72,76)(H,73,77)(H,74,89)(H,90,91)(H,94,95)/b24-13+,31-18+,32-23-/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58-,62+,63+,64-,65-,66-,69+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | CWWXIJNUPCBGQG-HWQYKPDZSA-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 | NPA007626 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 8009563 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 9833841 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
