Showing NP-Card for Orfamide B (NP0006857)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 03:46:34 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:55:59 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0006857 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Orfamide B | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Orfamide B is found in Pseudomonas and Pseudomonas fluorescens. Orfamide B was first documented in 2015 (PMID: 26085277). Based on a literature review very few articles have been published on Orfamide B (PMID: 27065956). | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0006857 (Orfamide B)
Mrv1652307012119073D
202202 0 0 0 0 999 V2000
19.4207 1.8542 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4475 0.3294 -0.7495 C 0 0 2 0 0 0 0 0 0 0 0 0
18.0266 -0.0753 -0.3804 C 0 0 1 0 0 0 0 0 0 0 0 0
17.8743 -1.5472 -0.2057 C 0 0 2 0 0 0 0 0 0 0 0 0
16.4752 -1.9111 0.1812 C 0 0 1 0 0 0 0 0 0 0 0 0
15.4885 -1.5572 -0.8760 C 0 0 1 0 0 0 0 0 0 0 0 0
14.0675 -1.8814 -0.4574 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6654 -1.0743 0.7704 C 0 0 1 0 0 0 0 0 0 0 0 0
13.7111 0.3812 0.4226 C 0 0 2 0 0 0 0 0 0 0 0 0
13.3627 1.3204 1.5137 C 0 0 2 0 0 0 0 0 0 0 0 0
11.9940 1.1863 2.1140 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8783 1.3751 1.1075 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0149 2.6580 0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5358 1.4231 1.8446 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4270 1.5878 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6605 1.4494 -0.3383 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1011 1.9008 1.2988 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1115 2.0275 0.3104 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5689 3.4088 0.0615 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5252 4.4403 -0.3903 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1920 4.0687 -1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5074 4.9261 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9267 1.0834 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4693 0.9495 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4163 0.4220 -0.6561 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3897 -0.4612 -0.8469 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8942 -1.9443 -0.8395 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5027 -2.1383 0.5414 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0181 -3.4770 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0451 -4.3328 -0.1316 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4736 -3.8185 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -0.4810 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 -0.1332 1.1994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9539 -0.9144 -0.5055 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2852 -1.0283 0.2603 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8872 0.2497 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5318 0.6770 1.7766 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7102 1.1597 -0.0715 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 1.1743 -0.3985 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3968 2.0206 -1.6174 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8497 1.9574 -2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4956 1.7800 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9273 1.7031 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1889 0.6825 1.5451 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4524 2.8765 1.1821 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6748 3.5742 1.2869 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0546 3.7944 2.7698 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1262 2.6076 3.6174 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5258 3.0818 5.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0050 1.4753 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7695 3.6177 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4717 4.3445 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0693 3.1205 0.2815 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6629 1.8229 0.0238 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1336 1.9805 0.4698 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.2236 2.3763 1.8098 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6507 1.5639 -1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0091 2.5736 -2.0464 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0931 0.6077 -2.3155 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3300 0.2326 -2.9590 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.5836 0.6531 -2.3179 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.8914 0.3912 -2.9620 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9576 1.0019 -1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.2517 -1.0691 -2.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2925 -1.1562 -3.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4331 -1.1361 -4.8433 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1572 -2.4198 -3.0223 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.1488 -3.3587 -2.6127 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5565 -4.2562 -1.5395 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.9756 -3.8683 -0.1998 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.1911 -2.9273 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9900 -3.6104 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7519 -3.0481 -2.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7460 -2.2887 -3.9981 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5173 -3.3178 -2.3806 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6991 -3.0309 -1.2694 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6893 -1.5726 -0.9044 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9185 -1.0509 -0.5799 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7497 -3.9546 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3874 -5.0512 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2451 -3.8400 1.1601 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8757 -3.7987 1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5725 -2.8206 2.7045 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1266 -2.8374 3.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4042 -3.1260 3.9675 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8891 -3.7165 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 -4.7527 -0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0518 -2.7161 0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1751 -2.0459 -0.3952 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5901 -1.6521 -1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4497 2.2489 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4273 2.1416 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
20.2420 2.2410 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
20.1849 -0.0324 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6589 -0.0208 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8012 0.4403 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3426 0.2933 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5874 -1.9427 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1473 -2.0312 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4639 -3.0107 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2687 -1.3661 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6107 -0.5337 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7126 -2.2328 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4150 -1.6181 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9583 -2.9670 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6148 -1.3630 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2870 -1.3072 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0427 0.5582 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7591 0.6434 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4143 2.3709 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1180 1.3259 2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8855 1.9729 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9204 0.1729 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8659 0.6305 0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3383 3.2770 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5846 2.3265 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4292 0.5578 2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9368 2.0247 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5640 1.7297 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1599 3.7564 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7079 3.3911 -0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8805 5.3430 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1231 4.9145 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2693 3.8612 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7343 3.1381 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2462 4.6767 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4825 4.4264 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6915 6.0108 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9855 0.6796 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9980 -0.3300 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0751 -2.6229 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6901 -2.0741 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7310 -1.8931 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3812 -1.4393 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2138 -4.4980 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8974 -1.1886 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1055 -1.4098 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2231 2.0782 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4427 0.1573 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2513 3.1152 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9764 1.1641 -2.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5436 1.6699 -1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1868 2.8840 -2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 0.7980 -3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4416 1.7088 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6733 2.5858 -3.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6577 3.4888 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2323 4.7254 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2555 4.4669 3.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9868 4.3936 2.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 2.1646 3.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5083 3.5732 4.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7439 3.7292 5.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7107 2.1608 5.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9569 0.6788 4.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0833 1.7287 3.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7479 0.9485 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8609 3.8806 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1923 1.0109 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5808 0.9989 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6241 2.7456 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2685 3.3557 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2482 -0.0412 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3371 0.9014 -3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6383 0.0559 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5895 1.7098 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0766 0.9097 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0469 0.2631 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9159 1.0178 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5804 1.9491 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8983 -1.6054 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8727 -1.6355 -3.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3819 -1.2008 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1407 -2.9364 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2832 -4.1545 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8843 -5.1648 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5052 -4.7979 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5007 -4.8554 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9679 -3.3412 -0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9081 -1.8922 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5972 -3.0075 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2811 -2.8053 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6200 -3.2914 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5381 -4.5683 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9434 -4.0098 -3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5889 -3.1255 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2238 -0.9521 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0438 -1.3979 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6331 -1.5350 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9585 -3.7934 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6918 -4.8239 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7784 -1.7805 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7070 -1.8213 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4734 -3.4701 2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0902 -3.3362 4.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9386 -4.0884 3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7904 -3.1489 4.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1749 -2.3279 4.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 -2.8697 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2455 -2.3496 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6952 -1.6868 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2654 -0.6233 -1.9451 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
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 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
20 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 2 0 0 0 0
23 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
29 30 2 0 0 0 0
29 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
39 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
46 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
54 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
60 65 1 0 0 0 0
65 66 2 0 0 0 0
65 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
68 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
76 79 1 0 0 0 0
79 80 2 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
83 85 1 0 0 0 0
82 86 1 0 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
89 35 1 0 0 0 0
1 91 1 0 0 0 0
1 92 1 0 0 0 0
1 93 1 0 0 0 0
2 94 1 0 0 0 0
2 95 1 0 0 0 0
3 96 1 0 0 0 0
3 97 1 0 0 0 0
4 98 1 0 0 0 0
4 99 1 0 0 0 0
5100 1 0 0 0 0
5101 1 0 0 0 0
6102 1 0 0 0 0
6103 1 0 0 0 0
7104 1 0 0 0 0
7105 1 0 0 0 0
8106 1 0 0 0 0
8107 1 0 0 0 0
9108 1 0 0 0 0
9109 1 0 0 0 0
10110 1 0 0 0 0
10111 1 0 0 0 0
11112 1 0 0 0 0
11113 1 0 0 0 0
12114 1 6 0 0 0
13115 1 0 0 0 0
14116 1 0 0 0 0
14117 1 0 0 0 0
17118 1 0 0 0 0
18119 1 6 0 0 0
19120 1 0 0 0 0
19121 1 0 0 0 0
20122 1 6 0 0 0
21123 1 0 0 0 0
21124 1 0 0 0 0
21125 1 0 0 0 0
22126 1 0 0 0 0
22127 1 0 0 0 0
22128 1 0 0 0 0
25129 1 0 0 0 0
26130 1 6 0 0 0
27131 1 0 0 0 0
27132 1 0 0 0 0
28133 1 0 0 0 0
28134 1 0 0 0 0
31135 1 0 0 0 0
34136 1 0 0 0 0
35137 1 1 0 0 0
38138 1 0 0 0 0
39139 1 6 0 0 0
40140 1 1 0 0 0
41141 1 0 0 0 0
41142 1 0 0 0 0
41143 1 0 0 0 0
42144 1 0 0 0 0
42145 1 0 0 0 0
42146 1 0 0 0 0
45147 1 0 0 0 0
46148 1 6 0 0 0
47149 1 0 0 0 0
47150 1 0 0 0 0
48151 1 1 0 0 0
49152 1 0 0 0 0
49153 1 0 0 0 0
49154 1 0 0 0 0
50155 1 0 0 0 0
50156 1 0 0 0 0
50157 1 0 0 0 0
53158 1 0 0 0 0
54159 1 1 0 0 0
55160 1 0 0 0 0
55161 1 0 0 0 0
56162 1 0 0 0 0
59163 1 0 0 0 0
60164 1 6 0 0 0
61165 1 0 0 0 0
61166 1 0 0 0 0
62167 1 6 0 0 0
63168 1 0 0 0 0
63169 1 0 0 0 0
63170 1 0 0 0 0
64171 1 0 0 0 0
64172 1 0 0 0 0
64173 1 0 0 0 0
67174 1 0 0 0 0
68175 1 6 0 0 0
69176 1 0 0 0 0
69177 1 0 0 0 0
70178 1 1 0 0 0
71179 1 0 0 0 0
71180 1 0 0 0 0
71181 1 0 0 0 0
72182 1 0 0 0 0
72183 1 0 0 0 0
72184 1 0 0 0 0
75185 1 0 0 0 0
76186 1 6 0 0 0
77187 1 0 0 0 0
77188 1 0 0 0 0
78189 1 0 0 0 0
81190 1 0 0 0 0
82191 1 1 0 0 0
83192 1 6 0 0 0
84193 1 0 0 0 0
84194 1 0 0 0 0
84195 1 0 0 0 0
85196 1 0 0 0 0
85197 1 0 0 0 0
85198 1 0 0 0 0
89199 1 6 0 0 0
90200 1 0 0 0 0
90201 1 0 0 0 0
90202 1 0 0 0 0
M END
3D MOL for NP0006857 (Orfamide B)
RDKit 3D
202202 0 0 0 0 0 0 0 0999 V2000
19.4207 1.8542 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4475 0.3294 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0266 -0.0753 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8743 -1.5472 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4752 -1.9111 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4885 -1.5572 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0675 -1.8814 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6654 -1.0743 0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7111 0.3812 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3627 1.3204 1.5137 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9940 1.1863 2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8783 1.3751 1.1075 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0149 2.6580 0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5358 1.4231 1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4270 1.5878 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6605 1.4494 -0.3383 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1011 1.9008 1.2988 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1115 2.0275 0.3104 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5689 3.4088 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5252 4.4403 -0.3903 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1920 4.0687 -1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5074 4.9261 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9267 1.0834 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4693 0.9495 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4163 0.4220 -0.6561 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3897 -0.4612 -0.8469 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8942 -1.9443 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5027 -2.1383 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0181 -3.4770 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0451 -4.3328 -0.1316 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4736 -3.8185 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -0.4810 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 -0.1332 1.1994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9539 -0.9144 -0.5055 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2852 -1.0283 0.2603 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8872 0.2497 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5318 0.6770 1.7766 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7102 1.1597 -0.0715 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 1.1743 -0.3985 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3968 2.0206 -1.6174 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8497 1.9574 -2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4956 1.7800 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9273 1.7031 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1889 0.6825 1.5451 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4524 2.8765 1.1821 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6748 3.5742 1.2869 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0546 3.7944 2.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 2.6076 3.6174 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5258 3.0818 5.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0050 1.4753 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7695 3.6177 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4717 4.3445 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0693 3.1205 0.2815 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6629 1.8229 0.0238 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1336 1.9805 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2236 2.3763 1.8098 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6507 1.5639 -1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0091 2.5736 -2.0464 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0931 0.6077 -2.3155 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3300 0.2326 -2.9590 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.5836 0.6531 -2.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8914 0.3912 -2.9620 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9576 1.0019 -1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.2517 -1.0691 -2.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2925 -1.1562 -3.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4331 -1.1361 -4.8433 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1572 -2.4198 -3.0223 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.1488 -3.3587 -2.6127 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5565 -4.2562 -1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9756 -3.8683 -0.1998 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.1911 -2.9273 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9900 -3.6104 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7519 -3.0481 -2.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7460 -2.2887 -3.9981 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5173 -3.3178 -2.3806 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6991 -3.0309 -1.2694 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6893 -1.5726 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9185 -1.0509 -0.5799 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7497 -3.9546 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3874 -5.0512 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2451 -3.8400 1.1601 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8757 -3.7987 1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5725 -2.8206 2.7045 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1266 -2.8374 3.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4042 -3.1260 3.9675 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8891 -3.7165 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 -4.7527 -0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0518 -2.7161 0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1751 -2.0459 -0.3952 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5901 -1.6521 -1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4497 2.2489 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4273 2.1416 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
20.2420 2.2410 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
20.1849 -0.0324 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6589 -0.0208 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8012 0.4403 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3426 0.2933 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5874 -1.9427 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1473 -2.0312 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4639 -3.0107 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2687 -1.3661 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6107 -0.5337 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7126 -2.2328 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4150 -1.6181 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9583 -2.9670 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6148 -1.3630 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2870 -1.3072 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0427 0.5582 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7591 0.6434 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4143 2.3709 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1180 1.3259 2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8855 1.9729 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9204 0.1729 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8659 0.6305 0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3383 3.2770 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5846 2.3265 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4292 0.5578 2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9368 2.0247 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5640 1.7297 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1599 3.7564 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7079 3.3911 -0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8805 5.3430 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1231 4.9145 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2693 3.8612 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7343 3.1381 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2462 4.6767 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4825 4.4264 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6915 6.0108 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9855 0.6796 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9980 -0.3300 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0751 -2.6229 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6901 -2.0741 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7310 -1.8931 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3812 -1.4393 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2138 -4.4980 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8974 -1.1886 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1055 -1.4098 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2231 2.0782 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4427 0.1573 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2513 3.1152 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9764 1.1641 -2.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5436 1.6699 -1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1868 2.8840 -2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 0.7980 -3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4416 1.7088 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6733 2.5858 -3.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6577 3.4888 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2323 4.7254 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2555 4.4669 3.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9868 4.3936 2.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 2.1646 3.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5083 3.5732 4.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7439 3.7292 5.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7107 2.1608 5.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9569 0.6788 4.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0833 1.7287 3.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7479 0.9485 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8609 3.8806 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1923 1.0109 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5808 0.9989 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6241 2.7456 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2685 3.3557 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2482 -0.0412 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3371 0.9014 -3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6383 0.0559 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5895 1.7098 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0766 0.9097 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0469 0.2631 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9159 1.0178 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5804 1.9491 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8983 -1.6054 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8727 -1.6355 -3.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3819 -1.2008 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1407 -2.9364 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2832 -4.1545 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8843 -5.1648 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5052 -4.7979 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5007 -4.8554 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9679 -3.3412 -0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9081 -1.8922 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5972 -3.0075 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2811 -2.8053 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6200 -3.2914 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5381 -4.5683 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9434 -4.0098 -3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5889 -3.1255 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2238 -0.9521 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0438 -1.3979 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6331 -1.5350 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9585 -3.7934 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6918 -4.8239 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7784 -1.7805 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7070 -1.8213 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4734 -3.4701 2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0902 -3.3362 4.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9386 -4.0884 3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7904 -3.1489 4.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1749 -2.3279 4.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 -2.8697 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2455 -2.3496 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6952 -1.6868 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2654 -0.6233 -1.9451 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
12 14 1 0
14 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
20 22 1 0
18 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
26 32 1 0
32 33 2 0
32 34 1 0
34 35 1 0
35 36 1 0
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
40 42 1 0
39 43 1 0
43 44 2 0
43 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
48 50 1 0
46 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
54 57 1 0
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
62 64 1 0
60 65 1 0
65 66 2 0
65 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
68 73 1 0
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
77 78 1 0
76 79 1 0
79 80 2 0
79 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
83 85 1 0
82 86 1 0
86 87 2 0
86 88 1 0
88 89 1 0
89 90 1 0
89 35 1 0
1 91 1 0
1 92 1 0
1 93 1 0
2 94 1 0
2 95 1 0
3 96 1 0
3 97 1 0
4 98 1 0
4 99 1 0
5100 1 0
5101 1 0
6102 1 0
6103 1 0
7104 1 0
7105 1 0
8106 1 0
8107 1 0
9108 1 0
9109 1 0
10110 1 0
10111 1 0
11112 1 0
11113 1 0
12114 1 6
13115 1 0
14116 1 0
14117 1 0
17118 1 0
18119 1 6
19120 1 0
19121 1 0
20122 1 6
21123 1 0
21124 1 0
21125 1 0
22126 1 0
22127 1 0
22128 1 0
25129 1 0
26130 1 6
27131 1 0
27132 1 0
28133 1 0
28134 1 0
31135 1 0
34136 1 0
35137 1 1
38138 1 0
39139 1 6
40140 1 1
41141 1 0
41142 1 0
41143 1 0
42144 1 0
42145 1 0
42146 1 0
45147 1 0
46148 1 6
47149 1 0
47150 1 0
48151 1 1
49152 1 0
49153 1 0
49154 1 0
50155 1 0
50156 1 0
50157 1 0
53158 1 0
54159 1 1
55160 1 0
55161 1 0
56162 1 0
59163 1 0
60164 1 6
61165 1 0
61166 1 0
62167 1 6
63168 1 0
63169 1 0
63170 1 0
64171 1 0
64172 1 0
64173 1 0
67174 1 0
68175 1 6
69176 1 0
69177 1 0
70178 1 1
71179 1 0
71180 1 0
71181 1 0
72182 1 0
72183 1 0
72184 1 0
75185 1 0
76186 1 6
77187 1 0
77188 1 0
78189 1 0
81190 1 0
82191 1 1
83192 1 6
84193 1 0
84194 1 0
84195 1 0
85196 1 0
85197 1 0
85198 1 0
89199 1 6
90200 1 0
90201 1 0
90202 1 0
M END
3D SDF for NP0006857 (Orfamide B)
Mrv1652307012119073D
202202 0 0 0 0 999 V2000
19.4207 1.8542 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4475 0.3294 -0.7495 C 0 0 2 0 0 0 0 0 0 0 0 0
18.0266 -0.0753 -0.3804 C 0 0 1 0 0 0 0 0 0 0 0 0
17.8743 -1.5472 -0.2057 C 0 0 2 0 0 0 0 0 0 0 0 0
16.4752 -1.9111 0.1812 C 0 0 1 0 0 0 0 0 0 0 0 0
15.4885 -1.5572 -0.8760 C 0 0 1 0 0 0 0 0 0 0 0 0
14.0675 -1.8814 -0.4574 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6654 -1.0743 0.7704 C 0 0 1 0 0 0 0 0 0 0 0 0
13.7111 0.3812 0.4226 C 0 0 2 0 0 0 0 0 0 0 0 0
13.3627 1.3204 1.5137 C 0 0 2 0 0 0 0 0 0 0 0 0
11.9940 1.1863 2.1140 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8783 1.3751 1.1075 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0149 2.6580 0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5358 1.4231 1.8446 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4270 1.5878 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6605 1.4494 -0.3383 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1011 1.9008 1.2988 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1115 2.0275 0.3104 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5689 3.4088 0.0615 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5252 4.4403 -0.3903 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1920 4.0687 -1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5074 4.9261 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9267 1.0834 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4693 0.9495 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4163 0.4220 -0.6561 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3897 -0.4612 -0.8469 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8942 -1.9443 -0.8395 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5027 -2.1383 0.5414 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0181 -3.4770 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0451 -4.3328 -0.1316 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4736 -3.8185 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -0.4810 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 -0.1332 1.1994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9539 -0.9144 -0.5055 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2852 -1.0283 0.2603 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8872 0.2497 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5318 0.6770 1.7766 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7102 1.1597 -0.0715 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 1.1743 -0.3985 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3968 2.0206 -1.6174 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8497 1.9574 -2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4956 1.7800 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9273 1.7031 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1889 0.6825 1.5451 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4524 2.8765 1.1821 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6748 3.5742 1.2869 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0546 3.7944 2.7698 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1262 2.6076 3.6174 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5258 3.0818 5.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0050 1.4753 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7695 3.6177 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4717 4.3445 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0693 3.1205 0.2815 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6629 1.8229 0.0238 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1336 1.9805 0.4698 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.2236 2.3763 1.8098 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6507 1.5639 -1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0091 2.5736 -2.0464 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0931 0.6077 -2.3155 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3300 0.2326 -2.9590 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.5836 0.6531 -2.3179 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.8914 0.3912 -2.9620 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9576 1.0019 -1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.2517 -1.0691 -2.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2925 -1.1562 -3.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4331 -1.1361 -4.8433 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1572 -2.4198 -3.0223 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.1488 -3.3587 -2.6127 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5565 -4.2562 -1.5395 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.9756 -3.8683 -0.1998 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.1911 -2.9273 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9900 -3.6104 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7519 -3.0481 -2.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7460 -2.2887 -3.9981 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5173 -3.3178 -2.3806 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6991 -3.0309 -1.2694 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6893 -1.5726 -0.9044 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9185 -1.0509 -0.5799 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7497 -3.9546 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3874 -5.0512 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2451 -3.8400 1.1601 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8757 -3.7987 1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5725 -2.8206 2.7045 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1266 -2.8374 3.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4042 -3.1260 3.9675 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8891 -3.7165 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 -4.7527 -0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0518 -2.7161 0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1751 -2.0459 -0.3952 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5901 -1.6521 -1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4497 2.2489 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4273 2.1416 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
20.2420 2.2410 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
20.1849 -0.0324 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6589 -0.0208 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8012 0.4403 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3426 0.2933 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5874 -1.9427 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1473 -2.0312 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4639 -3.0107 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2687 -1.3661 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6107 -0.5337 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7126 -2.2328 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4150 -1.6181 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9583 -2.9670 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6148 -1.3630 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2870 -1.3072 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0427 0.5582 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7591 0.6434 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4143 2.3709 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1180 1.3259 2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8855 1.9729 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9204 0.1729 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8659 0.6305 0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3383 3.2770 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5846 2.3265 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4292 0.5578 2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9368 2.0247 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5640 1.7297 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1599 3.7564 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7079 3.3911 -0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8805 5.3430 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1231 4.9145 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2693 3.8612 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7343 3.1381 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2462 4.6767 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4825 4.4264 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6915 6.0108 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9855 0.6796 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9980 -0.3300 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0751 -2.6229 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6901 -2.0741 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7310 -1.8931 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3812 -1.4393 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2138 -4.4980 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8974 -1.1886 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1055 -1.4098 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2231 2.0782 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4427 0.1573 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2513 3.1152 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9764 1.1641 -2.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5436 1.6699 -1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1868 2.8840 -2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 0.7980 -3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4416 1.7088 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6733 2.5858 -3.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6577 3.4888 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2323 4.7254 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2555 4.4669 3.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9868 4.3936 2.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 2.1646 3.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5083 3.5732 4.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7439 3.7292 5.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7107 2.1608 5.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9569 0.6788 4.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0833 1.7287 3.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7479 0.9485 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8609 3.8806 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1923 1.0109 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5808 0.9989 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6241 2.7456 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2685 3.3557 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2482 -0.0412 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3371 0.9014 -3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6383 0.0559 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5895 1.7098 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0766 0.9097 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0469 0.2631 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9159 1.0178 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5804 1.9491 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8983 -1.6054 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8727 -1.6355 -3.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3819 -1.2008 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1407 -2.9364 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2832 -4.1545 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8843 -5.1648 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5052 -4.7979 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5007 -4.8554 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9679 -3.3412 -0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9081 -1.8922 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5972 -3.0075 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2811 -2.8053 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6200 -3.2914 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5381 -4.5683 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9434 -4.0098 -3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5889 -3.1255 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2238 -0.9521 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0438 -1.3979 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6331 -1.5350 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9585 -3.7934 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6918 -4.8239 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7784 -1.7805 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7070 -1.8213 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4734 -3.4701 2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0902 -3.3362 4.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9386 -4.0884 3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7904 -3.1489 4.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1749 -2.3279 4.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 -2.8697 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2455 -2.3496 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6952 -1.6868 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2654 -0.6233 -1.9451 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
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 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
20 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 2 0 0 0 0
23 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
29 30 2 0 0 0 0
29 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
39 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
46 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
54 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
60 65 1 0 0 0 0
65 66 2 0 0 0 0
65 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
68 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
76 79 1 0 0 0 0
79 80 2 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
83 85 1 0 0 0 0
82 86 1 0 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
89 35 1 0 0 0 0
1 91 1 0 0 0 0
1 92 1 0 0 0 0
1 93 1 0 0 0 0
2 94 1 0 0 0 0
2 95 1 0 0 0 0
3 96 1 0 0 0 0
3 97 1 0 0 0 0
4 98 1 0 0 0 0
4 99 1 0 0 0 0
5100 1 0 0 0 0
5101 1 0 0 0 0
6102 1 0 0 0 0
6103 1 0 0 0 0
7104 1 0 0 0 0
7105 1 0 0 0 0
8106 1 0 0 0 0
8107 1 0 0 0 0
9108 1 0 0 0 0
9109 1 0 0 0 0
10110 1 0 0 0 0
10111 1 0 0 0 0
11112 1 0 0 0 0
11113 1 0 0 0 0
12114 1 6 0 0 0
13115 1 0 0 0 0
14116 1 0 0 0 0
14117 1 0 0 0 0
17118 1 0 0 0 0
18119 1 6 0 0 0
19120 1 0 0 0 0
19121 1 0 0 0 0
20122 1 6 0 0 0
21123 1 0 0 0 0
21124 1 0 0 0 0
21125 1 0 0 0 0
22126 1 0 0 0 0
22127 1 0 0 0 0
22128 1 0 0 0 0
25129 1 0 0 0 0
26130 1 6 0 0 0
27131 1 0 0 0 0
27132 1 0 0 0 0
28133 1 0 0 0 0
28134 1 0 0 0 0
31135 1 0 0 0 0
34136 1 0 0 0 0
35137 1 1 0 0 0
38138 1 0 0 0 0
39139 1 6 0 0 0
40140 1 1 0 0 0
41141 1 0 0 0 0
41142 1 0 0 0 0
41143 1 0 0 0 0
42144 1 0 0 0 0
42145 1 0 0 0 0
42146 1 0 0 0 0
45147 1 0 0 0 0
46148 1 6 0 0 0
47149 1 0 0 0 0
47150 1 0 0 0 0
48151 1 1 0 0 0
49152 1 0 0 0 0
49153 1 0 0 0 0
49154 1 0 0 0 0
50155 1 0 0 0 0
50156 1 0 0 0 0
50157 1 0 0 0 0
53158 1 0 0 0 0
54159 1 1 0 0 0
55160 1 0 0 0 0
55161 1 0 0 0 0
56162 1 0 0 0 0
59163 1 0 0 0 0
60164 1 6 0 0 0
61165 1 0 0 0 0
61166 1 0 0 0 0
62167 1 6 0 0 0
63168 1 0 0 0 0
63169 1 0 0 0 0
63170 1 0 0 0 0
64171 1 0 0 0 0
64172 1 0 0 0 0
64173 1 0 0 0 0
67174 1 0 0 0 0
68175 1 6 0 0 0
69176 1 0 0 0 0
69177 1 0 0 0 0
70178 1 1 0 0 0
71179 1 0 0 0 0
71180 1 0 0 0 0
71181 1 0 0 0 0
72182 1 0 0 0 0
72183 1 0 0 0 0
72184 1 0 0 0 0
75185 1 0 0 0 0
76186 1 6 0 0 0
77187 1 0 0 0 0
77188 1 0 0 0 0
78189 1 0 0 0 0
81190 1 0 0 0 0
82191 1 1 0 0 0
83192 1 6 0 0 0
84193 1 0 0 0 0
84194 1 0 0 0 0
84195 1 0 0 0 0
85196 1 0 0 0 0
85197 1 0 0 0 0
85198 1 0 0 0 0
89199 1 6 0 0 0
90200 1 0 0 0 0
90201 1 0 0 0 0
90202 1 0 0 0 0
M END
> <DATABASE_ID>
NP0006857
> <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])[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])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C63H112N10O17/c1-15-16-17-18-19-20-21-22-23-24-41(76)31-49(77)64-43(27-34(2)3)55(81)65-42(25-26-50(78)79)54(80)73-53-40(14)90-63(89)52(39(12)13)72-60(86)48(33-75)70-57(83)45(29-36(6)7)66-56(82)44(28-35(4)5)67-59(85)47(32-74)69-58(84)46(30-37(8)9)68-61(87)51(38(10)11)71-62(53)88/h34-48,51-53,74-76H,15-33H2,1-14H3,(H,64,77)(H,65,81)(H,66,82)(H,67,85)(H,68,87)(H,69,84)(H,70,83)(H,71,88)(H,72,86)(H,73,80)(H,78,79)/t40-,41-,42-,43+,44+,45+,46+,47-,48-,51+,52+,53+/m0/s1
> <INCHI_KEY>
FPMIEPCWEZBKGP-UHFFFAOYSA-N
> <FORMULA>
C63H112N10O17
> <MOLECULAR_WEIGHT>
1281.642
> <EXACT_MASS>
1280.820692186
> <JCHEM_ACCEPTOR_COUNT>
16
> <JCHEM_ATOM_COUNT>
202
> <JCHEM_AVERAGE_POLARIZABILITY>
141.42508939657614
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
14
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(4S)-4-{[(3R,6S,12R,15S,21R,24R,25S)-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3,21-bis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}-4-[(2R)-2-[(3S)-3-hydroxytetradecanamido]-4-methylpentanamido]butanoic acid
> <ALOGPS_LOGP>
2.51
> <JCHEM_LOGP>
3.150041019666669
> <ALOGPS_LOGS>
-4.99
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.225517654207918
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9006051264698542
> <JCHEM_POLAR_SURFACE_AREA>
415.2899999999999
> <JCHEM_REFRACTIVITY>
331.4048000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
32
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.30e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(4S)-4-{[(3R,6S,12R,15S,21R,24R,25S)-6,15-bis(hydroxymethyl)-3,21-diisopropyl-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-hydroxytetradecanamido]-4-methylpentanamido]butanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0006857 (Orfamide B)
RDKit 3D
202202 0 0 0 0 0 0 0 0999 V2000
19.4207 1.8542 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4475 0.3294 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0266 -0.0753 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8743 -1.5472 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4752 -1.9111 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4885 -1.5572 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0675 -1.8814 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6654 -1.0743 0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7111 0.3812 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3627 1.3204 1.5137 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9940 1.1863 2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8783 1.3751 1.1075 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0149 2.6580 0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5358 1.4231 1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4270 1.5878 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6605 1.4494 -0.3383 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1011 1.9008 1.2988 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1115 2.0275 0.3104 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5689 3.4088 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5252 4.4403 -0.3903 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1920 4.0687 -1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5074 4.9261 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9267 1.0834 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4693 0.9495 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4163 0.4220 -0.6561 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3897 -0.4612 -0.8469 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8942 -1.9443 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5027 -2.1383 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0181 -3.4770 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0451 -4.3328 -0.1316 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4736 -3.8185 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -0.4810 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 -0.1332 1.1994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9539 -0.9144 -0.5055 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2852 -1.0283 0.2603 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8872 0.2497 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5318 0.6770 1.7766 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7102 1.1597 -0.0715 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 1.1743 -0.3985 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3968 2.0206 -1.6174 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8497 1.9574 -2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4956 1.7800 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9273 1.7031 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1889 0.6825 1.5451 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4524 2.8765 1.1821 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6748 3.5742 1.2869 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0546 3.7944 2.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 2.6076 3.6174 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5258 3.0818 5.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0050 1.4753 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7695 3.6177 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4717 4.3445 -0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0693 3.1205 0.2815 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6629 1.8229 0.0238 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1336 1.9805 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2236 2.3763 1.8098 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6507 1.5639 -1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0091 2.5736 -2.0464 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0931 0.6077 -2.3155 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3300 0.2326 -2.9590 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.5836 0.6531 -2.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8914 0.3912 -2.9620 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9576 1.0019 -1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.2517 -1.0691 -2.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2925 -1.1562 -3.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4331 -1.1361 -4.8433 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1572 -2.4198 -3.0223 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.1488 -3.3587 -2.6127 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5565 -4.2562 -1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9756 -3.8683 -0.1998 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.1911 -2.9273 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9900 -3.6104 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7519 -3.0481 -2.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7460 -2.2887 -3.9981 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5173 -3.3178 -2.3806 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6991 -3.0309 -1.2694 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6893 -1.5726 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9185 -1.0509 -0.5799 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7497 -3.9546 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3874 -5.0512 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2451 -3.8400 1.1601 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8757 -3.7987 1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5725 -2.8206 2.7045 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1266 -2.8374 3.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4042 -3.1260 3.9675 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8891 -3.7165 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 -4.7527 -0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0518 -2.7161 0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1751 -2.0459 -0.3952 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5901 -1.6521 -1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4497 2.2489 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4273 2.1416 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
20.2420 2.2410 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
20.1849 -0.0324 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
19.6589 -0.0208 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8012 0.4403 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3426 0.2933 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5874 -1.9427 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1473 -2.0312 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4639 -3.0107 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2687 -1.3661 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6107 -0.5337 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7126 -2.2328 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4150 -1.6181 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9583 -2.9670 -0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6148 -1.3630 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2870 -1.3072 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0427 0.5582 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7591 0.6434 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4143 2.3709 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1180 1.3259 2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8855 1.9729 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9204 0.1729 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8659 0.6305 0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3383 3.2770 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5846 2.3265 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4292 0.5578 2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9368 2.0247 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5640 1.7297 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1599 3.7564 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7079 3.3911 -0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8805 5.3430 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1231 4.9145 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2693 3.8612 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7343 3.1381 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2462 4.6767 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4825 4.4264 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6915 6.0108 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9855 0.6796 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9980 -0.3300 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0751 -2.6229 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6901 -2.0741 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7310 -1.8931 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3812 -1.4393 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2138 -4.4980 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8974 -1.1886 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1055 -1.4098 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2231 2.0782 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4427 0.1573 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2513 3.1152 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9764 1.1641 -2.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5436 1.6699 -1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1868 2.8840 -2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 0.7980 -3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4416 1.7088 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6733 2.5858 -3.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6577 3.4888 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2323 4.7254 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2555 4.4669 3.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9868 4.3936 2.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 2.1646 3.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5083 3.5732 4.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7439 3.7292 5.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7107 2.1608 5.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9569 0.6788 4.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0833 1.7287 3.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7479 0.9485 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8609 3.8806 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1923 1.0109 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5808 0.9989 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6241 2.7456 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2685 3.3557 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2482 -0.0412 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3371 0.9014 -3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6383 0.0559 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5895 1.7098 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0766 0.9097 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0469 0.2631 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9159 1.0178 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5804 1.9491 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8983 -1.6054 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8727 -1.6355 -3.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3819 -1.2008 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1407 -2.9364 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2832 -4.1545 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8843 -5.1648 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5052 -4.7979 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5007 -4.8554 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9679 -3.3412 -0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9081 -1.8922 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5972 -3.0075 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2811 -2.8053 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6200 -3.2914 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5381 -4.5683 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9434 -4.0098 -3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5889 -3.1255 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2238 -0.9521 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0438 -1.3979 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6331 -1.5350 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9585 -3.7934 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6918 -4.8239 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7784 -1.7805 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7070 -1.8213 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4734 -3.4701 2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0902 -3.3362 4.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9386 -4.0884 3.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7904 -3.1489 4.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1749 -2.3279 4.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 -2.8697 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2455 -2.3496 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6952 -1.6868 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2654 -0.6233 -1.9451 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
12 14 1 0
14 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
20 22 1 0
18 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
26 32 1 0
32 33 2 0
32 34 1 0
34 35 1 0
35 36 1 0
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
40 42 1 0
39 43 1 0
43 44 2 0
43 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
48 50 1 0
46 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
54 57 1 0
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
62 64 1 0
60 65 1 0
65 66 2 0
65 67 1 0
67 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
68 73 1 0
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
77 78 1 0
76 79 1 0
79 80 2 0
79 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
83 85 1 0
82 86 1 0
86 87 2 0
86 88 1 0
88 89 1 0
89 90 1 0
89 35 1 0
1 91 1 0
1 92 1 0
1 93 1 0
2 94 1 0
2 95 1 0
3 96 1 0
3 97 1 0
4 98 1 0
4 99 1 0
5100 1 0
5101 1 0
6102 1 0
6103 1 0
7104 1 0
7105 1 0
8106 1 0
8107 1 0
9108 1 0
9109 1 0
10110 1 0
10111 1 0
11112 1 0
11113 1 0
12114 1 6
13115 1 0
14116 1 0
14117 1 0
17118 1 0
18119 1 6
19120 1 0
19121 1 0
20122 1 6
21123 1 0
21124 1 0
21125 1 0
22126 1 0
22127 1 0
22128 1 0
25129 1 0
26130 1 6
27131 1 0
27132 1 0
28133 1 0
28134 1 0
31135 1 0
34136 1 0
35137 1 1
38138 1 0
39139 1 6
40140 1 1
41141 1 0
41142 1 0
41143 1 0
42144 1 0
42145 1 0
42146 1 0
45147 1 0
46148 1 6
47149 1 0
47150 1 0
48151 1 1
49152 1 0
49153 1 0
49154 1 0
50155 1 0
50156 1 0
50157 1 0
53158 1 0
54159 1 1
55160 1 0
55161 1 0
56162 1 0
59163 1 0
60164 1 6
61165 1 0
61166 1 0
62167 1 6
63168 1 0
63169 1 0
63170 1 0
64171 1 0
64172 1 0
64173 1 0
67174 1 0
68175 1 6
69176 1 0
69177 1 0
70178 1 1
71179 1 0
71180 1 0
71181 1 0
72182 1 0
72183 1 0
72184 1 0
75185 1 0
76186 1 6
77187 1 0
77188 1 0
78189 1 0
81190 1 0
82191 1 1
83192 1 6
84193 1 0
84194 1 0
84195 1 0
85196 1 0
85197 1 0
85198 1 0
89199 1 6
90200 1 0
90201 1 0
90202 1 0
M END
PDB for NP0006857 (Orfamide B)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 19.421 1.854 -0.844 0.00 0.00 C+0 HETATM 2 C UNK 0 19.448 0.329 -0.750 0.00 0.00 C+0 HETATM 3 C UNK 0 18.027 -0.075 -0.380 0.00 0.00 C+0 HETATM 4 C UNK 0 17.874 -1.547 -0.206 0.00 0.00 C+0 HETATM 5 C UNK 0 16.475 -1.911 0.181 0.00 0.00 C+0 HETATM 6 C UNK 0 15.489 -1.557 -0.876 0.00 0.00 C+0 HETATM 7 C UNK 0 14.068 -1.881 -0.457 0.00 0.00 C+0 HETATM 8 C UNK 0 13.665 -1.074 0.770 0.00 0.00 C+0 HETATM 9 C UNK 0 13.711 0.381 0.423 0.00 0.00 C+0 HETATM 10 C UNK 0 13.363 1.320 1.514 0.00 0.00 C+0 HETATM 11 C UNK 0 11.994 1.186 2.114 0.00 0.00 C+0 HETATM 12 C UNK 0 10.878 1.375 1.107 0.00 0.00 C+0 HETATM 13 O UNK 0 11.015 2.658 0.531 0.00 0.00 O+0 HETATM 14 C UNK 0 9.536 1.423 1.845 0.00 0.00 C+0 HETATM 15 C UNK 0 8.427 1.588 0.883 0.00 0.00 C+0 HETATM 16 O UNK 0 8.661 1.449 -0.338 0.00 0.00 O+0 HETATM 17 N UNK 0 7.101 1.901 1.299 0.00 0.00 N+0 HETATM 18 C UNK 0 6.112 2.027 0.310 0.00 0.00 C+0 HETATM 19 C UNK 0 5.569 3.409 0.062 0.00 0.00 C+0 HETATM 20 C UNK 0 6.525 4.440 -0.390 0.00 0.00 C+0 HETATM 21 C UNK 0 7.192 4.069 -1.719 0.00 0.00 C+0 HETATM 22 C UNK 0 7.507 4.926 0.628 0.00 0.00 C+0 HETATM 23 C UNK 0 4.927 1.083 0.452 0.00 0.00 C+0 HETATM 24 O UNK 0 4.469 0.950 1.593 0.00 0.00 O+0 HETATM 25 N UNK 0 4.416 0.422 -0.656 0.00 0.00 N+0 HETATM 26 C UNK 0 3.390 -0.461 -0.847 0.00 0.00 C+0 HETATM 27 C UNK 0 3.894 -1.944 -0.840 0.00 0.00 C+0 HETATM 28 C UNK 0 4.503 -2.138 0.541 0.00 0.00 C+0 HETATM 29 C UNK 0 5.018 -3.477 0.807 0.00 0.00 C+0 HETATM 30 O UNK 0 5.045 -4.333 -0.132 0.00 0.00 O+0 HETATM 31 O UNK 0 5.474 -3.818 2.066 0.00 0.00 O+0 HETATM 32 C UNK 0 2.179 -0.481 0.024 0.00 0.00 C+0 HETATM 33 O UNK 0 2.224 -0.133 1.199 0.00 0.00 O+0 HETATM 34 N UNK 0 0.954 -0.914 -0.505 0.00 0.00 N+0 HETATM 35 C UNK 0 -0.285 -1.028 0.260 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.887 0.250 0.544 0.00 0.00 C+0 HETATM 37 O UNK 0 -0.532 0.677 1.777 0.00 0.00 O+0 HETATM 38 N UNK 0 -1.710 1.160 -0.072 0.00 0.00 N+0 HETATM 39 C UNK 0 -3.124 1.174 -0.399 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.397 2.021 -1.617 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.850 1.957 -2.032 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.496 1.780 -2.778 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.927 1.703 0.734 0.00 0.00 C+0 HETATM 44 O UNK 0 -4.189 0.683 1.545 0.00 0.00 O+0 HETATM 45 N UNK 0 -4.452 2.877 1.182 0.00 0.00 N+0 HETATM 46 C UNK 0 -5.675 3.574 1.287 0.00 0.00 C+0 HETATM 47 C UNK 0 -6.055 3.794 2.770 0.00 0.00 C+0 HETATM 48 C UNK 0 -6.126 2.608 3.617 0.00 0.00 C+0 HETATM 49 C UNK 0 -6.526 3.082 5.033 0.00 0.00 C+0 HETATM 50 C UNK 0 -7.005 1.475 3.268 0.00 0.00 C+0 HETATM 51 C UNK 0 -6.769 3.618 0.366 0.00 0.00 C+0 HETATM 52 O UNK 0 -6.472 4.345 -0.718 0.00 0.00 O+0 HETATM 53 N UNK 0 -8.069 3.120 0.282 0.00 0.00 N+0 HETATM 54 C UNK 0 -8.663 1.823 0.024 0.00 0.00 C+0 HETATM 55 C UNK 0 -10.134 1.980 0.470 0.00 0.00 C+0 HETATM 56 O UNK 0 -10.224 2.376 1.810 0.00 0.00 O+0 HETATM 57 C UNK 0 -8.651 1.564 -1.437 0.00 0.00 C+0 HETATM 58 O UNK 0 -8.009 2.574 -2.046 0.00 0.00 O+0 HETATM 59 N UNK 0 -9.093 0.608 -2.316 0.00 0.00 N+0 HETATM 60 C UNK 0 -10.330 0.233 -2.959 0.00 0.00 C+0 HETATM 61 C UNK 0 -11.584 0.653 -2.318 0.00 0.00 C+0 HETATM 62 C UNK 0 -12.891 0.391 -2.962 0.00 0.00 C+0 HETATM 63 C UNK 0 -13.958 1.002 -1.996 0.00 0.00 C+0 HETATM 64 C UNK 0 -13.252 -1.069 -2.981 0.00 0.00 C+0 HETATM 65 C UNK 0 -10.293 -1.156 -3.520 0.00 0.00 C+0 HETATM 66 O UNK 0 -10.433 -1.136 -4.843 0.00 0.00 O+0 HETATM 67 N UNK 0 -10.157 -2.420 -3.022 0.00 0.00 N+0 HETATM 68 C UNK 0 -9.149 -3.359 -2.613 0.00 0.00 C+0 HETATM 69 C UNK 0 -9.556 -4.256 -1.540 0.00 0.00 C+0 HETATM 70 C UNK 0 -9.976 -3.868 -0.200 0.00 0.00 C+0 HETATM 71 C UNK 0 -11.191 -2.927 -0.123 0.00 0.00 C+0 HETATM 72 C UNK 0 -8.990 -3.610 0.871 0.00 0.00 C+0 HETATM 73 C UNK 0 -7.752 -3.048 -2.903 0.00 0.00 C+0 HETATM 74 O UNK 0 -7.746 -2.289 -3.998 0.00 0.00 O+0 HETATM 75 N UNK 0 -6.517 -3.318 -2.381 0.00 0.00 N+0 HETATM 76 C UNK 0 -5.699 -3.031 -1.269 0.00 0.00 C+0 HETATM 77 C UNK 0 -5.689 -1.573 -0.904 0.00 0.00 C+0 HETATM 78 O UNK 0 -6.918 -1.051 -0.580 0.00 0.00 O+0 HETATM 79 C UNK 0 -5.750 -3.955 -0.118 0.00 0.00 C+0 HETATM 80 O UNK 0 -6.387 -5.051 -0.379 0.00 0.00 O+0 HETATM 81 N UNK 0 -5.245 -3.840 1.160 0.00 0.00 N+0 HETATM 82 C UNK 0 -3.876 -3.799 1.634 0.00 0.00 C+0 HETATM 83 C UNK 0 -3.572 -2.821 2.704 0.00 0.00 C+0 HETATM 84 C UNK 0 -2.127 -2.837 3.158 0.00 0.00 C+0 HETATM 85 C UNK 0 -4.404 -3.126 3.967 0.00 0.00 C+0 HETATM 86 C UNK 0 -2.889 -3.716 0.496 0.00 0.00 C+0 HETATM 87 O UNK 0 -3.039 -4.753 -0.258 0.00 0.00 O+0 HETATM 88 O UNK 0 -2.052 -2.716 0.379 0.00 0.00 O+0 HETATM 89 C UNK 0 -1.175 -2.046 -0.395 0.00 0.00 C+0 HETATM 90 C UNK 0 -1.590 -1.652 -1.793 0.00 0.00 C+0 HETATM 91 H UNK 0 19.450 2.249 0.196 0.00 0.00 H+0 HETATM 92 H UNK 0 18.427 2.142 -1.276 0.00 0.00 H+0 HETATM 93 H UNK 0 20.242 2.241 -1.481 0.00 0.00 H+0 HETATM 94 H UNK 0 20.185 -0.032 -0.032 0.00 0.00 H+0 HETATM 95 H UNK 0 19.659 -0.021 -1.796 0.00 0.00 H+0 HETATM 96 H UNK 0 17.801 0.440 0.592 0.00 0.00 H+0 HETATM 97 H UNK 0 17.343 0.293 -1.153 0.00 0.00 H+0 HETATM 98 H UNK 0 18.587 -1.943 0.554 0.00 0.00 H+0 HETATM 99 H UNK 0 18.147 -2.031 -1.179 0.00 0.00 H+0 HETATM 100 H UNK 0 16.464 -3.011 0.396 0.00 0.00 H+0 HETATM 101 H UNK 0 16.269 -1.366 1.152 0.00 0.00 H+0 HETATM 102 H UNK 0 15.611 -0.534 -1.226 0.00 0.00 H+0 HETATM 103 H UNK 0 15.713 -2.233 -1.756 0.00 0.00 H+0 HETATM 104 H UNK 0 13.415 -1.618 -1.301 0.00 0.00 H+0 HETATM 105 H UNK 0 13.958 -2.967 -0.280 0.00 0.00 H+0 HETATM 106 H UNK 0 12.615 -1.363 1.016 0.00 0.00 H+0 HETATM 107 H UNK 0 14.287 -1.307 1.634 0.00 0.00 H+0 HETATM 108 H UNK 0 13.043 0.558 -0.463 0.00 0.00 H+0 HETATM 109 H UNK 0 14.759 0.643 0.088 0.00 0.00 H+0 HETATM 110 H UNK 0 13.414 2.371 1.086 0.00 0.00 H+0 HETATM 111 H UNK 0 14.118 1.326 2.330 0.00 0.00 H+0 HETATM 112 H UNK 0 11.886 1.973 2.899 0.00 0.00 H+0 HETATM 113 H UNK 0 11.920 0.173 2.586 0.00 0.00 H+0 HETATM 114 H UNK 0 10.866 0.631 0.327 0.00 0.00 H+0 HETATM 115 H UNK 0 11.338 3.277 1.216 0.00 0.00 H+0 HETATM 116 H UNK 0 9.585 2.326 2.504 0.00 0.00 H+0 HETATM 117 H UNK 0 9.429 0.558 2.501 0.00 0.00 H+0 HETATM 118 H UNK 0 6.937 2.025 2.310 0.00 0.00 H+0 HETATM 119 H UNK 0 6.564 1.730 -0.689 0.00 0.00 H+0 HETATM 120 H UNK 0 5.160 3.756 1.040 0.00 0.00 H+0 HETATM 121 H UNK 0 4.708 3.391 -0.623 0.00 0.00 H+0 HETATM 122 H UNK 0 5.880 5.343 -0.658 0.00 0.00 H+0 HETATM 123 H UNK 0 7.123 4.915 -2.447 0.00 0.00 H+0 HETATM 124 H UNK 0 8.269 3.861 -1.591 0.00 0.00 H+0 HETATM 125 H UNK 0 6.734 3.138 -2.128 0.00 0.00 H+0 HETATM 126 H UNK 0 7.246 4.677 1.678 0.00 0.00 H+0 HETATM 127 H UNK 0 8.482 4.426 0.424 0.00 0.00 H+0 HETATM 128 H UNK 0 7.691 6.011 0.460 0.00 0.00 H+0 HETATM 129 H UNK 0 4.986 0.680 -1.582 0.00 0.00 H+0 HETATM 130 H UNK 0 2.998 -0.330 -1.919 0.00 0.00 H+0 HETATM 131 H UNK 0 3.075 -2.623 -1.056 0.00 0.00 H+0 HETATM 132 H UNK 0 4.690 -2.074 -1.588 0.00 0.00 H+0 HETATM 133 H UNK 0 3.731 -1.893 1.309 0.00 0.00 H+0 HETATM 134 H UNK 0 5.381 -1.439 0.661 0.00 0.00 H+0 HETATM 135 H UNK 0 6.214 -4.498 2.151 0.00 0.00 H+0 HETATM 136 H UNK 0 0.897 -1.189 -1.506 0.00 0.00 H+0 HETATM 137 H UNK 0 0.106 -1.410 1.270 0.00 0.00 H+0 HETATM 138 H UNK 0 -1.223 2.078 -0.378 0.00 0.00 H+0 HETATM 139 H UNK 0 -3.443 0.157 -0.660 0.00 0.00 H+0 HETATM 140 H UNK 0 -3.251 3.115 -1.323 0.00 0.00 H+0 HETATM 141 H UNK 0 -4.976 1.164 -2.836 0.00 0.00 H+0 HETATM 142 H UNK 0 -5.544 1.670 -1.252 0.00 0.00 H+0 HETATM 143 H UNK 0 -5.187 2.884 -2.534 0.00 0.00 H+0 HETATM 144 H UNK 0 -2.808 0.798 -3.237 0.00 0.00 H+0 HETATM 145 H UNK 0 -1.442 1.709 -2.454 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.673 2.586 -3.525 0.00 0.00 H+0 HETATM 147 H UNK 0 -3.658 3.489 1.709 0.00 0.00 H+0 HETATM 148 H UNK 0 -5.232 4.725 1.098 0.00 0.00 H+0 HETATM 149 H UNK 0 -5.255 4.467 3.213 0.00 0.00 H+0 HETATM 150 H UNK 0 -6.987 4.394 2.811 0.00 0.00 H+0 HETATM 151 H UNK 0 -5.087 2.165 3.820 0.00 0.00 H+0 HETATM 152 H UNK 0 -7.508 3.573 4.910 0.00 0.00 H+0 HETATM 153 H UNK 0 -5.744 3.729 5.467 0.00 0.00 H+0 HETATM 154 H UNK 0 -6.711 2.161 5.652 0.00 0.00 H+0 HETATM 155 H UNK 0 -6.957 0.679 4.086 0.00 0.00 H+0 HETATM 156 H UNK 0 -8.083 1.729 3.239 0.00 0.00 H+0 HETATM 157 H UNK 0 -6.748 0.949 2.351 0.00 0.00 H+0 HETATM 158 H UNK 0 -8.861 3.881 0.421 0.00 0.00 H+0 HETATM 159 H UNK 0 -8.192 1.011 0.609 0.00 0.00 H+0 HETATM 160 H UNK 0 -10.581 0.999 0.321 0.00 0.00 H+0 HETATM 161 H UNK 0 -10.624 2.746 -0.138 0.00 0.00 H+0 HETATM 162 H UNK 0 -10.268 3.356 1.827 0.00 0.00 H+0 HETATM 163 H UNK 0 -8.248 -0.041 -2.682 0.00 0.00 H+0 HETATM 164 H UNK 0 -10.337 0.901 -3.919 0.00 0.00 H+0 HETATM 165 H UNK 0 -11.638 0.056 -1.345 0.00 0.00 H+0 HETATM 166 H UNK 0 -11.589 1.710 -1.985 0.00 0.00 H+0 HETATM 167 H UNK 0 -13.077 0.910 -3.905 0.00 0.00 H+0 HETATM 168 H UNK 0 -14.047 0.263 -1.152 0.00 0.00 H+0 HETATM 169 H UNK 0 -14.916 1.018 -2.518 0.00 0.00 H+0 HETATM 170 H UNK 0 -13.580 1.949 -1.613 0.00 0.00 H+0 HETATM 171 H UNK 0 -12.898 -1.605 -2.074 0.00 0.00 H+0 HETATM 172 H UNK 0 -12.873 -1.636 -3.856 0.00 0.00 H+0 HETATM 173 H UNK 0 -14.382 -1.201 -2.922 0.00 0.00 H+0 HETATM 174 H UNK 0 -11.141 -2.936 -2.923 0.00 0.00 H+0 HETATM 175 H UNK 0 -9.283 -4.154 -3.563 0.00 0.00 H+0 HETATM 176 H UNK 0 -8.884 -5.165 -1.458 0.00 0.00 H+0 HETATM 177 H UNK 0 -10.505 -4.798 -1.960 0.00 0.00 H+0 HETATM 178 H UNK 0 -10.501 -4.855 0.206 0.00 0.00 H+0 HETATM 179 H UNK 0 -11.968 -3.341 -0.750 0.00 0.00 H+0 HETATM 180 H UNK 0 -10.908 -1.892 -0.228 0.00 0.00 H+0 HETATM 181 H UNK 0 -11.597 -3.007 0.937 0.00 0.00 H+0 HETATM 182 H UNK 0 -8.281 -2.805 0.760 0.00 0.00 H+0 HETATM 183 H UNK 0 -9.620 -3.291 1.771 0.00 0.00 H+0 HETATM 184 H UNK 0 -8.538 -4.568 1.219 0.00 0.00 H+0 HETATM 185 H UNK 0 -5.943 -4.010 -3.079 0.00 0.00 H+0 HETATM 186 H UNK 0 -4.589 -3.126 -1.689 0.00 0.00 H+0 HETATM 187 H UNK 0 -5.224 -0.952 -1.712 0.00 0.00 H+0 HETATM 188 H UNK 0 -5.044 -1.398 -0.001 0.00 0.00 H+0 HETATM 189 H UNK 0 -7.633 -1.535 -1.030 0.00 0.00 H+0 HETATM 190 H UNK 0 -5.958 -3.793 1.961 0.00 0.00 H+0 HETATM 191 H UNK 0 -3.692 -4.824 2.135 0.00 0.00 H+0 HETATM 192 H UNK 0 -3.778 -1.781 2.452 0.00 0.00 H+0 HETATM 193 H UNK 0 -1.707 -1.821 3.343 0.00 0.00 H+0 HETATM 194 H UNK 0 -1.473 -3.470 2.518 0.00 0.00 H+0 HETATM 195 H UNK 0 -2.090 -3.336 4.159 0.00 0.00 H+0 HETATM 196 H UNK 0 -4.939 -4.088 3.819 0.00 0.00 H+0 HETATM 197 H UNK 0 -3.790 -3.149 4.872 0.00 0.00 H+0 HETATM 198 H UNK 0 -5.175 -2.328 4.102 0.00 0.00 H+0 HETATM 199 H UNK 0 -0.347 -2.870 -0.655 0.00 0.00 H+0 HETATM 200 H UNK 0 -1.246 -2.350 -2.583 0.00 0.00 H+0 HETATM 201 H UNK 0 -2.695 -1.687 -1.836 0.00 0.00 H+0 HETATM 202 H UNK 0 -1.265 -0.623 -1.945 0.00 0.00 H+0 CONECT 1 2 91 92 93 CONECT 2 1 3 94 95 CONECT 3 2 4 96 97 CONECT 4 3 5 98 99 CONECT 5 4 6 100 101 CONECT 6 5 7 102 103 CONECT 7 6 8 104 105 CONECT 8 7 9 106 107 CONECT 9 8 10 108 109 CONECT 10 9 11 110 111 CONECT 11 10 12 112 113 CONECT 12 11 13 14 114 CONECT 13 12 115 CONECT 14 12 15 116 117 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 118 CONECT 18 17 19 23 119 CONECT 19 18 20 120 121 CONECT 20 19 21 22 122 CONECT 21 20 123 124 125 CONECT 22 20 126 127 128 CONECT 23 18 24 25 CONECT 24 23 CONECT 25 23 26 129 CONECT 26 25 27 32 130 CONECT 27 26 28 131 132 CONECT 28 27 29 133 134 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 135 CONECT 32 26 33 34 CONECT 33 32 CONECT 34 32 35 136 CONECT 35 34 36 89 137 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 138 CONECT 39 38 40 43 139 CONECT 40 39 41 42 140 CONECT 41 40 141 142 143 CONECT 42 40 144 145 146 CONECT 43 39 44 45 CONECT 44 43 CONECT 45 43 46 147 CONECT 46 45 47 51 148 CONECT 47 46 48 149 150 CONECT 48 47 49 50 151 CONECT 49 48 152 153 154 CONECT 50 48 155 156 157 CONECT 51 46 52 53 CONECT 52 51 CONECT 53 51 54 158 CONECT 54 53 55 57 159 CONECT 55 54 56 160 161 CONECT 56 55 162 CONECT 57 54 58 59 CONECT 58 57 CONECT 59 57 60 163 CONECT 60 59 61 65 164 CONECT 61 60 62 165 166 CONECT 62 61 63 64 167 CONECT 63 62 168 169 170 CONECT 64 62 171 172 173 CONECT 65 60 66 67 CONECT 66 65 CONECT 67 65 68 174 CONECT 68 67 69 73 175 CONECT 69 68 70 176 177 CONECT 70 69 71 72 178 CONECT 71 70 179 180 181 CONECT 72 70 182 183 184 CONECT 73 68 74 75 CONECT 74 73 CONECT 75 73 76 185 CONECT 76 75 77 79 186 CONECT 77 76 78 187 188 CONECT 78 77 189 CONECT 79 76 80 81 CONECT 80 79 CONECT 81 79 82 190 CONECT 82 81 83 86 191 CONECT 83 82 84 85 192 CONECT 84 83 193 194 195 CONECT 85 83 196 197 198 CONECT 86 82 87 88 CONECT 87 86 CONECT 88 86 89 CONECT 89 88 90 35 199 CONECT 90 89 200 201 202 CONECT 91 1 CONECT 92 1 CONECT 93 1 CONECT 94 2 CONECT 95 2 CONECT 96 3 CONECT 97 3 CONECT 98 4 CONECT 99 4 CONECT 100 5 CONECT 101 5 CONECT 102 6 CONECT 103 6 CONECT 104 7 CONECT 105 7 CONECT 106 8 CONECT 107 8 CONECT 108 9 CONECT 109 9 CONECT 110 10 CONECT 111 10 CONECT 112 11 CONECT 113 11 CONECT 114 12 CONECT 115 13 CONECT 116 14 CONECT 117 14 CONECT 118 17 CONECT 119 18 CONECT 120 19 CONECT 121 19 CONECT 122 20 CONECT 123 21 CONECT 124 21 CONECT 125 21 CONECT 126 22 CONECT 127 22 CONECT 128 22 CONECT 129 25 CONECT 130 26 CONECT 131 27 CONECT 132 27 CONECT 133 28 CONECT 134 28 CONECT 135 31 CONECT 136 34 CONECT 137 35 CONECT 138 38 CONECT 139 39 CONECT 140 40 CONECT 141 41 CONECT 142 41 CONECT 143 41 CONECT 144 42 CONECT 145 42 CONECT 146 42 CONECT 147 45 CONECT 148 46 CONECT 149 47 CONECT 150 47 CONECT 151 48 CONECT 152 49 CONECT 153 49 CONECT 154 49 CONECT 155 50 CONECT 156 50 CONECT 157 50 CONECT 158 53 CONECT 159 54 CONECT 160 55 CONECT 161 55 CONECT 162 56 CONECT 163 59 CONECT 164 60 CONECT 165 61 CONECT 166 61 CONECT 167 62 CONECT 168 63 CONECT 169 63 CONECT 170 63 CONECT 171 64 CONECT 172 64 CONECT 173 64 CONECT 174 67 CONECT 175 68 CONECT 176 69 CONECT 177 69 CONECT 178 70 CONECT 179 71 CONECT 180 71 CONECT 181 71 CONECT 182 72 CONECT 183 72 CONECT 184 72 CONECT 185 75 CONECT 186 76 CONECT 187 77 CONECT 188 77 CONECT 189 78 CONECT 190 81 CONECT 191 82 CONECT 192 83 CONECT 193 84 CONECT 194 84 CONECT 195 84 CONECT 196 85 CONECT 197 85 CONECT 198 85 CONECT 199 89 CONECT 200 90 CONECT 201 90 CONECT 202 90 MASTER 0 0 0 0 0 0 0 0 202 0 404 0 END SMILES for NP0006857 (Orfamide B)[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])[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])[H] INCHI for NP0006857 (Orfamide B)InChI=1S/C63H112N10O17/c1-15-16-17-18-19-20-21-22-23-24-41(76)31-49(77)64-43(27-34(2)3)55(81)65-42(25-26-50(78)79)54(80)73-53-40(14)90-63(89)52(39(12)13)72-60(86)48(33-75)70-57(83)45(29-36(6)7)66-56(82)44(28-35(4)5)67-59(85)47(32-74)69-58(84)46(30-37(8)9)68-61(87)51(38(10)11)71-62(53)88/h34-48,51-53,74-76H,15-33H2,1-14H3,(H,64,77)(H,65,81)(H,66,82)(H,67,85)(H,68,87)(H,69,84)(H,70,83)(H,71,88)(H,72,86)(H,73,80)(H,78,79)/t40-,41-,42-,43+,44+,45+,46+,47-,48-,51+,52+,53+/m0/s1 3D Structure for NP0006857 (Orfamide B) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C63H112N10O17 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1281.6420 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1280.82069 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (4S)-4-{[(3R,6S,12R,15S,21R,24R,25S)-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3,21-bis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}-4-[(2R)-2-[(3S)-3-hydroxytetradecanamido]-4-methylpentanamido]butanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (4S)-4-{[(3R,6S,12R,15S,21R,24R,25S)-6,15-bis(hydroxymethyl)-3,21-diisopropyl-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-hydroxytetradecanamido]-4-methylpentanamido]butanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCC(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)C)C(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C63H112N10O17/c1-15-16-17-18-19-20-21-22-23-24-41(76)31-49(77)64-43(27-34(2)3)55(81)65-42(25-26-50(78)79)54(80)73-53-40(14)90-63(89)52(39(12)13)72-60(86)48(33-75)70-57(83)45(29-36(6)7)66-56(82)44(28-35(4)5)67-59(85)47(32-74)69-58(84)46(30-37(8)9)68-61(87)51(38(10)11)71-62(53)88/h34-48,51-53,74-76H,15-33H2,1-14H3,(H,64,77)(H,65,81)(H,66,82)(H,67,85)(H,68,87)(H,69,84)(H,70,83)(H,71,88)(H,72,86)(H,73,80)(H,78,79) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | FPMIEPCWEZBKGP-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 | NPA002140 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444481 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 137628381 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
