Showing NP-Card for Orfamide H (NP0020759)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 06:07:49 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:34:31 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0020759 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Orfamide H | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Orfamide H is found in Pseudomonas protegens and Pseudomonas protegens CHA0. It was first documented in 2020 (PMID: 31666660). Based on a literature review very few articles have been published on 4-{[21-(butan-2-yl)-5,8,11,14,17,20,23-heptahydroxy-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2-oxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-24-yl]-C-hydroxycarbonimidoyl}-4-({2-[(1,3-dihydroxypentadecylidene)amino]-1-hydroxy-4-methylpentylidene}amino)butanoic acid. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0020759 (Orfamide H)
Mrv1652307042107533D
208208 0 0 0 0 999 V2000
20.7864 0.1951 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4406 0.7277 -1.6651 C 0 0 2 0 0 0 0 0 0 0 0 0
18.4238 -0.3897 -1.5601 C 0 0 1 0 0 0 0 0 0 0 0 0
17.0880 0.1409 -2.0585 C 0 0 2 0 0 0 0 0 0 0 0 0
16.0199 -0.9266 -1.9839 C 0 0 1 0 0 0 0 0 0 0 0 0
15.7603 -1.4265 -0.6032 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2582 -0.3236 0.3151 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9876 -0.8275 1.7045 C 0 0 1 0 0 0 0 0 0 0 0 0
14.3893 0.1411 2.6239 C 0 0 2 0 0 0 0 0 0 0 0 0
12.9943 0.5454 2.6306 C 0 0 1 0 0 0 0 0 0 0 0 0
12.2426 0.9681 1.4450 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8456 -0.1539 0.5460 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1912 0.2966 -0.7159 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0723 1.1281 -1.4201 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8705 0.9291 -0.6639 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7537 0.0885 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9041 -0.9696 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4369 0.5607 -0.3611 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2994 -0.2455 0.1446 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9407 -1.2026 -0.9939 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8163 -2.1225 -0.7783 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9884 -3.0605 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6416 -3.0731 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1614 0.6207 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3156 1.8635 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9323 0.2553 1.0208 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8257 1.1935 1.2427 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3675 1.1170 2.6363 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8650 -0.2282 3.1087 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4424 -0.1276 4.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5576 0.9904 5.1192 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9461 -1.1849 5.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8263 1.0745 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 0.9197 -0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4215 1.1118 0.2965 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4035 0.9915 -0.9479 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7944 -0.3836 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 -1.0926 -1.3827 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9067 -1.1613 -1.2983 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 -1.4243 -0.4323 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7028 -1.2220 0.9977 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5159 -2.2108 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7352 -1.7275 1.9854 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2048 -1.4672 3.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2708 -0.7257 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9997 -0.3046 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7551 -0.4423 -2.1848 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2616 -1.2691 -3.2356 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3259 -1.9181 -4.1694 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.4513 -1.1186 -5.0351 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4651 -0.1877 -4.4254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7192 -2.0456 -6.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2353 -2.3198 -2.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7993 -3.5270 -2.8694 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5035 -2.0877 -2.2347 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6625 -1.4151 -2.7508 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.5425 0.0490 -3.0282 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.1936 0.8478 -1.9815 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8776 -1.7304 -1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6932 -2.8007 -1.1939 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0835 -1.0896 -1.7955 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.5931 0.1223 -1.2505 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.1171 -0.0695 -1.1167 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.7649 1.1573 -0.5381 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.2765 0.9257 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6348 2.3946 -1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9990 0.7176 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5806 1.9464 -0.3536 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7529 0.3876 1.2485 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.7551 -0.2718 2.0276 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1473 -1.4889 2.7626 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6882 -2.6855 2.1349 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.9592 -2.6424 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8852 -3.6961 3.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3526 -0.2484 1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9587 -1.4162 1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4827 0.8560 1.4478 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8191 1.6260 2.4315 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5305 1.8118 3.7401 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.6669 2.6128 4.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4897 2.9789 1.9056 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3280 3.8907 2.2011 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3920 3.3575 1.1449 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0961 2.7136 1.0279 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1195 3.5919 1.7768 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0393 4.9928 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6992 3.7217 3.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7295 2.5673 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5617 3.1472 -1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6810 1.9305 -0.9525 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 2.1189 -0.9818 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0454 2.8688 -2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5703 0.7538 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8467 0.3838 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8768 -0.8849 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5621 0.9669 -2.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1669 1.6145 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7912 -1.2145 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
18.3666 -0.8128 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2186 0.3921 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8312 1.0769 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0792 -0.4380 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3320 -1.7530 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6434 -1.8925 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9707 -2.1949 -0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1864 0.3507 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4895 0.3069 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4121 -1.7946 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9910 -1.1311 2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9940 1.1431 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6378 -0.1774 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4123 -0.2910 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9189 1.3645 3.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7861 1.7098 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3512 1.5547 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0788 -0.8259 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6334 -0.8591 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0649 -0.6541 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5142 1.6500 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5791 1.2058 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8546 1.9253 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2097 1.4208 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6966 -0.8673 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8502 -1.8255 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7797 -0.6096 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 -1.6174 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0061 -3.5641 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3108 -2.5510 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6603 -3.8880 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3849 -2.5192 -2.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6100 -3.5710 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8342 -3.7947 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7623 -0.6990 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3374 2.2250 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4743 1.8098 2.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1100 1.5208 3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6613 -0.9976 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0061 -0.6071 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4087 -1.9563 4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 1.2192 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4167 1.2216 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 -1.7720 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 -2.5246 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3064 -0.2425 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6320 -3.1220 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5984 -1.6274 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5018 -2.4294 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7138 -1.2569 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8969 -2.8182 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3009 -0.8246 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0106 -1.0618 4.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9068 -2.4453 3.8248 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7873 0.6330 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9141 -0.5273 -3.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8838 -2.6915 -4.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6820 -2.6167 -3.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1203 -0.4857 -5.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 0.6394 -5.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 -0.7368 -4.2694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8270 0.2813 -3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0278 -1.4598 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4990 -2.4591 -6.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 -2.8946 -5.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6445 -2.5211 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8955 -1.8429 -3.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6268 0.3715 -3.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9997 0.3351 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2153 0.9670 -1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9100 -1.6796 -2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5761 0.8481 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5282 -0.1783 -2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3752 -0.9892 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3342 1.3831 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5095 -0.0637 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5402 0.9907 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8623 1.7026 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4285 2.1022 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8886 3.0652 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6315 2.9413 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5551 0.7661 1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5637 0.4613 2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9221 -1.1548 3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3229 -1.8577 3.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9257 -3.2580 1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5275 -1.7309 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6055 -3.5013 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9259 -2.6155 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9338 -3.7432 3.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6827 -3.3960 3.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1281 -4.6847 2.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2568 1.1604 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8071 1.1919 2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4255 2.4427 3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6903 0.9050 4.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8430 2.1024 4.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4971 4.2518 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0855 1.7385 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1184 3.1344 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0277 5.4923 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2920 5.6054 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7501 4.8924 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0207 4.3537 3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7075 4.1785 3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7238 2.7155 3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9679 2.8823 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0428 2.0286 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 3.5005 -2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0737 3.3711 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
19 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
27 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
40 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
48 53 1 0 0 0 0
53 54 2 0 0 0 0
53 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
56 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
62 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
70 75 1 0 0 0 0
75 76 2 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
78 81 1 0 0 0 0
81 82 2 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 1 0 0 0 0
85 87 1 0 0 0 0
84 88 1 0 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
91 36 1 0 0 0 0
1 93 1 0 0 0 0
1 94 1 0 0 0 0
1 95 1 0 0 0 0
2 96 1 0 0 0 0
2 97 1 0 0 0 0
3 98 1 0 0 0 0
3 99 1 0 0 0 0
4100 1 0 0 0 0
4101 1 0 0 0 0
5102 1 0 0 0 0
5103 1 0 0 0 0
6104 1 0 0 0 0
6105 1 0 0 0 0
7106 1 0 0 0 0
7107 1 0 0 0 0
8108 1 0 0 0 0
8109 1 0 0 0 0
9110 1 0 0 0 0
9111 1 0 0 0 0
10112 1 0 0 0 0
10113 1 0 0 0 0
11114 1 0 0 0 0
11115 1 0 0 0 0
12116 1 0 0 0 0
12117 1 0 0 0 0
13118 1 6 0 0 0
14119 1 0 0 0 0
15120 1 0 0 0 0
15121 1 0 0 0 0
18122 1 0 0 0 0
19123 1 1 0 0 0
20124 1 0 0 0 0
20125 1 0 0 0 0
21126 1 1 0 0 0
22127 1 0 0 0 0
22128 1 0 0 0 0
22129 1 0 0 0 0
23130 1 0 0 0 0
23131 1 0 0 0 0
23132 1 0 0 0 0
26133 1 0 0 0 0
27134 1 1 0 0 0
28135 1 0 0 0 0
28136 1 0 0 0 0
29137 1 0 0 0 0
29138 1 0 0 0 0
32139 1 0 0 0 0
35140 1 0 0 0 0
36141 1 6 0 0 0
39142 1 0 0 0 0
40143 1 1 0 0 0
41144 1 6 0 0 0
42145 1 0 0 0 0
42146 1 0 0 0 0
42147 1 0 0 0 0
43148 1 0 0 0 0
43149 1 0 0 0 0
44150 1 0 0 0 0
44151 1 0 0 0 0
44152 1 0 0 0 0
47153 1 0 0 0 0
48154 1 6 0 0 0
49155 1 0 0 0 0
49156 1 0 0 0 0
50157 1 6 0 0 0
51158 1 0 0 0 0
51159 1 0 0 0 0
51160 1 0 0 0 0
52161 1 0 0 0 0
52162 1 0 0 0 0
52163 1 0 0 0 0
55164 1 0 0 0 0
56165 1 6 0 0 0
57166 1 0 0 0 0
57167 1 0 0 0 0
58168 1 0 0 0 0
61169 1 0 0 0 0
62170 1 6 0 0 0
63171 1 0 0 0 0
63172 1 0 0 0 0
64173 1 1 0 0 0
65174 1 0 0 0 0
65175 1 0 0 0 0
65176 1 0 0 0 0
66177 1 0 0 0 0
66178 1 0 0 0 0
66179 1 0 0 0 0
69180 1 0 0 0 0
70181 1 1 0 0 0
71182 1 0 0 0 0
71183 1 0 0 0 0
72184 1 6 0 0 0
73185 1 0 0 0 0
73186 1 0 0 0 0
73187 1 0 0 0 0
74188 1 0 0 0 0
74189 1 0 0 0 0
74190 1 0 0 0 0
77191 1 0 0 0 0
78192 1 1 0 0 0
79193 1 0 0 0 0
79194 1 0 0 0 0
80195 1 0 0 0 0
83196 1 0 0 0 0
84197 1 1 0 0 0
85198 1 1 0 0 0
86199 1 0 0 0 0
86200 1 0 0 0 0
86201 1 0 0 0 0
87202 1 0 0 0 0
87203 1 0 0 0 0
87204 1 0 0 0 0
91205 1 1 0 0 0
92206 1 0 0 0 0
92207 1 0 0 0 0
92208 1 0 0 0 0
M END
3D MOL for NP0020759 (Orfamide H)
RDKit 3D
208208 0 0 0 0 0 0 0 0999 V2000
20.7864 0.1951 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4406 0.7277 -1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4238 -0.3897 -1.5601 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0880 0.1409 -2.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0199 -0.9266 -1.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7603 -1.4265 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2582 -0.3236 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9876 -0.8275 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3893 0.1411 2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9943 0.5454 2.6306 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2426 0.9681 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8456 -0.1539 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1912 0.2966 -0.7159 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0723 1.1281 -1.4201 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8705 0.9291 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7537 0.0885 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9041 -0.9696 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4369 0.5607 -0.3611 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2994 -0.2455 0.1446 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9407 -1.2026 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8163 -2.1225 -0.7783 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9884 -3.0605 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6416 -3.0731 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1614 0.6207 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3156 1.8635 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9323 0.2553 1.0208 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8257 1.1935 1.2427 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3675 1.1170 2.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8650 -0.2282 3.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4424 -0.1276 4.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5576 0.9904 5.1192 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9461 -1.1849 5.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8263 1.0745 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 0.9197 -0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4215 1.1118 0.2965 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4035 0.9915 -0.9479 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7944 -0.3836 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 -1.0926 -1.3827 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9067 -1.1613 -1.2983 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 -1.4243 -0.4323 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7028 -1.2220 0.9977 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5159 -2.2108 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7352 -1.7275 1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2048 -1.4672 3.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2708 -0.7257 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9997 -0.3046 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7551 -0.4423 -2.1848 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2616 -1.2691 -3.2356 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3259 -1.9181 -4.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4513 -1.1186 -5.0351 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4651 -0.1877 -4.4254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7192 -2.0456 -6.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2353 -2.3198 -2.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7993 -3.5270 -2.8694 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5035 -2.0877 -2.2347 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6625 -1.4151 -2.7508 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.5425 0.0490 -3.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1936 0.8478 -1.9815 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8776 -1.7304 -1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6932 -2.8007 -1.1939 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0835 -1.0896 -1.7955 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.5931 0.1223 -1.2505 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.1171 -0.0695 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7649 1.1573 -0.5381 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.2765 0.9257 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6348 2.3946 -1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9990 0.7176 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5806 1.9464 -0.3536 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7529 0.3876 1.2485 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.7551 -0.2718 2.0276 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1473 -1.4889 2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6882 -2.6855 2.1349 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.9592 -2.6424 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8852 -3.6961 3.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3526 -0.2484 1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9587 -1.4162 1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4827 0.8560 1.4478 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8191 1.6260 2.4315 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5305 1.8118 3.7401 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6669 2.6128 4.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4897 2.9789 1.9056 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3280 3.8907 2.2011 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3920 3.3575 1.1449 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0961 2.7136 1.0279 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1195 3.5919 1.7768 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0393 4.9928 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6992 3.7217 3.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7295 2.5673 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5617 3.1472 -1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6810 1.9305 -0.9525 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 2.1189 -0.9818 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0454 2.8688 -2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5703 0.7538 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8467 0.3838 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8768 -0.8849 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5621 0.9669 -2.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1669 1.6145 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7912 -1.2145 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
18.3666 -0.8128 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2186 0.3921 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8312 1.0769 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0792 -0.4380 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3320 -1.7530 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6434 -1.8925 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9707 -2.1949 -0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1864 0.3507 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4895 0.3069 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4121 -1.7946 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9910 -1.1311 2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9940 1.1431 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6378 -0.1774 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4123 -0.2910 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9189 1.3645 3.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7861 1.7098 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3512 1.5547 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0788 -0.8259 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6334 -0.8591 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0649 -0.6541 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5142 1.6500 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5791 1.2058 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8546 1.9253 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2097 1.4208 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6966 -0.8673 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8502 -1.8255 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7797 -0.6096 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 -1.6174 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0061 -3.5641 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3108 -2.5510 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6603 -3.8880 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3849 -2.5192 -2.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6100 -3.5710 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8342 -3.7947 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7623 -0.6990 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3374 2.2250 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4743 1.8098 2.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1100 1.5208 3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6613 -0.9976 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0061 -0.6071 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4087 -1.9563 4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 1.2192 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4167 1.2216 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 -1.7720 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 -2.5246 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3064 -0.2425 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6320 -3.1220 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5984 -1.6274 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5018 -2.4294 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7138 -1.2569 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8969 -2.8182 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3009 -0.8246 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0106 -1.0618 4.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9068 -2.4453 3.8248 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7873 0.6330 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9141 -0.5273 -3.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8838 -2.6915 -4.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6820 -2.6167 -3.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1203 -0.4857 -5.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 0.6394 -5.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 -0.7368 -4.2694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8270 0.2813 -3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0278 -1.4598 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4990 -2.4591 -6.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 -2.8946 -5.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6445 -2.5211 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8955 -1.8429 -3.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6268 0.3715 -3.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9997 0.3351 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2153 0.9670 -1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9100 -1.6796 -2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5761 0.8481 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5282 -0.1783 -2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3752 -0.9892 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3342 1.3831 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5095 -0.0637 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5402 0.9907 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8623 1.7026 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4285 2.1022 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8886 3.0652 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6315 2.9413 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5551 0.7661 1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5637 0.4613 2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9221 -1.1548 3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3229 -1.8577 3.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9257 -3.2580 1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5275 -1.7309 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6055 -3.5013 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9259 -2.6155 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9338 -3.7432 3.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6827 -3.3960 3.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1281 -4.6847 2.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2568 1.1604 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8071 1.1919 2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4255 2.4427 3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6903 0.9050 4.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8430 2.1024 4.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4971 4.2518 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0855 1.7385 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1184 3.1344 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0277 5.4923 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2920 5.6054 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7501 4.8924 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0207 4.3537 3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7075 4.1785 3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7238 2.7155 3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9679 2.8823 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0428 2.0286 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 3.5005 -2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0737 3.3711 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
21 23 1 0
19 24 1 0
24 25 2 0
24 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 2 0
30 32 1 0
27 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
41 43 1 0
43 44 1 0
40 45 1 0
45 46 2 0
45 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
50 52 1 0
48 53 1 0
53 54 2 0
53 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
56 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
64 66 1 0
62 67 1 0
67 68 2 0
67 69 1 0
69 70 1 0
70 71 1 0
71 72 1 0
72 73 1 0
72 74 1 0
70 75 1 0
75 76 2 0
75 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
78 81 1 0
81 82 2 0
81 83 1 0
83 84 1 0
84 85 1 0
85 86 1 0
85 87 1 0
84 88 1 0
88 89 2 0
88 90 1 0
90 91 1 0
91 92 1 0
91 36 1 0
1 93 1 0
1 94 1 0
1 95 1 0
2 96 1 0
2 97 1 0
3 98 1 0
3 99 1 0
4100 1 0
4101 1 0
5102 1 0
5103 1 0
6104 1 0
6105 1 0
7106 1 0
7107 1 0
8108 1 0
8109 1 0
9110 1 0
9111 1 0
10112 1 0
10113 1 0
11114 1 0
11115 1 0
12116 1 0
12117 1 0
13118 1 6
14119 1 0
15120 1 0
15121 1 0
18122 1 0
19123 1 1
20124 1 0
20125 1 0
21126 1 1
22127 1 0
22128 1 0
22129 1 0
23130 1 0
23131 1 0
23132 1 0
26133 1 0
27134 1 1
28135 1 0
28136 1 0
29137 1 0
29138 1 0
32139 1 0
35140 1 0
36141 1 6
39142 1 0
40143 1 1
41144 1 6
42145 1 0
42146 1 0
42147 1 0
43148 1 0
43149 1 0
44150 1 0
44151 1 0
44152 1 0
47153 1 0
48154 1 6
49155 1 0
49156 1 0
50157 1 6
51158 1 0
51159 1 0
51160 1 0
52161 1 0
52162 1 0
52163 1 0
55164 1 0
56165 1 6
57166 1 0
57167 1 0
58168 1 0
61169 1 0
62170 1 6
63171 1 0
63172 1 0
64173 1 1
65174 1 0
65175 1 0
65176 1 0
66177 1 0
66178 1 0
66179 1 0
69180 1 0
70181 1 1
71182 1 0
71183 1 0
72184 1 6
73185 1 0
73186 1 0
73187 1 0
74188 1 0
74189 1 0
74190 1 0
77191 1 0
78192 1 1
79193 1 0
79194 1 0
80195 1 0
83196 1 0
84197 1 1
85198 1 1
86199 1 0
86200 1 0
86201 1 0
87202 1 0
87203 1 0
87204 1 0
91205 1 1
92206 1 0
92207 1 0
92208 1 0
M END
3D SDF for NP0020759 (Orfamide H)
Mrv1652307042107533D
208208 0 0 0 0 999 V2000
20.7864 0.1951 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4406 0.7277 -1.6651 C 0 0 2 0 0 0 0 0 0 0 0 0
18.4238 -0.3897 -1.5601 C 0 0 1 0 0 0 0 0 0 0 0 0
17.0880 0.1409 -2.0585 C 0 0 2 0 0 0 0 0 0 0 0 0
16.0199 -0.9266 -1.9839 C 0 0 1 0 0 0 0 0 0 0 0 0
15.7603 -1.4265 -0.6032 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2582 -0.3236 0.3151 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9876 -0.8275 1.7045 C 0 0 1 0 0 0 0 0 0 0 0 0
14.3893 0.1411 2.6239 C 0 0 2 0 0 0 0 0 0 0 0 0
12.9943 0.5454 2.6306 C 0 0 1 0 0 0 0 0 0 0 0 0
12.2426 0.9681 1.4450 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8456 -0.1539 0.5460 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1912 0.2966 -0.7159 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0723 1.1281 -1.4201 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8705 0.9291 -0.6639 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7537 0.0885 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9041 -0.9696 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4369 0.5607 -0.3611 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2994 -0.2455 0.1446 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9407 -1.2026 -0.9939 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8163 -2.1225 -0.7783 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9884 -3.0605 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6416 -3.0731 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1614 0.6207 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3156 1.8635 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9323 0.2553 1.0208 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8257 1.1935 1.2427 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3675 1.1170 2.6363 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8650 -0.2282 3.1087 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4424 -0.1276 4.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5576 0.9904 5.1192 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9461 -1.1849 5.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8263 1.0745 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 0.9197 -0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4215 1.1118 0.2965 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4035 0.9915 -0.9479 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7944 -0.3836 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 -1.0926 -1.3827 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9067 -1.1613 -1.2983 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 -1.4243 -0.4323 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7028 -1.2220 0.9977 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5159 -2.2108 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7352 -1.7275 1.9854 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2048 -1.4672 3.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2708 -0.7257 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9997 -0.3046 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7551 -0.4423 -2.1848 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2616 -1.2691 -3.2356 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3259 -1.9181 -4.1694 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.4513 -1.1186 -5.0351 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4651 -0.1877 -4.4254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7192 -2.0456 -6.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2353 -2.3198 -2.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7993 -3.5270 -2.8694 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5035 -2.0877 -2.2347 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6625 -1.4151 -2.7508 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.5425 0.0490 -3.0282 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.1936 0.8478 -1.9815 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8776 -1.7304 -1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6932 -2.8007 -1.1939 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0835 -1.0896 -1.7955 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.5931 0.1223 -1.2505 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.1171 -0.0695 -1.1167 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.7649 1.1573 -0.5381 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.2765 0.9257 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6348 2.3946 -1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9990 0.7176 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5806 1.9464 -0.3536 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7529 0.3876 1.2485 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.7551 -0.2718 2.0276 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1473 -1.4889 2.7626 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6882 -2.6855 2.1349 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.9592 -2.6424 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8852 -3.6961 3.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3526 -0.2484 1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9587 -1.4162 1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4827 0.8560 1.4478 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8191 1.6260 2.4315 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5305 1.8118 3.7401 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.6669 2.6128 4.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4897 2.9789 1.9056 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3280 3.8907 2.2011 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3920 3.3575 1.1449 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0961 2.7136 1.0279 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1195 3.5919 1.7768 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0393 4.9928 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6992 3.7217 3.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7295 2.5673 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5617 3.1472 -1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6810 1.9305 -0.9525 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 2.1189 -0.9818 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0454 2.8688 -2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5703 0.7538 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8467 0.3838 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8768 -0.8849 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5621 0.9669 -2.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1669 1.6145 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7912 -1.2145 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
18.3666 -0.8128 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2186 0.3921 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8312 1.0769 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0792 -0.4380 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3320 -1.7530 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6434 -1.8925 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9707 -2.1949 -0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1864 0.3507 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4895 0.3069 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4121 -1.7946 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9910 -1.1311 2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9940 1.1431 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6378 -0.1774 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4123 -0.2910 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9189 1.3645 3.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7861 1.7098 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3512 1.5547 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0788 -0.8259 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6334 -0.8591 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0649 -0.6541 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5142 1.6500 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5791 1.2058 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8546 1.9253 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2097 1.4208 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6966 -0.8673 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8502 -1.8255 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7797 -0.6096 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 -1.6174 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0061 -3.5641 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3108 -2.5510 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6603 -3.8880 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3849 -2.5192 -2.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6100 -3.5710 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8342 -3.7947 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7623 -0.6990 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3374 2.2250 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4743 1.8098 2.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1100 1.5208 3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6613 -0.9976 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0061 -0.6071 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4087 -1.9563 4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 1.2192 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4167 1.2216 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 -1.7720 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 -2.5246 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3064 -0.2425 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6320 -3.1220 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5984 -1.6274 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5018 -2.4294 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7138 -1.2569 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8969 -2.8182 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3009 -0.8246 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0106 -1.0618 4.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9068 -2.4453 3.8248 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7873 0.6330 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9141 -0.5273 -3.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8838 -2.6915 -4.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6820 -2.6167 -3.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1203 -0.4857 -5.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 0.6394 -5.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 -0.7368 -4.2694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8270 0.2813 -3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0278 -1.4598 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4990 -2.4591 -6.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 -2.8946 -5.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6445 -2.5211 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8955 -1.8429 -3.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6268 0.3715 -3.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9997 0.3351 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2153 0.9670 -1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9100 -1.6796 -2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5761 0.8481 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5282 -0.1783 -2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3752 -0.9892 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3342 1.3831 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5095 -0.0637 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5402 0.9907 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8623 1.7026 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4285 2.1022 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8886 3.0652 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6315 2.9413 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5551 0.7661 1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5637 0.4613 2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9221 -1.1548 3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3229 -1.8577 3.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9257 -3.2580 1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5275 -1.7309 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6055 -3.5013 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9259 -2.6155 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9338 -3.7432 3.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6827 -3.3960 3.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1281 -4.6847 2.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2568 1.1604 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8071 1.1919 2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4255 2.4427 3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6903 0.9050 4.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8430 2.1024 4.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4971 4.2518 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0855 1.7385 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1184 3.1344 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0277 5.4923 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2920 5.6054 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7501 4.8924 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0207 4.3537 3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7075 4.1785 3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7238 2.7155 3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9679 2.8823 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0428 2.0286 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 3.5005 -2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0737 3.3711 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
19 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
27 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
40 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
48 53 1 0 0 0 0
53 54 2 0 0 0 0
53 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
56 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
62 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
70 75 1 0 0 0 0
75 76 2 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
78 81 1 0 0 0 0
81 82 2 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 1 0 0 0 0
85 87 1 0 0 0 0
84 88 1 0 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
91 36 1 0 0 0 0
1 93 1 0 0 0 0
1 94 1 0 0 0 0
1 95 1 0 0 0 0
2 96 1 0 0 0 0
2 97 1 0 0 0 0
3 98 1 0 0 0 0
3 99 1 0 0 0 0
4100 1 0 0 0 0
4101 1 0 0 0 0
5102 1 0 0 0 0
5103 1 0 0 0 0
6104 1 0 0 0 0
6105 1 0 0 0 0
7106 1 0 0 0 0
7107 1 0 0 0 0
8108 1 0 0 0 0
8109 1 0 0 0 0
9110 1 0 0 0 0
9111 1 0 0 0 0
10112 1 0 0 0 0
10113 1 0 0 0 0
11114 1 0 0 0 0
11115 1 0 0 0 0
12116 1 0 0 0 0
12117 1 0 0 0 0
13118 1 6 0 0 0
14119 1 0 0 0 0
15120 1 0 0 0 0
15121 1 0 0 0 0
18122 1 0 0 0 0
19123 1 1 0 0 0
20124 1 0 0 0 0
20125 1 0 0 0 0
21126 1 1 0 0 0
22127 1 0 0 0 0
22128 1 0 0 0 0
22129 1 0 0 0 0
23130 1 0 0 0 0
23131 1 0 0 0 0
23132 1 0 0 0 0
26133 1 0 0 0 0
27134 1 1 0 0 0
28135 1 0 0 0 0
28136 1 0 0 0 0
29137 1 0 0 0 0
29138 1 0 0 0 0
32139 1 0 0 0 0
35140 1 0 0 0 0
36141 1 6 0 0 0
39142 1 0 0 0 0
40143 1 1 0 0 0
41144 1 6 0 0 0
42145 1 0 0 0 0
42146 1 0 0 0 0
42147 1 0 0 0 0
43148 1 0 0 0 0
43149 1 0 0 0 0
44150 1 0 0 0 0
44151 1 0 0 0 0
44152 1 0 0 0 0
47153 1 0 0 0 0
48154 1 6 0 0 0
49155 1 0 0 0 0
49156 1 0 0 0 0
50157 1 6 0 0 0
51158 1 0 0 0 0
51159 1 0 0 0 0
51160 1 0 0 0 0
52161 1 0 0 0 0
52162 1 0 0 0 0
52163 1 0 0 0 0
55164 1 0 0 0 0
56165 1 6 0 0 0
57166 1 0 0 0 0
57167 1 0 0 0 0
58168 1 0 0 0 0
61169 1 0 0 0 0
62170 1 6 0 0 0
63171 1 0 0 0 0
63172 1 0 0 0 0
64173 1 1 0 0 0
65174 1 0 0 0 0
65175 1 0 0 0 0
65176 1 0 0 0 0
66177 1 0 0 0 0
66178 1 0 0 0 0
66179 1 0 0 0 0
69180 1 0 0 0 0
70181 1 1 0 0 0
71182 1 0 0 0 0
71183 1 0 0 0 0
72184 1 6 0 0 0
73185 1 0 0 0 0
73186 1 0 0 0 0
73187 1 0 0 0 0
74188 1 0 0 0 0
74189 1 0 0 0 0
74190 1 0 0 0 0
77191 1 0 0 0 0
78192 1 1 0 0 0
79193 1 0 0 0 0
79194 1 0 0 0 0
80195 1 0 0 0 0
83196 1 0 0 0 0
84197 1 1 0 0 0
85198 1 1 0 0 0
86199 1 0 0 0 0
86200 1 0 0 0 0
86201 1 0 0 0 0
87202 1 0 0 0 0
87203 1 0 0 0 0
87204 1 0 0 0 0
91205 1 1 0 0 0
92206 1 0 0 0 0
92207 1 0 0 0 0
92208 1 0 0 0 0
M END
> <DATABASE_ID>
NP0020759
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[C@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C65H116N10O17/c1-15-17-18-19-20-21-22-23-24-25-26-43(78)33-51(79)66-45(29-36(3)4)57(83)67-44(27-28-52(80)81)56(82)75-55-42(14)92-65(91)53(40(11)12)73-62(88)50(35-77)72-59(85)47(31-38(7)8)68-58(84)46(30-37(5)6)69-61(87)49(34-76)71-60(86)48(32-39(9)10)70-63(89)54(41(13)16-2)74-64(55)90/h36-50,53-55,76-78H,15-35H2,1-14H3,(H,66,79)(H,67,83)(H,68,84)(H,69,87)(H,70,89)(H,71,86)(H,72,85)(H,73,88)(H,74,90)(H,75,82)(H,80,81)/t41-,42-,43+,44-,45-,46+,47+,48+,49-,50-,53-,54+,55-/m1/s1
> <INCHI_KEY>
DWMZHBRAZSJRFR-UHFFFAOYSA-N
> <FORMULA>
C65H116N10O17
> <MOLECULAR_WEIGHT>
1309.696
> <EXACT_MASS>
1308.851992315
> <JCHEM_ACCEPTOR_COUNT>
16
> <JCHEM_ATOM_COUNT>
208
> <JCHEM_AVERAGE_POLARIZABILITY>
145.5774847055921
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
14
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(4R)-4-{[(3R,6R,12S,15R,18S,21S,24R,25R)-21-[(2R)-butan-2-yl]-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}-4-[(2R)-2-[(3S)-3-hydroxypentadecanamido]-4-methylpentanamido]butanoic acid
> <ALOGPS_LOGP>
2.84
> <JCHEM_LOGP>
4.039178349666669
> <ALOGPS_LOGS>
-5.10
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.235799130353692
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9006051269618527
> <JCHEM_POLAR_SURFACE_AREA>
415.2899999999999
> <JCHEM_REFRACTIVITY>
340.6068
> <JCHEM_ROTATABLE_BOND_COUNT>
34
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.04e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(4R)-4-{[(3R,6R,12S,15R,18S,21S,24R,25R)-21-[(2R)-butan-2-yl]-6,15-bis(hydroxymethyl)-3-isopropyl-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}-4-[(2R)-2-[(3S)-3-hydroxypentadecanamido]-4-methylpentanamido]butanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0020759 (Orfamide H)
RDKit 3D
208208 0 0 0 0 0 0 0 0999 V2000
20.7864 0.1951 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4406 0.7277 -1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4238 -0.3897 -1.5601 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0880 0.1409 -2.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0199 -0.9266 -1.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7603 -1.4265 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2582 -0.3236 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9876 -0.8275 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3893 0.1411 2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9943 0.5454 2.6306 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2426 0.9681 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8456 -0.1539 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1912 0.2966 -0.7159 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0723 1.1281 -1.4201 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8705 0.9291 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7537 0.0885 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9041 -0.9696 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4369 0.5607 -0.3611 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2994 -0.2455 0.1446 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9407 -1.2026 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8163 -2.1225 -0.7783 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9884 -3.0605 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6416 -3.0731 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1614 0.6207 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3156 1.8635 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9323 0.2553 1.0208 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8257 1.1935 1.2427 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3675 1.1170 2.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8650 -0.2282 3.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4424 -0.1276 4.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5576 0.9904 5.1192 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9461 -1.1849 5.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8263 1.0745 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 0.9197 -0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4215 1.1118 0.2965 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4035 0.9915 -0.9479 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7944 -0.3836 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 -1.0926 -1.3827 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9067 -1.1613 -1.2983 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 -1.4243 -0.4323 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7028 -1.2220 0.9977 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5159 -2.2108 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7352 -1.7275 1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2048 -1.4672 3.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2708 -0.7257 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9997 -0.3046 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7551 -0.4423 -2.1848 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2616 -1.2691 -3.2356 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3259 -1.9181 -4.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4513 -1.1186 -5.0351 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4651 -0.1877 -4.4254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7192 -2.0456 -6.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2353 -2.3198 -2.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7993 -3.5270 -2.8694 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5035 -2.0877 -2.2347 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6625 -1.4151 -2.7508 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.5425 0.0490 -3.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1936 0.8478 -1.9815 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8776 -1.7304 -1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6932 -2.8007 -1.1939 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0835 -1.0896 -1.7955 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.5931 0.1223 -1.2505 C 0 0 1 0 0 0 0 0 0 0 0 0
-13.1171 -0.0695 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7649 1.1573 -0.5381 C 0 0 2 0 0 0 0 0 0 0 0 0
-15.2765 0.9257 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6348 2.3946 -1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9990 0.7176 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5806 1.9464 -0.3536 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7529 0.3876 1.2485 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.7551 -0.2718 2.0276 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1473 -1.4889 2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6882 -2.6855 2.1349 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.9592 -2.6424 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8852 -3.6961 3.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3526 -0.2484 1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9587 -1.4162 1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4827 0.8560 1.4478 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8191 1.6260 2.4315 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5305 1.8118 3.7401 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6669 2.6128 4.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4897 2.9789 1.9056 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3280 3.8907 2.2011 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3920 3.3575 1.1449 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0961 2.7136 1.0279 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1195 3.5919 1.7768 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0393 4.9928 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6992 3.7217 3.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7295 2.5673 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5617 3.1472 -1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6810 1.9305 -0.9525 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 2.1189 -0.9818 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0454 2.8688 -2.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5703 0.7538 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8467 0.3838 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8768 -0.8849 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5621 0.9669 -2.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1669 1.6145 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7912 -1.2145 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
18.3666 -0.8128 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2186 0.3921 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8312 1.0769 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0792 -0.4380 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3320 -1.7530 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6434 -1.8925 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9707 -2.1949 -0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1864 0.3507 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4895 0.3069 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4121 -1.7946 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9910 -1.1311 2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9940 1.1431 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6378 -0.1774 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4123 -0.2910 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9189 1.3645 3.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7861 1.7098 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3512 1.5547 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0788 -0.8259 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6334 -0.8591 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0649 -0.6541 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5142 1.6500 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5791 1.2058 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8546 1.9253 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2097 1.4208 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6966 -0.8673 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8502 -1.8255 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7797 -0.6096 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 -1.6174 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0061 -3.5641 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3108 -2.5510 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6603 -3.8880 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3849 -2.5192 -2.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6100 -3.5710 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8342 -3.7947 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7623 -0.6990 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3374 2.2250 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4743 1.8098 2.7849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1100 1.5208 3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6613 -0.9976 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0061 -0.6071 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4087 -1.9563 4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 1.2192 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4167 1.2216 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 -1.7720 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 -2.5246 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3064 -0.2425 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6320 -3.1220 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5984 -1.6274 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5018 -2.4294 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7138 -1.2569 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8969 -2.8182 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3009 -0.8246 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0106 -1.0618 4.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9068 -2.4453 3.8248 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7873 0.6330 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9141 -0.5273 -3.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8838 -2.6915 -4.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6820 -2.6167 -3.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1203 -0.4857 -5.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 0.6394 -5.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 -0.7368 -4.2694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8270 0.2813 -3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0278 -1.4598 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4990 -2.4591 -6.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 -2.8946 -5.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6445 -2.5211 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8955 -1.8429 -3.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6268 0.3715 -3.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9997 0.3351 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2153 0.9670 -1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9100 -1.6796 -2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5761 0.8481 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5282 -0.1783 -2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3752 -0.9892 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3342 1.3831 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5095 -0.0637 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5402 0.9907 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8623 1.7026 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4285 2.1022 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8886 3.0652 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.6315 2.9413 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5551 0.7661 1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5637 0.4613 2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9221 -1.1548 3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3229 -1.8577 3.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9257 -3.2580 1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5275 -1.7309 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6055 -3.5013 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9259 -2.6155 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9338 -3.7432 3.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6827 -3.3960 3.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1281 -4.6847 2.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2568 1.1604 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8071 1.1919 2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4255 2.4427 3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6903 0.9050 4.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8430 2.1024 4.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4971 4.2518 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0855 1.7385 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1184 3.1344 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0277 5.4923 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2920 5.6054 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7501 4.8924 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0207 4.3537 3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7075 4.1785 3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7238 2.7155 3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9679 2.8823 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0428 2.0286 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 3.5005 -2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0737 3.3711 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
21 23 1 0
19 24 1 0
24 25 2 0
24 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 2 0
30 32 1 0
27 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
41 43 1 0
43 44 1 0
40 45 1 0
45 46 2 0
45 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
50 52 1 0
48 53 1 0
53 54 2 0
53 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
56 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
64 66 1 0
62 67 1 0
67 68 2 0
67 69 1 0
69 70 1 0
70 71 1 0
71 72 1 0
72 73 1 0
72 74 1 0
70 75 1 0
75 76 2 0
75 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
78 81 1 0
81 82 2 0
81 83 1 0
83 84 1 0
84 85 1 0
85 86 1 0
85 87 1 0
84 88 1 0
88 89 2 0
88 90 1 0
90 91 1 0
91 92 1 0
91 36 1 0
1 93 1 0
1 94 1 0
1 95 1 0
2 96 1 0
2 97 1 0
3 98 1 0
3 99 1 0
4100 1 0
4101 1 0
5102 1 0
5103 1 0
6104 1 0
6105 1 0
7106 1 0
7107 1 0
8108 1 0
8109 1 0
9110 1 0
9111 1 0
10112 1 0
10113 1 0
11114 1 0
11115 1 0
12116 1 0
12117 1 0
13118 1 6
14119 1 0
15120 1 0
15121 1 0
18122 1 0
19123 1 1
20124 1 0
20125 1 0
21126 1 1
22127 1 0
22128 1 0
22129 1 0
23130 1 0
23131 1 0
23132 1 0
26133 1 0
27134 1 1
28135 1 0
28136 1 0
29137 1 0
29138 1 0
32139 1 0
35140 1 0
36141 1 6
39142 1 0
40143 1 1
41144 1 6
42145 1 0
42146 1 0
42147 1 0
43148 1 0
43149 1 0
44150 1 0
44151 1 0
44152 1 0
47153 1 0
48154 1 6
49155 1 0
49156 1 0
50157 1 6
51158 1 0
51159 1 0
51160 1 0
52161 1 0
52162 1 0
52163 1 0
55164 1 0
56165 1 6
57166 1 0
57167 1 0
58168 1 0
61169 1 0
62170 1 6
63171 1 0
63172 1 0
64173 1 1
65174 1 0
65175 1 0
65176 1 0
66177 1 0
66178 1 0
66179 1 0
69180 1 0
70181 1 1
71182 1 0
71183 1 0
72184 1 6
73185 1 0
73186 1 0
73187 1 0
74188 1 0
74189 1 0
74190 1 0
77191 1 0
78192 1 1
79193 1 0
79194 1 0
80195 1 0
83196 1 0
84197 1 1
85198 1 1
86199 1 0
86200 1 0
86201 1 0
87202 1 0
87203 1 0
87204 1 0
91205 1 1
92206 1 0
92207 1 0
92208 1 0
M END
PDB for NP0020759 (Orfamide H)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 20.786 0.195 -1.170 0.00 0.00 C+0 HETATM 2 C UNK 0 19.441 0.728 -1.665 0.00 0.00 C+0 HETATM 3 C UNK 0 18.424 -0.390 -1.560 0.00 0.00 C+0 HETATM 4 C UNK 0 17.088 0.141 -2.059 0.00 0.00 C+0 HETATM 5 C UNK 0 16.020 -0.927 -1.984 0.00 0.00 C+0 HETATM 6 C UNK 0 15.760 -1.427 -0.603 0.00 0.00 C+0 HETATM 7 C UNK 0 15.258 -0.324 0.315 0.00 0.00 C+0 HETATM 8 C UNK 0 14.988 -0.828 1.704 0.00 0.00 C+0 HETATM 9 C UNK 0 14.389 0.141 2.624 0.00 0.00 C+0 HETATM 10 C UNK 0 12.994 0.545 2.631 0.00 0.00 C+0 HETATM 11 C UNK 0 12.243 0.968 1.445 0.00 0.00 C+0 HETATM 12 C UNK 0 11.846 -0.154 0.546 0.00 0.00 C+0 HETATM 13 C UNK 0 11.191 0.297 -0.716 0.00 0.00 C+0 HETATM 14 O UNK 0 12.072 1.128 -1.420 0.00 0.00 O+0 HETATM 15 C UNK 0 9.870 0.929 -0.664 0.00 0.00 C+0 HETATM 16 C UNK 0 8.754 0.089 -0.116 0.00 0.00 C+0 HETATM 17 O UNK 0 8.904 -0.970 0.511 0.00 0.00 O+0 HETATM 18 N UNK 0 7.437 0.561 -0.361 0.00 0.00 N+0 HETATM 19 C UNK 0 6.299 -0.246 0.145 0.00 0.00 C+0 HETATM 20 C UNK 0 5.941 -1.203 -0.994 0.00 0.00 C+0 HETATM 21 C UNK 0 4.816 -2.123 -0.778 0.00 0.00 C+0 HETATM 22 C UNK 0 4.988 -3.061 0.399 0.00 0.00 C+0 HETATM 23 C UNK 0 4.642 -3.073 -1.987 0.00 0.00 C+0 HETATM 24 C UNK 0 5.161 0.621 0.435 0.00 0.00 C+0 HETATM 25 O UNK 0 5.316 1.863 0.106 0.00 0.00 O+0 HETATM 26 N UNK 0 3.932 0.255 1.021 0.00 0.00 N+0 HETATM 27 C UNK 0 2.826 1.194 1.243 0.00 0.00 C+0 HETATM 28 C UNK 0 2.368 1.117 2.636 0.00 0.00 C+0 HETATM 29 C UNK 0 1.865 -0.228 3.109 0.00 0.00 C+0 HETATM 30 C UNK 0 1.442 -0.128 4.556 0.00 0.00 C+0 HETATM 31 O UNK 0 1.558 0.990 5.119 0.00 0.00 O+0 HETATM 32 O UNK 0 0.946 -1.185 5.275 0.00 0.00 O+0 HETATM 33 C UNK 0 1.826 1.075 0.172 0.00 0.00 C+0 HETATM 34 O UNK 0 2.296 0.920 -0.999 0.00 0.00 O+0 HETATM 35 N UNK 0 0.422 1.112 0.297 0.00 0.00 N+0 HETATM 36 C UNK 0 -0.404 0.992 -0.948 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.794 -0.384 -1.196 0.00 0.00 C+0 HETATM 38 O UNK 0 0.323 -1.093 -1.383 0.00 0.00 O+0 HETATM 39 N UNK 0 -1.907 -1.161 -1.298 0.00 0.00 N+0 HETATM 40 C UNK 0 -3.064 -1.424 -0.432 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.703 -1.222 0.998 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.516 -2.211 1.238 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.735 -1.728 1.985 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.205 -1.467 3.416 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.271 -0.726 -0.912 0.00 0.00 C+0 HETATM 46 O UNK 0 -5.000 -0.305 0.062 0.00 0.00 O+0 HETATM 47 N UNK 0 -4.755 -0.442 -2.185 0.00 0.00 N+0 HETATM 48 C UNK 0 -5.262 -1.269 -3.236 0.00 0.00 C+0 HETATM 49 C UNK 0 -4.326 -1.918 -4.169 0.00 0.00 C+0 HETATM 50 C UNK 0 -3.451 -1.119 -5.035 0.00 0.00 C+0 HETATM 51 C UNK 0 -2.465 -0.188 -4.425 0.00 0.00 C+0 HETATM 52 C UNK 0 -2.719 -2.046 -6.037 0.00 0.00 C+0 HETATM 53 C UNK 0 -6.235 -2.320 -2.759 0.00 0.00 C+0 HETATM 54 O UNK 0 -5.799 -3.527 -2.869 0.00 0.00 O+0 HETATM 55 N UNK 0 -7.503 -2.088 -2.235 0.00 0.00 N+0 HETATM 56 C UNK 0 -8.662 -1.415 -2.751 0.00 0.00 C+0 HETATM 57 C UNK 0 -8.543 0.049 -3.028 0.00 0.00 C+0 HETATM 58 O UNK 0 -8.194 0.848 -1.982 0.00 0.00 O+0 HETATM 59 C UNK 0 -9.878 -1.730 -1.908 0.00 0.00 C+0 HETATM 60 O UNK 0 -9.693 -2.801 -1.194 0.00 0.00 O+0 HETATM 61 N UNK 0 -11.084 -1.090 -1.796 0.00 0.00 N+0 HETATM 62 C UNK 0 -11.593 0.122 -1.250 0.00 0.00 C+0 HETATM 63 C UNK 0 -13.117 -0.070 -1.117 0.00 0.00 C+0 HETATM 64 C UNK 0 -13.765 1.157 -0.538 0.00 0.00 C+0 HETATM 65 C UNK 0 -15.277 0.926 -0.392 0.00 0.00 C+0 HETATM 66 C UNK 0 -13.635 2.395 -1.389 0.00 0.00 C+0 HETATM 67 C UNK 0 -10.999 0.718 -0.066 0.00 0.00 C+0 HETATM 68 O UNK 0 -10.581 1.946 -0.354 0.00 0.00 O+0 HETATM 69 N UNK 0 -10.753 0.388 1.248 0.00 0.00 N+0 HETATM 70 C UNK 0 -9.755 -0.272 2.028 0.00 0.00 C+0 HETATM 71 C UNK 0 -10.147 -1.489 2.763 0.00 0.00 C+0 HETATM 72 C UNK 0 -10.688 -2.686 2.135 0.00 0.00 C+0 HETATM 73 C UNK 0 -11.959 -2.642 1.396 0.00 0.00 C+0 HETATM 74 C UNK 0 -10.885 -3.696 3.288 0.00 0.00 C+0 HETATM 75 C UNK 0 -8.353 -0.248 1.531 0.00 0.00 C+0 HETATM 76 O UNK 0 -7.959 -1.416 1.149 0.00 0.00 O+0 HETATM 77 N UNK 0 -7.483 0.856 1.448 0.00 0.00 N+0 HETATM 78 C UNK 0 -6.819 1.626 2.432 0.00 0.00 C+0 HETATM 79 C UNK 0 -7.531 1.812 3.740 0.00 0.00 C+0 HETATM 80 O UNK 0 -6.667 2.613 4.537 0.00 0.00 O+0 HETATM 81 C UNK 0 -6.490 2.979 1.906 0.00 0.00 C+0 HETATM 82 O UNK 0 -7.328 3.891 2.201 0.00 0.00 O+0 HETATM 83 N UNK 0 -5.392 3.357 1.145 0.00 0.00 N+0 HETATM 84 C UNK 0 -4.096 2.714 1.028 0.00 0.00 C+0 HETATM 85 C UNK 0 -3.119 3.592 1.777 0.00 0.00 C+0 HETATM 86 C UNK 0 -3.039 4.993 1.209 0.00 0.00 C+0 HETATM 87 C UNK 0 -3.699 3.722 3.179 0.00 0.00 C+0 HETATM 88 C UNK 0 -3.729 2.567 -0.397 0.00 0.00 C+0 HETATM 89 O UNK 0 -4.562 3.147 -1.200 0.00 0.00 O+0 HETATM 90 O UNK 0 -2.681 1.931 -0.953 0.00 0.00 O+0 HETATM 91 C UNK 0 -1.323 2.119 -0.982 0.00 0.00 C+0 HETATM 92 C UNK 0 -1.045 2.869 -2.316 0.00 0.00 C+0 HETATM 93 H UNK 0 21.570 0.754 -1.696 0.00 0.00 H+0 HETATM 94 H UNK 0 20.847 0.384 -0.095 0.00 0.00 H+0 HETATM 95 H UNK 0 20.877 -0.885 -1.428 0.00 0.00 H+0 HETATM 96 H UNK 0 19.562 0.967 -2.733 0.00 0.00 H+0 HETATM 97 H UNK 0 19.167 1.615 -1.056 0.00 0.00 H+0 HETATM 98 H UNK 0 18.791 -1.214 -2.217 0.00 0.00 H+0 HETATM 99 H UNK 0 18.367 -0.813 -0.552 0.00 0.00 H+0 HETATM 100 H UNK 0 17.219 0.392 -3.132 0.00 0.00 H+0 HETATM 101 H UNK 0 16.831 1.077 -1.534 0.00 0.00 H+0 HETATM 102 H UNK 0 15.079 -0.438 -2.347 0.00 0.00 H+0 HETATM 103 H UNK 0 16.332 -1.753 -2.627 0.00 0.00 H+0 HETATM 104 H UNK 0 16.643 -1.893 -0.124 0.00 0.00 H+0 HETATM 105 H UNK 0 14.971 -2.195 -0.660 0.00 0.00 H+0 HETATM 106 H UNK 0 16.186 0.351 0.424 0.00 0.00 H+0 HETATM 107 H UNK 0 14.489 0.307 -0.081 0.00 0.00 H+0 HETATM 108 H UNK 0 14.412 -1.795 1.681 0.00 0.00 H+0 HETATM 109 H UNK 0 15.991 -1.131 2.124 0.00 0.00 H+0 HETATM 110 H UNK 0 14.994 1.143 2.571 0.00 0.00 H+0 HETATM 111 H UNK 0 14.638 -0.177 3.707 0.00 0.00 H+0 HETATM 112 H UNK 0 12.412 -0.291 3.191 0.00 0.00 H+0 HETATM 113 H UNK 0 12.919 1.365 3.456 0.00 0.00 H+0 HETATM 114 H UNK 0 12.786 1.710 0.804 0.00 0.00 H+0 HETATM 115 H UNK 0 11.351 1.555 1.805 0.00 0.00 H+0 HETATM 116 H UNK 0 11.079 -0.826 1.125 0.00 0.00 H+0 HETATM 117 H UNK 0 12.633 -0.859 0.351 0.00 0.00 H+0 HETATM 118 H UNK 0 11.065 -0.654 -1.335 0.00 0.00 H+0 HETATM 119 H UNK 0 11.514 1.650 -2.062 0.00 0.00 H+0 HETATM 120 H UNK 0 9.579 1.206 -1.715 0.00 0.00 H+0 HETATM 121 H UNK 0 9.855 1.925 -0.131 0.00 0.00 H+0 HETATM 122 H UNK 0 7.210 1.421 -0.859 0.00 0.00 H+0 HETATM 123 H UNK 0 6.697 -0.867 0.951 0.00 0.00 H+0 HETATM 124 H UNK 0 6.850 -1.825 -1.219 0.00 0.00 H+0 HETATM 125 H UNK 0 5.780 -0.610 -1.915 0.00 0.00 H+0 HETATM 126 H UNK 0 3.831 -1.617 -0.704 0.00 0.00 H+0 HETATM 127 H UNK 0 4.006 -3.564 0.614 0.00 0.00 H+0 HETATM 128 H UNK 0 5.311 -2.551 1.319 0.00 0.00 H+0 HETATM 129 H UNK 0 5.660 -3.888 0.082 0.00 0.00 H+0 HETATM 130 H UNK 0 4.385 -2.519 -2.894 0.00 0.00 H+0 HETATM 131 H UNK 0 5.610 -3.571 -2.123 0.00 0.00 H+0 HETATM 132 H UNK 0 3.834 -3.795 -1.761 0.00 0.00 H+0 HETATM 133 H UNK 0 3.762 -0.699 1.354 0.00 0.00 H+0 HETATM 134 H UNK 0 3.337 2.225 1.141 0.00 0.00 H+0 HETATM 135 H UNK 0 1.474 1.810 2.785 0.00 0.00 H+0 HETATM 136 H UNK 0 3.110 1.521 3.367 0.00 0.00 H+0 HETATM 137 H UNK 0 2.661 -0.998 3.110 0.00 0.00 H+0 HETATM 138 H UNK 0 1.006 -0.607 2.564 0.00 0.00 H+0 HETATM 139 H UNK 0 0.409 -1.956 4.940 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.048 1.219 1.218 0.00 0.00 H+0 HETATM 141 H UNK 0 0.417 1.222 -1.748 0.00 0.00 H+0 HETATM 142 H UNK 0 -1.991 -1.772 -2.193 0.00 0.00 H+0 HETATM 143 H UNK 0 -3.357 -2.525 -0.479 0.00 0.00 H+0 HETATM 144 H UNK 0 -2.306 -0.243 1.276 0.00 0.00 H+0 HETATM 145 H UNK 0 -1.632 -3.122 0.629 0.00 0.00 H+0 HETATM 146 H UNK 0 -0.598 -1.627 1.045 0.00 0.00 H+0 HETATM 147 H UNK 0 -1.502 -2.429 2.337 0.00 0.00 H+0 HETATM 148 H UNK 0 -4.714 -1.257 1.896 0.00 0.00 H+0 HETATM 149 H UNK 0 -3.897 -2.818 1.898 0.00 0.00 H+0 HETATM 150 H UNK 0 -2.301 -0.825 3.356 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.011 -1.062 4.057 0.00 0.00 H+0 HETATM 152 H UNK 0 -2.907 -2.445 3.825 0.00 0.00 H+0 HETATM 153 H UNK 0 -4.787 0.633 -2.415 0.00 0.00 H+0 HETATM 154 H UNK 0 -5.914 -0.527 -3.861 0.00 0.00 H+0 HETATM 155 H UNK 0 -4.884 -2.692 -4.819 0.00 0.00 H+0 HETATM 156 H UNK 0 -3.682 -2.617 -3.552 0.00 0.00 H+0 HETATM 157 H UNK 0 -4.120 -0.486 -5.694 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.264 0.639 -5.176 0.00 0.00 H+0 HETATM 159 H UNK 0 -1.494 -0.737 -4.269 0.00 0.00 H+0 HETATM 160 H UNK 0 -2.827 0.281 -3.518 0.00 0.00 H+0 HETATM 161 H UNK 0 -2.028 -1.460 -6.643 0.00 0.00 H+0 HETATM 162 H UNK 0 -3.499 -2.459 -6.733 0.00 0.00 H+0 HETATM 163 H UNK 0 -2.248 -2.895 -5.507 0.00 0.00 H+0 HETATM 164 H UNK 0 -7.644 -2.521 -1.253 0.00 0.00 H+0 HETATM 165 H UNK 0 -8.896 -1.843 -3.804 0.00 0.00 H+0 HETATM 166 H UNK 0 -9.627 0.372 -3.298 0.00 0.00 H+0 HETATM 167 H UNK 0 -8.000 0.335 -3.928 0.00 0.00 H+0 HETATM 168 H UNK 0 -7.215 0.967 -1.970 0.00 0.00 H+0 HETATM 169 H UNK 0 -11.910 -1.680 -2.244 0.00 0.00 H+0 HETATM 170 H UNK 0 -11.576 0.848 -2.139 0.00 0.00 H+0 HETATM 171 H UNK 0 -13.528 -0.178 -2.149 0.00 0.00 H+0 HETATM 172 H UNK 0 -13.375 -0.989 -0.593 0.00 0.00 H+0 HETATM 173 H UNK 0 -13.334 1.383 0.461 0.00 0.00 H+0 HETATM 174 H UNK 0 -15.509 -0.064 -0.833 0.00 0.00 H+0 HETATM 175 H UNK 0 -15.540 0.991 0.683 0.00 0.00 H+0 HETATM 176 H UNK 0 -15.862 1.703 -0.901 0.00 0.00 H+0 HETATM 177 H UNK 0 -13.428 2.102 -2.438 0.00 0.00 H+0 HETATM 178 H UNK 0 -12.889 3.065 -0.939 0.00 0.00 H+0 HETATM 179 H UNK 0 -14.632 2.941 -1.328 0.00 0.00 H+0 HETATM 180 H UNK 0 -11.555 0.766 1.928 0.00 0.00 H+0 HETATM 181 H UNK 0 -9.564 0.461 2.949 0.00 0.00 H+0 HETATM 182 H UNK 0 -10.922 -1.155 3.539 0.00 0.00 H+0 HETATM 183 H UNK 0 -9.323 -1.858 3.459 0.00 0.00 H+0 HETATM 184 H UNK 0 -9.926 -3.258 1.500 0.00 0.00 H+0 HETATM 185 H UNK 0 -12.527 -1.731 1.734 0.00 0.00 H+0 HETATM 186 H UNK 0 -12.605 -3.501 1.696 0.00 0.00 H+0 HETATM 187 H UNK 0 -11.926 -2.615 0.313 0.00 0.00 H+0 HETATM 188 H UNK 0 -9.934 -3.743 3.844 0.00 0.00 H+0 HETATM 189 H UNK 0 -11.683 -3.396 3.974 0.00 0.00 H+0 HETATM 190 H UNK 0 -11.128 -4.685 2.876 0.00 0.00 H+0 HETATM 191 H UNK 0 -7.257 1.160 0.446 0.00 0.00 H+0 HETATM 192 H UNK 0 -5.807 1.192 2.714 0.00 0.00 H+0 HETATM 193 H UNK 0 -8.425 2.443 3.573 0.00 0.00 H+0 HETATM 194 H UNK 0 -7.690 0.905 4.323 0.00 0.00 H+0 HETATM 195 H UNK 0 -5.843 2.102 4.617 0.00 0.00 H+0 HETATM 196 H UNK 0 -5.497 4.252 0.550 0.00 0.00 H+0 HETATM 197 H UNK 0 -4.085 1.738 1.558 0.00 0.00 H+0 HETATM 198 H UNK 0 -2.118 3.134 1.895 0.00 0.00 H+0 HETATM 199 H UNK 0 -4.028 5.492 1.221 0.00 0.00 H+0 HETATM 200 H UNK 0 -2.292 5.605 1.736 0.00 0.00 H+0 HETATM 201 H UNK 0 -2.750 4.892 0.131 0.00 0.00 H+0 HETATM 202 H UNK 0 -3.021 4.354 3.781 0.00 0.00 H+0 HETATM 203 H UNK 0 -4.707 4.178 3.135 0.00 0.00 H+0 HETATM 204 H UNK 0 -3.724 2.716 3.662 0.00 0.00 H+0 HETATM 205 H UNK 0 -0.968 2.882 -0.231 0.00 0.00 H+0 HETATM 206 H UNK 0 -1.043 2.029 -3.076 0.00 0.00 H+0 HETATM 207 H UNK 0 -1.905 3.501 -2.588 0.00 0.00 H+0 HETATM 208 H UNK 0 -0.074 3.371 -2.299 0.00 0.00 H+0 CONECT 1 2 93 94 95 CONECT 2 1 3 96 97 CONECT 3 2 4 98 99 CONECT 4 3 5 100 101 CONECT 5 4 6 102 103 CONECT 6 5 7 104 105 CONECT 7 6 8 106 107 CONECT 8 7 9 108 109 CONECT 9 8 10 110 111 CONECT 10 9 11 112 113 CONECT 11 10 12 114 115 CONECT 12 11 13 116 117 CONECT 13 12 14 15 118 CONECT 14 13 119 CONECT 15 13 16 120 121 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 122 CONECT 19 18 20 24 123 CONECT 20 19 21 124 125 CONECT 21 20 22 23 126 CONECT 22 21 127 128 129 CONECT 23 21 130 131 132 CONECT 24 19 25 26 CONECT 25 24 CONECT 26 24 27 133 CONECT 27 26 28 33 134 CONECT 28 27 29 135 136 CONECT 29 28 30 137 138 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 139 CONECT 33 27 34 35 CONECT 34 33 CONECT 35 33 36 140 CONECT 36 35 37 91 141 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 142 CONECT 40 39 41 45 143 CONECT 41 40 42 43 144 CONECT 42 41 145 146 147 CONECT 43 41 44 148 149 CONECT 44 43 150 151 152 CONECT 45 40 46 47 CONECT 46 45 CONECT 47 45 48 153 CONECT 48 47 49 53 154 CONECT 49 48 50 155 156 CONECT 50 49 51 52 157 CONECT 51 50 158 159 160 CONECT 52 50 161 162 163 CONECT 53 48 54 55 CONECT 54 53 CONECT 55 53 56 164 CONECT 56 55 57 59 165 CONECT 57 56 58 166 167 CONECT 58 57 168 CONECT 59 56 60 61 CONECT 60 59 CONECT 61 59 62 169 CONECT 62 61 63 67 170 CONECT 63 62 64 171 172 CONECT 64 63 65 66 173 CONECT 65 64 174 175 176 CONECT 66 64 177 178 179 CONECT 67 62 68 69 CONECT 68 67 CONECT 69 67 70 180 CONECT 70 69 71 75 181 CONECT 71 70 72 182 183 CONECT 72 71 73 74 184 CONECT 73 72 185 186 187 CONECT 74 72 188 189 190 CONECT 75 70 76 77 CONECT 76 75 CONECT 77 75 78 191 CONECT 78 77 79 81 192 CONECT 79 78 80 193 194 CONECT 80 79 195 CONECT 81 78 82 83 CONECT 82 81 CONECT 83 81 84 196 CONECT 84 83 85 88 197 CONECT 85 84 86 87 198 CONECT 86 85 199 200 201 CONECT 87 85 202 203 204 CONECT 88 84 89 90 CONECT 89 88 CONECT 90 88 91 CONECT 91 90 92 36 205 CONECT 92 91 206 207 208 CONECT 93 1 CONECT 94 1 CONECT 95 1 CONECT 96 2 CONECT 97 2 CONECT 98 3 CONECT 99 3 CONECT 100 4 CONECT 101 4 CONECT 102 5 CONECT 103 5 CONECT 104 6 CONECT 105 6 CONECT 106 7 CONECT 107 7 CONECT 108 8 CONECT 109 8 CONECT 110 9 CONECT 111 9 CONECT 112 10 CONECT 113 10 CONECT 114 11 CONECT 115 11 CONECT 116 12 CONECT 117 12 CONECT 118 13 CONECT 119 14 CONECT 120 15 CONECT 121 15 CONECT 122 18 CONECT 123 19 CONECT 124 20 CONECT 125 20 CONECT 126 21 CONECT 127 22 CONECT 128 22 CONECT 129 22 CONECT 130 23 CONECT 131 23 CONECT 132 23 CONECT 133 26 CONECT 134 27 CONECT 135 28 CONECT 136 28 CONECT 137 29 CONECT 138 29 CONECT 139 32 CONECT 140 35 CONECT 141 36 CONECT 142 39 CONECT 143 40 CONECT 144 41 CONECT 145 42 CONECT 146 42 CONECT 147 42 CONECT 148 43 CONECT 149 43 CONECT 150 44 CONECT 151 44 CONECT 152 44 CONECT 153 47 CONECT 154 48 CONECT 155 49 CONECT 156 49 CONECT 157 50 CONECT 158 51 CONECT 159 51 CONECT 160 51 CONECT 161 52 CONECT 162 52 CONECT 163 52 CONECT 164 55 CONECT 165 56 CONECT 166 57 CONECT 167 57 CONECT 168 58 CONECT 169 61 CONECT 170 62 CONECT 171 63 CONECT 172 63 CONECT 173 64 CONECT 174 65 CONECT 175 65 CONECT 176 65 CONECT 177 66 CONECT 178 66 CONECT 179 66 CONECT 180 69 CONECT 181 70 CONECT 182 71 CONECT 183 71 CONECT 184 72 CONECT 185 73 CONECT 186 73 CONECT 187 73 CONECT 188 74 CONECT 189 74 CONECT 190 74 CONECT 191 77 CONECT 192 78 CONECT 193 79 CONECT 194 79 CONECT 195 80 CONECT 196 83 CONECT 197 84 CONECT 198 85 CONECT 199 86 CONECT 200 86 CONECT 201 86 CONECT 202 87 CONECT 203 87 CONECT 204 87 CONECT 205 91 CONECT 206 92 CONECT 207 92 CONECT 208 92 MASTER 0 0 0 0 0 0 0 0 208 0 416 0 END SMILES for NP0020759 (Orfamide H)[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[C@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] INCHI for NP0020759 (Orfamide H)InChI=1S/C65H116N10O17/c1-15-17-18-19-20-21-22-23-24-25-26-43(78)33-51(79)66-45(29-36(3)4)57(83)67-44(27-28-52(80)81)56(82)75-55-42(14)92-65(91)53(40(11)12)73-62(88)50(35-77)72-59(85)47(31-38(7)8)68-58(84)46(30-37(5)6)69-61(87)49(34-76)71-60(86)48(32-39(9)10)70-63(89)54(41(13)16-2)74-64(55)90/h36-50,53-55,76-78H,15-35H2,1-14H3,(H,66,79)(H,67,83)(H,68,84)(H,69,87)(H,70,89)(H,71,86)(H,72,85)(H,73,88)(H,74,90)(H,75,82)(H,80,81)/t41-,42-,43+,44-,45-,46+,47+,48+,49-,50-,53-,54+,55-/m1/s1 3D Structure for NP0020759 (Orfamide H) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C65H116N10O17 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1309.6960 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1308.85199 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (4R)-4-{[(3R,6R,12S,15R,18S,21S,24R,25R)-21-[(2R)-butan-2-yl]-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}-4-[(2R)-2-[(3S)-3-hydroxypentadecanamido]-4-methylpentanamido]butanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (4R)-4-{[(3R,6R,12S,15R,18S,21S,24R,25R)-21-[(2R)-butan-2-yl]-6,15-bis(hydroxymethyl)-3-isopropyl-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}-4-[(2R)-2-[(3S)-3-hydroxypentadecanamido]-4-methylpentanamido]butanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(NC1=O)C(C)CC)C(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C65H116N10O17/c1-15-17-18-19-20-21-22-23-24-25-26-43(78)33-51(79)66-45(29-36(3)4)57(83)67-44(27-28-52(80)81)56(82)75-55-42(14)92-65(91)53(40(11)12)73-62(88)50(35-77)72-59(85)47(31-38(7)8)68-58(84)46(30-37(5)6)69-61(87)49(34-76)71-60(86)48(32-39(9)10)70-63(89)54(41(13)16-2)74-64(55)90/h36-50,53-55,76-78H,15-35H2,1-14H3,(H,66,79)(H,67,83)(H,68,84)(H,69,87)(H,70,89)(H,71,86)(H,72,85)(H,73,88)(H,74,90)(H,75,82)(H,80,81) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DWMZHBRAZSJRFR-UHFFFAOYSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA024967 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 145720744 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
