Showing NP-Card for Landornamide A (NP0021053)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 06:21:15 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:35:19 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0021053 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Landornamide A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Landornamide A is found in Kamptonema sp. PCC 6506. Landornamide A was first documented in 2020 (PMID: 32163654). Based on a literature review very few articles have been published on Landornamide A. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0021053 (Landornamide A)
Mrv1652307042107563D
211215 0 0 0 0 999 V2000
15.8487 1.4052 2.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4637 1.1868 2.0317 C 0 0 2 0 0 0 0 0 0 0 0 0
14.3391 -0.1365 1.3528 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2349 -0.3148 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8659 -0.4818 1.0298 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7797 -1.7571 0.3673 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6838 -2.1493 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8754 -2.5604 -1.4207 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5718 -2.1982 -1.9186 C 0 0 2 0 0 0 0 0 0 0 0 0
10.9637 -1.0165 -2.5362 C 0 0 2 0 0 0 0 0 0 0 0 0
11.9191 -0.1952 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3563 -0.5877 -4.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2765 0.2957 -5.0165 N 0 0 0 0 0 0 0 0 0 0 0 0
13.4777 1.2377 -4.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2610 2.3613 -3.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2106 3.1814 -2.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3582 2.8900 -1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5728 1.7642 -1.9339 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6212 0.9305 -3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6874 -3.3496 -1.7101 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3392 -3.5376 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8799 -4.1881 -2.7862 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2330 -3.1601 -0.8131 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5743 -3.2810 0.5818 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9618 -4.2490 1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0957 -5.0125 0.8691 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2688 -4.4394 2.8320 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4568 -5.5349 3.3706 N 0 0 1 0 0 0 0 0 0 0 0 0
7.5506 -1.8902 -1.1983 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2376 -1.3965 -0.0437 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0962 0.3863 0.0503 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1608 0.8394 1.0928 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7703 0.9203 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8363 1.3534 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3781 0.5425 -0.7034 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9816 0.7055 -1.1265 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8047 0.6320 -2.6038 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5630 1.6297 -3.4089 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2555 3.0653 -3.1368 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5081 3.4947 -1.7986 N 0 0 2 0 0 0 0 0 0 0 0 0
1.1207 -0.3592 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 -1.2103 0.2317 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 -0.3473 -0.6869 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2054 -1.2758 -0.1018 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6130 -0.9628 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4497 -1.8006 0.0751 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0687 0.0603 -1.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5168 0.2319 -1.5395 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8800 1.6592 -1.3969 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7671 2.1052 0.1011 S 0 0 0 0 0 0 0 0 0 0 0 0
-6.7090 0.8146 0.8861 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2076 0.7318 2.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1596 1.2930 0.9693 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8417 0.4827 2.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6162 0.7780 3.2105 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7141 -0.5719 1.7156 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3578 -1.3156 2.7869 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6429 -0.6536 3.1819 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.6001 -0.5099 2.0760 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.1178 -1.7539 1.4293 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.8088 -2.5537 2.4019 N 0 0 1 0 0 0 0 0 0 0 0 0
-10.3818 -2.7322 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8803 -3.2057 1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.9375 -3.6361 3.5119 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.9047 -5.0517 3.2070 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1498 -5.7717 3.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1533 -5.1432 3.9367 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.3490 -7.1065 3.1797 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8228 -5.6817 4.0865 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1017 -5.3696 5.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7930 -7.0294 3.8338 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1273 2.6783 1.4042 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4354 3.7641 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7236 4.7967 0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6117 3.7011 -0.4028 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.7635 4.4264 0.3229 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.9965 4.4168 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.1014 3.7412 1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2358 4.3930 -1.5920 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4279 4.0699 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0745 4.8962 -3.6833 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9647 2.8532 -3.6482 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0737 2.2608 -4.4090 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.2647 1.8375 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2159 0.5610 -3.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3198 0.1264 -2.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4460 0.9070 -2.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4851 2.1774 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3988 2.6206 -3.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1658 2.0031 -2.8338 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5769 0.7711 -3.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7691 -0.1765 -2.2678 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7594 0.4121 -4.2751 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3665 0.1393 -4.0083 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7257 -0.3562 -2.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1989 -1.5327 -2.9932 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2264 0.2118 2.3863 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0726 0.5450 3.4639 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6176 0.3860 4.6505 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4463 1.0661 3.3379 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2215 0.1211 2.5677 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4499 0.4285 1.9316 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6760 0.0303 0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4863 1.2154 2.6481 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8881 2.3621 1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5691 0.3845 3.1025 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2498 -0.6167 2.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4002 -1.7765 2.9310 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6377 0.8883 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1098 2.5106 2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8918 1.2107 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2423 2.0166 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7781 1.2615 2.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6781 -0.8975 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7303 -1.3108 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6892 -0.0816 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0565 0.4202 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3685 0.3524 0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8259 -2.5790 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1670 -2.5943 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4969 -0.2941 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1417 -1.2690 -3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9689 -1.4582 -5.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8096 0.2981 -5.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9447 2.5966 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8489 4.0723 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2727 3.4888 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8519 1.4855 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2780 -4.2446 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3856 -3.9361 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2942 -2.6287 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3601 -4.6781 2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9845 -3.5293 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8147 -6.4458 2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6266 -5.5581 4.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0448 -1.9843 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2477 -1.0562 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1178 0.8743 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7508 0.7875 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4121 1.9666 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9886 0.1310 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6049 1.6473 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 0.7270 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0404 -0.4184 -2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3271 1.4480 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6715 1.4281 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2185 3.3416 -3.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9463 3.6642 -3.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9878 4.3327 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 3.6041 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6393 0.4132 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0722 -1.4109 0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 -2.2903 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4656 0.7525 -1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0112 -0.4650 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3014 2.1474 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8831 2.2282 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6298 -0.1886 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 0.6357 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3704 1.6639 2.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5305 -0.1868 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5980 1.1659 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9566 -0.8862 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6283 -1.1425 3.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3777 0.3681 3.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0184 -1.2079 4.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1717 0.1372 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4659 0.1452 2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3157 -2.2994 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8530 -1.4288 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4461 -2.3760 3.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8465 -2.3566 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3439 -3.2332 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5597 -5.1760 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2625 -7.4045 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8635 -5.1774 3.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7325 -4.3614 5.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5626 -6.0820 6.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1836 -5.4786 5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5789 -7.2371 2.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8712 2.8952 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9200 2.6703 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4614 5.4672 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7245 5.1148 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8122 4.7574 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4386 3.3975 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1484 3.3747 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9918 4.4011 2.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4673 2.8465 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7201 5.3259 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2050 3.2901 -4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7603 1.4620 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4523 3.0719 -5.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3249 -0.0681 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3254 -0.8642 -1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3349 0.5890 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3471 2.8320 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4165 3.6281 -3.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9716 2.3851 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2618 -0.4941 -4.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8390 1.1711 -5.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7372 0.3621 -4.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5402 -0.6010 2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3693 2.0447 2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8931 1.2084 4.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8400 -0.8649 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9581 1.6849 3.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3635 2.2927 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9620 2.5354 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4742 3.3310 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8832 0.5506 4.1117 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
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
9 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
23 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 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 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
36 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 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
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
57 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
65 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
53 72 1 0 0 0 0
72 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
76 78 1 0 0 0 0
75 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
80 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
85 86 1 0 0 0 0
86 87 2 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
82 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 2 0 0 0 0
91 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 2 0 0 0 0
32 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 2 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
102103 2 0 0 0 0
102104 1 0 0 0 0
104105 1 0 0 0 0
104106 1 0 0 0 0
106107 1 0 0 0 0
107108 2 0 0 0 0
107 5 1 0 0 0 0
19 11 1 0 0 0 0
95 48 1 0 0 0 0
19 14 1 0 0 0 0
89 84 1 0 0 0 0
1109 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
2112 1 0 0 0 0
2113 1 0 0 0 0
3114 1 1 0 0 0
4115 1 0 0 0 0
4116 1 0 0 0 0
4117 1 0 0 0 0
5118 1 6 0 0 0
6119 1 0 0 0 0
9120 1 6 0 0 0
10121 1 0 0 0 0
10122 1 0 0 0 0
12123 1 0 0 0 0
13124 1 0 0 0 0
15125 1 0 0 0 0
16126 1 0 0 0 0
17127 1 0 0 0 0
18128 1 0 0 0 0
20129 1 0 0 0 0
23130 1 6 0 0 0
24131 1 0 0 0 0
27132 1 0 0 0 0
27133 1 0 0 0 0
28134 1 0 0 0 0
28135 1 0 0 0 0
29136 1 0 0 0 0
29137 1 0 0 0 0
31138 1 0 0 0 0
31139 1 0 0 0 0
32140 1 1 0 0 0
35141 1 0 0 0 0
36142 1 1 0 0 0
37143 1 0 0 0 0
37144 1 0 0 0 0
38145 1 0 0 0 0
38146 1 0 0 0 0
39147 1 0 0 0 0
39148 1 0 0 0 0
40149 1 0 0 0 0
40150 1 0 0 0 0
43151 1 0 0 0 0
44152 1 0 0 0 0
44153 1 0 0 0 0
47154 1 0 0 0 0
48155 1 1 0 0 0
49156 1 0 0 0 0
49157 1 0 0 0 0
51158 1 6 0 0 0
52159 1 0 0 0 0
52160 1 0 0 0 0
52161 1 0 0 0 0
53162 1 6 0 0 0
56163 1 0 0 0 0
57164 1 1 0 0 0
58165 1 0 0 0 0
58166 1 0 0 0 0
59167 1 0 0 0 0
59168 1 0 0 0 0
60169 1 0 0 0 0
60170 1 0 0 0 0
61171 1 0 0 0 0
61172 1 0 0 0 0
64173 1 0 0 0 0
65174 1 6 0 0 0
68175 1 0 0 0 0
69176 1 6 0 0 0
70177 1 0 0 0 0
70178 1 0 0 0 0
70179 1 0 0 0 0
71180 1 0 0 0 0
72181 1 0 0 0 0
75182 1 6 0 0 0
76183 1 1 0 0 0
77184 1 0 0 0 0
77185 1 0 0 0 0
77186 1 0 0 0 0
78187 1 0 0 0 0
78188 1 0 0 0 0
78189 1 0 0 0 0
79190 1 0 0 0 0
82191 1 6 0 0 0
83192 1 0 0 0 0
83193 1 0 0 0 0
85194 1 0 0 0 0
86195 1 0 0 0 0
87196 1 0 0 0 0
88197 1 0 0 0 0
89198 1 0 0 0 0
90199 1 0 0 0 0
93200 1 0 0 0 0
93201 1 0 0 0 0
94202 1 0 0 0 0
97203 1 0 0 0 0
100204 1 0 0 0 0
100205 1 0 0 0 0
101206 1 0 0 0 0
104207 1 1 0 0 0
105208 1 0 0 0 0
105209 1 0 0 0 0
105210 1 0 0 0 0
106211 1 0 0 0 0
M END
3D MOL for NP0021053 (Landornamide A)
RDKit 3D
211215 0 0 0 0 0 0 0 0999 V2000
15.8487 1.4052 2.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4637 1.1868 2.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3391 -0.1365 1.3528 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2349 -0.3148 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8659 -0.4818 1.0298 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7797 -1.7571 0.3673 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6838 -2.1493 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8754 -2.5604 -1.4207 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5718 -2.1982 -1.9186 C 0 0 2 0 0 0 0 0 0 0 0 0
10.9637 -1.0165 -2.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9191 -0.1952 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3563 -0.5877 -4.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2765 0.2957 -5.0165 N 0 0 0 0 0 0 0 0 0 0 0 0
13.4777 1.2377 -4.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2610 2.3613 -3.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2106 3.1814 -2.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3582 2.8900 -1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5728 1.7642 -1.9339 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6212 0.9305 -3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6874 -3.3496 -1.7101 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3392 -3.5376 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8799 -4.1881 -2.7862 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2330 -3.1601 -0.8131 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5743 -3.2810 0.5818 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9618 -4.2490 1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0957 -5.0125 0.8691 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2688 -4.4394 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4568 -5.5349 3.3706 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5506 -1.8902 -1.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2376 -1.3965 -0.0437 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0962 0.3863 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1608 0.8394 1.0928 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7703 0.9203 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8363 1.3534 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3781 0.5425 -0.7034 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9816 0.7055 -1.1265 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8047 0.6320 -2.6038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5630 1.6297 -3.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2555 3.0653 -3.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5081 3.4947 -1.7986 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.3592 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 -1.2103 0.2317 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 -0.3473 -0.6869 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2054 -1.2758 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6130 -0.9628 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4497 -1.8006 0.0751 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0687 0.0603 -1.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5168 0.2319 -1.5395 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8800 1.6592 -1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7671 2.1052 0.1011 S 0 0 0 0 0 0 0 0 0 0 0 0
-6.7090 0.8146 0.8861 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2076 0.7318 2.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1596 1.2930 0.9693 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8417 0.4827 2.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6162 0.7780 3.2105 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7141 -0.5719 1.7156 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3578 -1.3156 2.7869 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6429 -0.6536 3.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6001 -0.5099 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1178 -1.7539 1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.8088 -2.5537 2.4019 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3818 -2.7322 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8803 -3.2057 1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.9375 -3.6361 3.5119 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.9047 -5.0517 3.2070 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1498 -5.7717 3.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1533 -5.1432 3.9367 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.3490 -7.1065 3.1797 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8228 -5.6817 4.0865 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1017 -5.3696 5.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7930 -7.0294 3.8338 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1273 2.6783 1.4042 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4354 3.7641 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7236 4.7967 0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6117 3.7011 -0.4028 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.7635 4.4264 0.3229 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.9965 4.4168 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.1014 3.7412 1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2358 4.3930 -1.5920 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4279 4.0699 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0745 4.8962 -3.6833 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9647 2.8532 -3.6482 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0737 2.2608 -4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2647 1.8375 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2159 0.5610 -3.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3198 0.1264 -2.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4460 0.9070 -2.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4851 2.1774 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3988 2.6206 -3.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1658 2.0031 -2.8338 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5769 0.7711 -3.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7691 -0.1765 -2.2678 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7594 0.4121 -4.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3665 0.1393 -4.0083 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7257 -0.3562 -2.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1989 -1.5327 -2.9932 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2264 0.2118 2.3863 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0726 0.5450 3.4639 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6176 0.3860 4.6505 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4463 1.0661 3.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2215 0.1211 2.5677 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4499 0.4285 1.9316 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6760 0.0303 0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4863 1.2154 2.6481 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8881 2.3621 1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5691 0.3845 3.1025 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2498 -0.6167 2.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4002 -1.7765 2.9310 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6377 0.8883 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1098 2.5106 2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8918 1.2107 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2423 2.0166 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7781 1.2615 2.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6781 -0.8975 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7303 -1.3108 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6892 -0.0816 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0565 0.4202 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3685 0.3524 0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8259 -2.5790 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1670 -2.5943 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4969 -0.2941 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1417 -1.2690 -3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9689 -1.4582 -5.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8096 0.2981 -5.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9447 2.5966 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8489 4.0723 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2727 3.4888 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8519 1.4855 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2780 -4.2446 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3856 -3.9361 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2942 -2.6287 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3601 -4.6781 2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9845 -3.5293 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8147 -6.4458 2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6266 -5.5581 4.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0448 -1.9843 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2477 -1.0562 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1178 0.8743 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7508 0.7875 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4121 1.9666 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9886 0.1310 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6049 1.6473 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 0.7270 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0404 -0.4184 -2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3271 1.4480 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6715 1.4281 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2185 3.3416 -3.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9463 3.6642 -3.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9878 4.3327 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 3.6041 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6393 0.4132 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0722 -1.4109 0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 -2.2903 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4656 0.7525 -1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0112 -0.4650 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3014 2.1474 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8831 2.2282 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6298 -0.1886 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 0.6357 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3704 1.6639 2.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5305 -0.1868 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5980 1.1659 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9566 -0.8862 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6283 -1.1425 3.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3777 0.3681 3.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0184 -1.2079 4.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1717 0.1372 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4659 0.1452 2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3157 -2.2994 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8530 -1.4288 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4461 -2.3760 3.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8465 -2.3566 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3439 -3.2332 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5597 -5.1760 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2625 -7.4045 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8635 -5.1774 3.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7325 -4.3614 5.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5626 -6.0820 6.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1836 -5.4786 5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5789 -7.2371 2.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8712 2.8952 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9200 2.6703 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4614 5.4672 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7245 5.1148 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8122 4.7574 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4386 3.3975 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1484 3.3747 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9918 4.4011 2.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4673 2.8465 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7201 5.3259 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2050 3.2901 -4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7603 1.4620 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4523 3.0719 -5.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3249 -0.0681 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3254 -0.8642 -1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3349 0.5890 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3471 2.8320 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4165 3.6281 -3.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9716 2.3851 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2618 -0.4941 -4.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8390 1.1711 -5.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7372 0.3621 -4.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5402 -0.6010 2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3693 2.0447 2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8931 1.2084 4.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8400 -0.8649 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9581 1.6849 3.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3635 2.2927 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9620 2.5354 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4742 3.3310 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8832 0.5506 4.1117 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
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
9 20 1 0
20 21 1 0
21 22 2 0
21 23 1 0
23 24 1 0
24 25 1 0
25 26 2 0
25 27 1 0
27 28 1 0
23 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
36 41 1 0
41 42 2 0
41 43 1 0
43 44 1 0
44 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
51 52 1 0
51 53 1 0
53 54 1 0
54 55 2 0
54 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
57 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
66 67 2 0
66 68 1 0
65 69 1 0
69 70 1 0
69 71 1 0
53 72 1 0
72 73 1 0
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
76 78 1 0
75 79 1 0
79 80 1 0
80 81 2 0
80 82 1 0
82 83 1 0
83 84 1 0
84 85 2 0
85 86 1 0
86 87 2 0
87 88 1 0
88 89 2 0
82 90 1 0
90 91 1 0
91 92 2 0
91 93 1 0
93 94 1 0
94 95 1 0
95 96 2 0
32 97 1 0
97 98 1 0
98 99 2 0
98100 1 0
100101 1 0
101102 1 0
102103 2 0
102104 1 0
104105 1 0
104106 1 0
106107 1 0
107108 2 0
107 5 1 0
19 11 1 0
95 48 1 0
19 14 1 0
89 84 1 0
1109 1 0
1110 1 0
1111 1 0
2112 1 0
2113 1 0
3114 1 1
4115 1 0
4116 1 0
4117 1 0
5118 1 6
6119 1 0
9120 1 6
10121 1 0
10122 1 0
12123 1 0
13124 1 0
15125 1 0
16126 1 0
17127 1 0
18128 1 0
20129 1 0
23130 1 6
24131 1 0
27132 1 0
27133 1 0
28134 1 0
28135 1 0
29136 1 0
29137 1 0
31138 1 0
31139 1 0
32140 1 1
35141 1 0
36142 1 1
37143 1 0
37144 1 0
38145 1 0
38146 1 0
39147 1 0
39148 1 0
40149 1 0
40150 1 0
43151 1 0
44152 1 0
44153 1 0
47154 1 0
48155 1 1
49156 1 0
49157 1 0
51158 1 6
52159 1 0
52160 1 0
52161 1 0
53162 1 6
56163 1 0
57164 1 1
58165 1 0
58166 1 0
59167 1 0
59168 1 0
60169 1 0
60170 1 0
61171 1 0
61172 1 0
64173 1 0
65174 1 6
68175 1 0
69176 1 6
70177 1 0
70178 1 0
70179 1 0
71180 1 0
72181 1 0
75182 1 6
76183 1 1
77184 1 0
77185 1 0
77186 1 0
78187 1 0
78188 1 0
78189 1 0
79190 1 0
82191 1 6
83192 1 0
83193 1 0
85194 1 0
86195 1 0
87196 1 0
88197 1 0
89198 1 0
90199 1 0
93200 1 0
93201 1 0
94202 1 0
97203 1 0
100204 1 0
100205 1 0
101206 1 0
104207 1 1
105208 1 0
105209 1 0
105210 1 0
106211 1 0
M END
3D SDF for NP0021053 (Landornamide A)
Mrv1652307042107563D
211215 0 0 0 0 999 V2000
15.8487 1.4052 2.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4637 1.1868 2.0317 C 0 0 2 0 0 0 0 0 0 0 0 0
14.3391 -0.1365 1.3528 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2349 -0.3148 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8659 -0.4818 1.0298 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7797 -1.7571 0.3673 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6838 -2.1493 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8754 -2.5604 -1.4207 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5718 -2.1982 -1.9186 C 0 0 2 0 0 0 0 0 0 0 0 0
10.9637 -1.0165 -2.5362 C 0 0 2 0 0 0 0 0 0 0 0 0
11.9191 -0.1952 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3563 -0.5877 -4.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2765 0.2957 -5.0165 N 0 0 0 0 0 0 0 0 0 0 0 0
13.4777 1.2377 -4.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2610 2.3613 -3.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2106 3.1814 -2.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3582 2.8900 -1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5728 1.7642 -1.9339 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6212 0.9305 -3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6874 -3.3496 -1.7101 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3392 -3.5376 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8799 -4.1881 -2.7862 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2330 -3.1601 -0.8131 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5743 -3.2810 0.5818 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9618 -4.2490 1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0957 -5.0125 0.8691 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2688 -4.4394 2.8320 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4568 -5.5349 3.3706 N 0 0 1 0 0 0 0 0 0 0 0 0
7.5506 -1.8902 -1.1983 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2376 -1.3965 -0.0437 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0962 0.3863 0.0503 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1608 0.8394 1.0928 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7703 0.9203 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8363 1.3534 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3781 0.5425 -0.7034 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9816 0.7055 -1.1265 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8047 0.6320 -2.6038 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5630 1.6297 -3.4089 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2555 3.0653 -3.1368 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5081 3.4947 -1.7986 N 0 0 2 0 0 0 0 0 0 0 0 0
1.1207 -0.3592 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 -1.2103 0.2317 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 -0.3473 -0.6869 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2054 -1.2758 -0.1018 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6130 -0.9628 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4497 -1.8006 0.0751 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0687 0.0603 -1.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5168 0.2319 -1.5395 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8800 1.6592 -1.3969 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7671 2.1052 0.1011 S 0 0 0 0 0 0 0 0 0 0 0 0
-6.7090 0.8146 0.8861 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2076 0.7318 2.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1596 1.2930 0.9693 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8417 0.4827 2.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6162 0.7780 3.2105 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7141 -0.5719 1.7156 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3578 -1.3156 2.7869 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6429 -0.6536 3.1819 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.6001 -0.5099 2.0760 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.1178 -1.7539 1.4293 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.8088 -2.5537 2.4019 N 0 0 1 0 0 0 0 0 0 0 0 0
-10.3818 -2.7322 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8803 -3.2057 1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.9375 -3.6361 3.5119 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.9047 -5.0517 3.2070 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1498 -5.7717 3.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1533 -5.1432 3.9367 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.3490 -7.1065 3.1797 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8228 -5.6817 4.0865 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1017 -5.3696 5.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7930 -7.0294 3.8338 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1273 2.6783 1.4042 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4354 3.7641 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7236 4.7967 0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6117 3.7011 -0.4028 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.7635 4.4264 0.3229 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.9965 4.4168 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.1014 3.7412 1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2358 4.3930 -1.5920 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4279 4.0699 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0745 4.8962 -3.6833 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9647 2.8532 -3.6482 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0737 2.2608 -4.4090 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.2647 1.8375 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2159 0.5610 -3.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3198 0.1264 -2.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4460 0.9070 -2.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4851 2.1774 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3988 2.6206 -3.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1658 2.0031 -2.8338 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5769 0.7711 -3.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7691 -0.1765 -2.2678 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7594 0.4121 -4.2751 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3665 0.1393 -4.0083 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7257 -0.3562 -2.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1989 -1.5327 -2.9932 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2264 0.2118 2.3863 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0726 0.5450 3.4639 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6176 0.3860 4.6505 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4463 1.0661 3.3379 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2215 0.1211 2.5677 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4499 0.4285 1.9316 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6760 0.0303 0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4863 1.2154 2.6481 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8881 2.3621 1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5691 0.3845 3.1025 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2498 -0.6167 2.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4002 -1.7765 2.9310 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6377 0.8883 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1098 2.5106 2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8918 1.2107 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2423 2.0166 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7781 1.2615 2.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6781 -0.8975 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7303 -1.3108 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6892 -0.0816 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0565 0.4202 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3685 0.3524 0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8259 -2.5790 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1670 -2.5943 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4969 -0.2941 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1417 -1.2690 -3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9689 -1.4582 -5.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8096 0.2981 -5.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9447 2.5966 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8489 4.0723 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2727 3.4888 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8519 1.4855 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2780 -4.2446 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3856 -3.9361 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2942 -2.6287 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3601 -4.6781 2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9845 -3.5293 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8147 -6.4458 2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6266 -5.5581 4.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0448 -1.9843 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2477 -1.0562 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1178 0.8743 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7508 0.7875 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4121 1.9666 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9886 0.1310 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6049 1.6473 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 0.7270 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0404 -0.4184 -2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3271 1.4480 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6715 1.4281 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2185 3.3416 -3.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9463 3.6642 -3.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9878 4.3327 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 3.6041 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6393 0.4132 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0722 -1.4109 0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 -2.2903 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4656 0.7525 -1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0112 -0.4650 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3014 2.1474 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8831 2.2282 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6298 -0.1886 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 0.6357 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3704 1.6639 2.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5305 -0.1868 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5980 1.1659 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9566 -0.8862 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6283 -1.1425 3.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3777 0.3681 3.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0184 -1.2079 4.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1717 0.1372 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4659 0.1452 2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3157 -2.2994 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8530 -1.4288 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4461 -2.3760 3.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8465 -2.3566 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3439 -3.2332 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5597 -5.1760 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2625 -7.4045 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8635 -5.1774 3.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7325 -4.3614 5.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5626 -6.0820 6.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1836 -5.4786 5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5789 -7.2371 2.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8712 2.8952 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9200 2.6703 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4614 5.4672 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7245 5.1148 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8122 4.7574 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4386 3.3975 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1484 3.3747 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9918 4.4011 2.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4673 2.8465 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7201 5.3259 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2050 3.2901 -4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7603 1.4620 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4523 3.0719 -5.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3249 -0.0681 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3254 -0.8642 -1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3349 0.5890 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3471 2.8320 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4165 3.6281 -3.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9716 2.3851 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2618 -0.4941 -4.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8390 1.1711 -5.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7372 0.3621 -4.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5402 -0.6010 2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3693 2.0447 2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8931 1.2084 4.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8400 -0.8649 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9581 1.6849 3.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3635 2.2927 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9620 2.5354 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4742 3.3310 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8832 0.5506 4.1117 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
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
9 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
23 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 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 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
36 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 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
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
57 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
65 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
53 72 1 0 0 0 0
72 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
76 78 1 0 0 0 0
75 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
80 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
85 86 1 0 0 0 0
86 87 2 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
82 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 2 0 0 0 0
91 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 2 0 0 0 0
32 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 2 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
102103 2 0 0 0 0
102104 1 0 0 0 0
104105 1 0 0 0 0
104106 1 0 0 0 0
106107 1 0 0 0 0
107108 2 0 0 0 0
107 5 1 0 0 0 0
19 11 1 0 0 0 0
95 48 1 0 0 0 0
19 14 1 0 0 0 0
89 84 1 0 0 0 0
1109 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
2112 1 0 0 0 0
2113 1 0 0 0 0
3114 1 1 0 0 0
4115 1 0 0 0 0
4116 1 0 0 0 0
4117 1 0 0 0 0
5118 1 6 0 0 0
6119 1 0 0 0 0
9120 1 6 0 0 0
10121 1 0 0 0 0
10122 1 0 0 0 0
12123 1 0 0 0 0
13124 1 0 0 0 0
15125 1 0 0 0 0
16126 1 0 0 0 0
17127 1 0 0 0 0
18128 1 0 0 0 0
20129 1 0 0 0 0
23130 1 6 0 0 0
24131 1 0 0 0 0
27132 1 0 0 0 0
27133 1 0 0 0 0
28134 1 0 0 0 0
28135 1 0 0 0 0
29136 1 0 0 0 0
29137 1 0 0 0 0
31138 1 0 0 0 0
31139 1 0 0 0 0
32140 1 1 0 0 0
35141 1 0 0 0 0
36142 1 1 0 0 0
37143 1 0 0 0 0
37144 1 0 0 0 0
38145 1 0 0 0 0
38146 1 0 0 0 0
39147 1 0 0 0 0
39148 1 0 0 0 0
40149 1 0 0 0 0
40150 1 0 0 0 0
43151 1 0 0 0 0
44152 1 0 0 0 0
44153 1 0 0 0 0
47154 1 0 0 0 0
48155 1 1 0 0 0
49156 1 0 0 0 0
49157 1 0 0 0 0
51158 1 6 0 0 0
52159 1 0 0 0 0
52160 1 0 0 0 0
52161 1 0 0 0 0
53162 1 6 0 0 0
56163 1 0 0 0 0
57164 1 1 0 0 0
58165 1 0 0 0 0
58166 1 0 0 0 0
59167 1 0 0 0 0
59168 1 0 0 0 0
60169 1 0 0 0 0
60170 1 0 0 0 0
61171 1 0 0 0 0
61172 1 0 0 0 0
64173 1 0 0 0 0
65174 1 6 0 0 0
68175 1 0 0 0 0
69176 1 6 0 0 0
70177 1 0 0 0 0
70178 1 0 0 0 0
70179 1 0 0 0 0
71180 1 0 0 0 0
72181 1 0 0 0 0
75182 1 6 0 0 0
76183 1 1 0 0 0
77184 1 0 0 0 0
77185 1 0 0 0 0
77186 1 0 0 0 0
78187 1 0 0 0 0
78188 1 0 0 0 0
78189 1 0 0 0 0
79190 1 0 0 0 0
82191 1 6 0 0 0
83192 1 0 0 0 0
83193 1 0 0 0 0
85194 1 0 0 0 0
86195 1 0 0 0 0
87196 1 0 0 0 0
88197 1 0 0 0 0
89198 1 0 0 0 0
90199 1 0 0 0 0
93200 1 0 0 0 0
93201 1 0 0 0 0
94202 1 0 0 0 0
97203 1 0 0 0 0
100204 1 0 0 0 0
100205 1 0 0 0 0
101206 1 0 0 0 0
104207 1 1 0 0 0
105208 1 0 0 0 0
105209 1 0 0 0 0
105210 1 0 0 0 0
106211 1 0 0 0 0
M END
> <DATABASE_ID>
NP0021053
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])SC2([H])[H])C([H])([H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])S[C@@]1([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[C@]([H])(O[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C69H103N19O18S2/c1-8-35(4)55-67(103)77-36(5)58(94)74-28-52(92)80-48(32-107-31-47(79-50(90)26-72)65(101)84-46(63(99)86-55)25-40-27-73-42-19-13-12-18-41(40)42)64(100)82-43(20-14-22-70)59(95)75-30-53(93)81-49-33-108-38(7)57(68(104)83-44(21-15-23-71)61(97)87-56(37(6)89)69(105)106)88-66(102)54(34(2)3)85-62(98)45(24-39-16-10-9-11-17-39)78-51(91)29-76-60(49)96/h9-13,16-19,27,34-38,43-49,54-57,73,89H,8,14-15,20-26,28-33,70-72H2,1-7H3,(H,74,94)(H,75,95)(H,76,96)(H,77,103)(H,78,91)(H,79,90)(H,80,92)(H,81,93)(H,82,100)(H,83,104)(H,84,101)(H,85,98)(H,86,99)(H,87,97)(H,88,102)(H,105,106)/t35-,36-,37+,38-,43-,44-,45-,46-,47-,48-,49-,54+,55+,56-,57-/m0/s1
> <INCHI_KEY>
ULTOBTMZTQDCLE-DYFGBKDTSA-N
> <FORMULA>
C69H103N19O18S2
> <MOLECULAR_WEIGHT>
1550.82
> <EXACT_MASS>
1549.716989901
> <JCHEM_ACCEPTOR_COUNT>
21
> <JCHEM_ATOM_COUNT>
211
> <JCHEM_AVERAGE_POLARIZABILITY>
160.61227044029675
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
21
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S,3R)-2-[(2S)-5-amino-2-{[(2S,3R,6R,9S,15R)-15-{2-[(2S)-5-amino-2-{[(3R,9S,12R,18R)-18-(2-aminoacetamido)-12-[(2S)-butan-2-yl]-15-[(1H-indol-3-yl)methyl]-9-methyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadecan-3-yl]formamido}pentanamido]acetamido}-9-benzyl-2-methyl-5,8,11,14-tetraoxo-6-(propan-2-yl)-1-thia-4,7,10,13-tetraazacyclohexadecan-3-yl]formamido}pentanamido]-3-hydroxybutanoic acid
> <ALOGPS_LOGP>
-1.32
> <JCHEM_LOGP>
-10.15985331969048
> <ALOGPS_LOGS>
-4.53
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
2
> <JCHEM_PKA>
10.59811321751375
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.312752620625977
> <JCHEM_PKA_STRONGEST_BASIC>
9.837395390513082
> <JCHEM_POLAR_SURFACE_AREA>
587.8799999999999
> <JCHEM_REFRACTIVITY>
392.40110000000027
> <JCHEM_ROTATABLE_BOND_COUNT>
27
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
4.61e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R)-2-[(2S)-5-amino-2-{[(2S,3R,6R,9S,15R)-15-{2-[(2S)-5-amino-2-{[(3R,9S,12R,18R)-18-(2-aminoacetamido)-12-[(2S)-butan-2-yl]-15-(1H-indol-3-ylmethyl)-9-methyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadecan-3-yl]formamido}pentanamido]acetamido}-9-benzyl-6-isopropyl-2-methyl-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecan-3-yl]formamido}pentanamido]-3-hydroxybutanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0021053 (Landornamide A)
RDKit 3D
211215 0 0 0 0 0 0 0 0999 V2000
15.8487 1.4052 2.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4637 1.1868 2.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3391 -0.1365 1.3528 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2349 -0.3148 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8659 -0.4818 1.0298 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7797 -1.7571 0.3673 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6838 -2.1493 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8754 -2.5604 -1.4207 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5718 -2.1982 -1.9186 C 0 0 2 0 0 0 0 0 0 0 0 0
10.9637 -1.0165 -2.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9191 -0.1952 -3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3563 -0.5877 -4.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2765 0.2957 -5.0165 N 0 0 0 0 0 0 0 0 0 0 0 0
13.4777 1.2377 -4.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2610 2.3613 -3.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2106 3.1814 -2.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3582 2.8900 -1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5728 1.7642 -1.9339 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6212 0.9305 -3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6874 -3.3496 -1.7101 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3392 -3.5376 -1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8799 -4.1881 -2.7862 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2330 -3.1601 -0.8131 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5743 -3.2810 0.5818 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9618 -4.2490 1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0957 -5.0125 0.8691 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2688 -4.4394 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4568 -5.5349 3.3706 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5506 -1.8902 -1.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2376 -1.3965 -0.0437 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0962 0.3863 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1608 0.8394 1.0928 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7703 0.9203 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8363 1.3534 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3781 0.5425 -0.7034 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9816 0.7055 -1.1265 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8047 0.6320 -2.6038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5630 1.6297 -3.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2555 3.0653 -3.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5081 3.4947 -1.7986 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.3592 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 -1.2103 0.2317 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 -0.3473 -0.6869 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2054 -1.2758 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6130 -0.9628 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4497 -1.8006 0.0751 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0687 0.0603 -1.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5168 0.2319 -1.5395 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8800 1.6592 -1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7671 2.1052 0.1011 S 0 0 0 0 0 0 0 0 0 0 0 0
-6.7090 0.8146 0.8861 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2076 0.7318 2.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1596 1.2930 0.9693 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8417 0.4827 2.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6162 0.7780 3.2105 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7141 -0.5719 1.7156 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3578 -1.3156 2.7869 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.6429 -0.6536 3.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.6001 -0.5099 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1178 -1.7539 1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.8088 -2.5537 2.4019 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3818 -2.7322 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8803 -3.2057 1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.9375 -3.6361 3.5119 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.9047 -5.0517 3.2070 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1498 -5.7717 3.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1533 -5.1432 3.9367 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.3490 -7.1065 3.1797 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8228 -5.6817 4.0865 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1017 -5.3696 5.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7930 -7.0294 3.8338 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1273 2.6783 1.4042 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4354 3.7641 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7236 4.7967 0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6117 3.7011 -0.4028 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.7635 4.4264 0.3229 C 0 0 1 0 0 0 0 0 0 0 0 0
-11.9965 4.4168 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.1014 3.7412 1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2358 4.3930 -1.5920 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4279 4.0699 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0745 4.8962 -3.6833 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9647 2.8532 -3.6482 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0737 2.2608 -4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2647 1.8375 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2159 0.5610 -3.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3198 0.1264 -2.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4460 0.9070 -2.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4851 2.1774 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3988 2.6206 -3.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1658 2.0031 -2.8338 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5769 0.7711 -3.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7691 -0.1765 -2.2678 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7594 0.4121 -4.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3665 0.1393 -4.0083 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7257 -0.3562 -2.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1989 -1.5327 -2.9932 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2264 0.2118 2.3863 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0726 0.5450 3.4639 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6176 0.3860 4.6505 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4463 1.0661 3.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2215 0.1211 2.5677 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4499 0.4285 1.9316 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6760 0.0303 0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4863 1.2154 2.6481 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8881 2.3621 1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5691 0.3845 3.1025 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2498 -0.6167 2.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4002 -1.7765 2.9310 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6377 0.8883 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1098 2.5106 2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8918 1.2107 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2423 2.0166 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7781 1.2615 2.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6781 -0.8975 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7303 -1.3108 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6892 -0.0816 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0565 0.4202 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3685 0.3524 0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8259 -2.5790 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1670 -2.5943 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4969 -0.2941 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1417 -1.2690 -3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9689 -1.4582 -5.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8096 0.2981 -5.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9447 2.5966 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8489 4.0723 -2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2727 3.4888 -0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8519 1.4855 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2780 -4.2446 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3856 -3.9361 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2942 -2.6287 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3601 -4.6781 2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9845 -3.5293 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8147 -6.4458 2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6266 -5.5581 4.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0448 -1.9843 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2477 -1.0562 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1178 0.8743 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7508 0.7875 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4121 1.9666 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9886 0.1310 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6049 1.6473 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7089 0.7270 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0404 -0.4184 -2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3271 1.4480 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6715 1.4281 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2185 3.3416 -3.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9463 3.6642 -3.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9878 4.3327 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 3.6041 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6393 0.4132 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0722 -1.4109 0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 -2.2903 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4656 0.7525 -1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0112 -0.4650 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3014 2.1474 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8831 2.2282 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6298 -0.1886 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0873 0.6357 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3704 1.6639 2.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5305 -0.1868 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5980 1.1659 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9566 -0.8862 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6283 -1.1425 3.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3777 0.3681 3.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0184 -1.2079 4.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1717 0.1372 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4659 0.1452 2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3157 -2.2994 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8530 -1.4288 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4461 -2.3760 3.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.8465 -2.3566 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3439 -3.2332 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5597 -5.1760 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2625 -7.4045 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8635 -5.1774 3.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7325 -4.3614 5.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5626 -6.0820 6.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1836 -5.4786 5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5789 -7.2371 2.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8712 2.8952 2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9200 2.6703 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4614 5.4672 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7245 5.1148 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8122 4.7574 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4386 3.3975 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1484 3.3747 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9918 4.4011 2.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4673 2.8465 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7201 5.3259 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2050 3.2901 -4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7603 1.4620 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4523 3.0719 -5.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3249 -0.0681 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3254 -0.8642 -1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3349 0.5890 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.3471 2.8320 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4165 3.6281 -3.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9716 2.3851 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2618 -0.4941 -4.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8390 1.1711 -5.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7372 0.3621 -4.8647 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5402 -0.6010 2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3693 2.0447 2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8931 1.2084 4.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8400 -0.8649 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9581 1.6849 3.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3635 2.2927 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9620 2.5354 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4742 3.3310 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8832 0.5506 4.1117 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
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
9 20 1 0
20 21 1 0
21 22 2 0
21 23 1 0
23 24 1 0
24 25 1 0
25 26 2 0
25 27 1 0
27 28 1 0
23 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
36 41 1 0
41 42 2 0
41 43 1 0
43 44 1 0
44 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
51 52 1 0
51 53 1 0
53 54 1 0
54 55 2 0
54 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
57 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
66 67 2 0
66 68 1 0
65 69 1 0
69 70 1 0
69 71 1 0
53 72 1 0
72 73 1 0
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
76 78 1 0
75 79 1 0
79 80 1 0
80 81 2 0
80 82 1 0
82 83 1 0
83 84 1 0
84 85 2 0
85 86 1 0
86 87 2 0
87 88 1 0
88 89 2 0
82 90 1 0
90 91 1 0
91 92 2 0
91 93 1 0
93 94 1 0
94 95 1 0
95 96 2 0
32 97 1 0
97 98 1 0
98 99 2 0
98100 1 0
100101 1 0
101102 1 0
102103 2 0
102104 1 0
104105 1 0
104106 1 0
106107 1 0
107108 2 0
107 5 1 0
19 11 1 0
95 48 1 0
19 14 1 0
89 84 1 0
1109 1 0
1110 1 0
1111 1 0
2112 1 0
2113 1 0
3114 1 1
4115 1 0
4116 1 0
4117 1 0
5118 1 6
6119 1 0
9120 1 6
10121 1 0
10122 1 0
12123 1 0
13124 1 0
15125 1 0
16126 1 0
17127 1 0
18128 1 0
20129 1 0
23130 1 6
24131 1 0
27132 1 0
27133 1 0
28134 1 0
28135 1 0
29136 1 0
29137 1 0
31138 1 0
31139 1 0
32140 1 1
35141 1 0
36142 1 1
37143 1 0
37144 1 0
38145 1 0
38146 1 0
39147 1 0
39148 1 0
40149 1 0
40150 1 0
43151 1 0
44152 1 0
44153 1 0
47154 1 0
48155 1 1
49156 1 0
49157 1 0
51158 1 6
52159 1 0
52160 1 0
52161 1 0
53162 1 6
56163 1 0
57164 1 1
58165 1 0
58166 1 0
59167 1 0
59168 1 0
60169 1 0
60170 1 0
61171 1 0
61172 1 0
64173 1 0
65174 1 6
68175 1 0
69176 1 6
70177 1 0
70178 1 0
70179 1 0
71180 1 0
72181 1 0
75182 1 6
76183 1 1
77184 1 0
77185 1 0
77186 1 0
78187 1 0
78188 1 0
78189 1 0
79190 1 0
82191 1 6
83192 1 0
83193 1 0
85194 1 0
86195 1 0
87196 1 0
88197 1 0
89198 1 0
90199 1 0
93200 1 0
93201 1 0
94202 1 0
97203 1 0
100204 1 0
100205 1 0
101206 1 0
104207 1 1
105208 1 0
105209 1 0
105210 1 0
106211 1 0
M END
PDB for NP0021053 (Landornamide A)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 15.849 1.405 2.569 0.00 0.00 C+0 HETATM 2 C UNK 0 14.464 1.187 2.032 0.00 0.00 C+0 HETATM 3 C UNK 0 14.339 -0.137 1.353 0.00 0.00 C+0 HETATM 4 C UNK 0 15.235 -0.315 0.182 0.00 0.00 C+0 HETATM 5 C UNK 0 12.866 -0.482 1.030 0.00 0.00 C+0 HETATM 6 N UNK 0 12.780 -1.757 0.367 0.00 0.00 N+0 HETATM 7 C UNK 0 12.684 -2.149 -0.975 0.00 0.00 C+0 HETATM 8 O UNK 0 13.875 -2.560 -1.421 0.00 0.00 O+0 HETATM 9 C UNK 0 11.572 -2.198 -1.919 0.00 0.00 C+0 HETATM 10 C UNK 0 10.964 -1.016 -2.536 0.00 0.00 C+0 HETATM 11 C UNK 0 11.919 -0.195 -3.367 0.00 0.00 C+0 HETATM 12 C UNK 0 12.356 -0.588 -4.644 0.00 0.00 C+0 HETATM 13 N UNK 0 13.277 0.296 -5.016 0.00 0.00 N+0 HETATM 14 C UNK 0 13.478 1.238 -4.088 0.00 0.00 C+0 HETATM 15 C UNK 0 14.261 2.361 -3.971 0.00 0.00 C+0 HETATM 16 C UNK 0 14.211 3.181 -2.864 0.00 0.00 C+0 HETATM 17 C UNK 0 13.358 2.890 -1.825 0.00 0.00 C+0 HETATM 18 C UNK 0 12.573 1.764 -1.934 0.00 0.00 C+0 HETATM 19 C UNK 0 12.621 0.931 -3.048 0.00 0.00 C+0 HETATM 20 N UNK 0 10.687 -3.350 -1.710 0.00 0.00 N+0 HETATM 21 C UNK 0 9.339 -3.538 -1.737 0.00 0.00 C+0 HETATM 22 O UNK 0 8.880 -4.188 -2.786 0.00 0.00 O+0 HETATM 23 C UNK 0 8.233 -3.160 -0.813 0.00 0.00 C+0 HETATM 24 N UNK 0 8.574 -3.281 0.582 0.00 0.00 N+0 HETATM 25 C UNK 0 7.962 -4.249 1.389 0.00 0.00 C+0 HETATM 26 O UNK 0 7.096 -5.013 0.869 0.00 0.00 O+0 HETATM 27 C UNK 0 8.269 -4.439 2.832 0.00 0.00 C+0 HETATM 28 N UNK 0 7.457 -5.535 3.371 0.00 0.00 N+0 HETATM 29 C UNK 0 7.551 -1.890 -1.198 0.00 0.00 C+0 HETATM 30 S UNK 0 6.238 -1.397 -0.044 0.00 0.00 S+0 HETATM 31 C UNK 0 6.096 0.386 0.050 0.00 0.00 C+0 HETATM 32 C UNK 0 5.161 0.839 1.093 0.00 0.00 C+0 HETATM 33 C UNK 0 3.770 0.920 0.595 0.00 0.00 C+0 HETATM 34 O UNK 0 2.836 1.353 1.362 0.00 0.00 O+0 HETATM 35 N UNK 0 3.378 0.543 -0.703 0.00 0.00 N+0 HETATM 36 C UNK 0 1.982 0.706 -1.127 0.00 0.00 C+0 HETATM 37 C UNK 0 1.805 0.632 -2.604 0.00 0.00 C+0 HETATM 38 C UNK 0 2.563 1.630 -3.409 0.00 0.00 C+0 HETATM 39 C UNK 0 2.256 3.065 -3.137 0.00 0.00 C+0 HETATM 40 N UNK 0 2.508 3.495 -1.799 0.00 0.00 N+0 HETATM 41 C UNK 0 1.121 -0.359 -0.474 0.00 0.00 C+0 HETATM 42 O UNK 0 1.659 -1.210 0.232 0.00 0.00 O+0 HETATM 43 N UNK 0 -0.296 -0.347 -0.687 0.00 0.00 N+0 HETATM 44 C UNK 0 -1.205 -1.276 -0.102 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.613 -0.963 -0.477 0.00 0.00 C+0 HETATM 46 O UNK 0 -3.450 -1.801 0.075 0.00 0.00 O+0 HETATM 47 N UNK 0 -3.069 0.060 -1.289 0.00 0.00 N+0 HETATM 48 C UNK 0 -4.517 0.232 -1.540 0.00 0.00 C+0 HETATM 49 C UNK 0 -4.880 1.659 -1.397 0.00 0.00 C+0 HETATM 50 S UNK 0 -5.767 2.105 0.101 0.00 0.00 S+0 HETATM 51 C UNK 0 -6.709 0.815 0.886 0.00 0.00 C+0 HETATM 52 C UNK 0 -6.208 0.732 2.348 0.00 0.00 C+0 HETATM 53 C UNK 0 -8.160 1.293 0.969 0.00 0.00 C+0 HETATM 54 C UNK 0 -8.842 0.483 2.017 0.00 0.00 C+0 HETATM 55 O UNK 0 -8.616 0.778 3.211 0.00 0.00 O+0 HETATM 56 N UNK 0 -9.714 -0.572 1.716 0.00 0.00 N+0 HETATM 57 C UNK 0 -10.358 -1.316 2.787 0.00 0.00 C+0 HETATM 58 C UNK 0 -11.643 -0.654 3.182 0.00 0.00 C+0 HETATM 59 C UNK 0 -12.600 -0.510 2.076 0.00 0.00 C+0 HETATM 60 C UNK 0 -13.118 -1.754 1.429 0.00 0.00 C+0 HETATM 61 N UNK 0 -13.809 -2.554 2.402 0.00 0.00 N+0 HETATM 62 C UNK 0 -10.382 -2.732 2.558 0.00 0.00 C+0 HETATM 63 O UNK 0 -9.880 -3.206 1.467 0.00 0.00 O+0 HETATM 64 N UNK 0 -10.938 -3.636 3.512 0.00 0.00 N+0 HETATM 65 C UNK 0 -10.905 -5.052 3.207 0.00 0.00 C+0 HETATM 66 C UNK 0 -12.150 -5.772 3.445 0.00 0.00 C+0 HETATM 67 O UNK 0 -13.153 -5.143 3.937 0.00 0.00 O+0 HETATM 68 O UNK 0 -12.349 -7.106 3.180 0.00 0.00 O+0 HETATM 69 C UNK 0 -9.823 -5.682 4.087 0.00 0.00 C+0 HETATM 70 C UNK 0 -10.102 -5.370 5.519 0.00 0.00 C+0 HETATM 71 O UNK 0 -9.793 -7.029 3.834 0.00 0.00 O+0 HETATM 72 N UNK 0 -8.127 2.678 1.404 0.00 0.00 N+0 HETATM 73 C UNK 0 -8.435 3.764 0.560 0.00 0.00 C+0 HETATM 74 O UNK 0 -7.724 4.797 0.606 0.00 0.00 O+0 HETATM 75 C UNK 0 -9.612 3.701 -0.403 0.00 0.00 C+0 HETATM 76 C UNK 0 -10.764 4.426 0.323 0.00 0.00 C+0 HETATM 77 C UNK 0 -11.996 4.417 -0.535 0.00 0.00 C+0 HETATM 78 C UNK 0 -11.101 3.741 1.623 0.00 0.00 C+0 HETATM 79 N UNK 0 -9.236 4.393 -1.592 0.00 0.00 N+0 HETATM 80 C UNK 0 -9.428 4.070 -2.933 0.00 0.00 C+0 HETATM 81 O UNK 0 -10.075 4.896 -3.683 0.00 0.00 O+0 HETATM 82 C UNK 0 -8.965 2.853 -3.648 0.00 0.00 C+0 HETATM 83 C UNK 0 -10.074 2.261 -4.409 0.00 0.00 C+0 HETATM 84 C UNK 0 -11.265 1.837 -3.648 0.00 0.00 C+0 HETATM 85 C UNK 0 -11.216 0.561 -3.096 0.00 0.00 C+0 HETATM 86 C UNK 0 -12.320 0.126 -2.409 0.00 0.00 C+0 HETATM 87 C UNK 0 -13.446 0.907 -2.256 0.00 0.00 C+0 HETATM 88 C UNK 0 -13.485 2.177 -2.811 0.00 0.00 C+0 HETATM 89 C UNK 0 -12.399 2.621 -3.495 0.00 0.00 C+0 HETATM 90 N UNK 0 -8.166 2.003 -2.834 0.00 0.00 N+0 HETATM 91 C UNK 0 -7.577 0.771 -3.118 0.00 0.00 C+0 HETATM 92 O UNK 0 -7.769 -0.177 -2.268 0.00 0.00 O+0 HETATM 93 C UNK 0 -6.759 0.412 -4.275 0.00 0.00 C+0 HETATM 94 N UNK 0 -5.367 0.139 -4.008 0.00 0.00 N+0 HETATM 95 C UNK 0 -4.726 -0.356 -2.892 0.00 0.00 C+0 HETATM 96 O UNK 0 -4.199 -1.533 -2.993 0.00 0.00 O+0 HETATM 97 N UNK 0 5.226 0.212 2.386 0.00 0.00 N+0 HETATM 98 C UNK 0 6.073 0.545 3.464 0.00 0.00 C+0 HETATM 99 O UNK 0 5.618 0.386 4.651 0.00 0.00 O+0 HETATM 100 C UNK 0 7.446 1.066 3.338 0.00 0.00 C+0 HETATM 101 N UNK 0 8.222 0.121 2.568 0.00 0.00 N+0 HETATM 102 C UNK 0 9.450 0.429 1.932 0.00 0.00 C+0 HETATM 103 O UNK 0 9.676 0.030 0.733 0.00 0.00 O+0 HETATM 104 C UNK 0 10.486 1.215 2.648 0.00 0.00 C+0 HETATM 105 C UNK 0 10.888 2.362 1.779 0.00 0.00 C+0 HETATM 106 N UNK 0 11.569 0.385 3.103 0.00 0.00 N+0 HETATM 107 C UNK 0 12.250 -0.617 2.408 0.00 0.00 C+0 HETATM 108 O UNK 0 12.400 -1.777 2.931 0.00 0.00 O+0 HETATM 109 H UNK 0 16.638 0.888 2.035 0.00 0.00 H+0 HETATM 110 H UNK 0 16.110 2.511 2.505 0.00 0.00 H+0 HETATM 111 H UNK 0 15.892 1.211 3.682 0.00 0.00 H+0 HETATM 112 H UNK 0 14.242 2.017 1.307 0.00 0.00 H+0 HETATM 113 H UNK 0 13.778 1.262 2.900 0.00 0.00 H+0 HETATM 114 H UNK 0 14.678 -0.898 2.131 0.00 0.00 H+0 HETATM 115 H UNK 0 15.730 -1.311 0.173 0.00 0.00 H+0 HETATM 116 H UNK 0 14.689 -0.082 -0.761 0.00 0.00 H+0 HETATM 117 H UNK 0 16.056 0.420 0.223 0.00 0.00 H+0 HETATM 118 H UNK 0 12.368 0.352 0.575 0.00 0.00 H+0 HETATM 119 H UNK 0 12.826 -2.579 1.094 0.00 0.00 H+0 HETATM 120 H UNK 0 12.167 -2.594 -2.912 0.00 0.00 H+0 HETATM 121 H UNK 0 10.497 -0.294 -1.840 0.00 0.00 H+0 HETATM 122 H UNK 0 10.142 -1.269 -3.265 0.00 0.00 H+0 HETATM 123 H UNK 0 11.969 -1.458 -5.178 0.00 0.00 H+0 HETATM 124 H UNK 0 13.810 0.298 -5.927 0.00 0.00 H+0 HETATM 125 H UNK 0 14.945 2.597 -4.778 0.00 0.00 H+0 HETATM 126 H UNK 0 14.849 4.072 -2.794 0.00 0.00 H+0 HETATM 127 H UNK 0 13.273 3.489 -0.941 0.00 0.00 H+0 HETATM 128 H UNK 0 11.852 1.486 -1.179 0.00 0.00 H+0 HETATM 129 H UNK 0 11.278 -4.245 -1.515 0.00 0.00 H+0 HETATM 130 H UNK 0 7.386 -3.936 -0.933 0.00 0.00 H+0 HETATM 131 H UNK 0 9.294 -2.629 0.975 0.00 0.00 H+0 HETATM 132 H UNK 0 9.360 -4.678 2.934 0.00 0.00 H+0 HETATM 133 H UNK 0 7.984 -3.529 3.387 0.00 0.00 H+0 HETATM 134 H UNK 0 7.815 -6.446 2.985 0.00 0.00 H+0 HETATM 135 H UNK 0 7.627 -5.558 4.389 0.00 0.00 H+0 HETATM 136 H UNK 0 7.045 -1.984 -2.203 0.00 0.00 H+0 HETATM 137 H UNK 0 8.248 -1.056 -1.307 0.00 0.00 H+0 HETATM 138 H UNK 0 7.118 0.874 0.142 0.00 0.00 H+0 HETATM 139 H UNK 0 5.751 0.788 -0.948 0.00 0.00 H+0 HETATM 140 H UNK 0 5.412 1.967 1.277 0.00 0.00 H+0 HETATM 141 H UNK 0 3.989 0.131 -1.440 0.00 0.00 H+0 HETATM 142 H UNK 0 1.605 1.647 -0.706 0.00 0.00 H+0 HETATM 143 H UNK 0 0.709 0.727 -2.818 0.00 0.00 H+0 HETATM 144 H UNK 0 2.040 -0.418 -2.962 0.00 0.00 H+0 HETATM 145 H UNK 0 2.327 1.448 -4.487 0.00 0.00 H+0 HETATM 146 H UNK 0 3.672 1.428 -3.336 0.00 0.00 H+0 HETATM 147 H UNK 0 1.218 3.342 -3.401 0.00 0.00 H+0 HETATM 148 H UNK 0 2.946 3.664 -3.805 0.00 0.00 H+0 HETATM 149 H UNK 0 1.988 4.333 -1.503 0.00 0.00 H+0 HETATM 150 H UNK 0 3.522 3.604 -1.603 0.00 0.00 H+0 HETATM 151 H UNK 0 -0.639 0.413 -1.319 0.00 0.00 H+0 HETATM 152 H UNK 0 -1.072 -1.411 0.991 0.00 0.00 H+0 HETATM 153 H UNK 0 -0.969 -2.290 -0.535 0.00 0.00 H+0 HETATM 154 H UNK 0 -2.466 0.753 -1.757 0.00 0.00 H+0 HETATM 155 H UNK 0 -5.011 -0.465 -0.812 0.00 0.00 H+0 HETATM 156 H UNK 0 -5.301 2.147 -2.307 0.00 0.00 H+0 HETATM 157 H UNK 0 -3.883 2.228 -1.301 0.00 0.00 H+0 HETATM 158 H UNK 0 -6.630 -0.189 0.475 0.00 0.00 H+0 HETATM 159 H UNK 0 -5.087 0.636 2.243 0.00 0.00 H+0 HETATM 160 H UNK 0 -6.370 1.664 2.879 0.00 0.00 H+0 HETATM 161 H UNK 0 -6.531 -0.187 2.839 0.00 0.00 H+0 HETATM 162 H UNK 0 -8.598 1.166 -0.015 0.00 0.00 H+0 HETATM 163 H UNK 0 -9.957 -0.886 0.748 0.00 0.00 H+0 HETATM 164 H UNK 0 -9.628 -1.143 3.679 0.00 0.00 H+0 HETATM 165 H UNK 0 -11.378 0.368 3.585 0.00 0.00 H+0 HETATM 166 H UNK 0 -12.018 -1.208 4.074 0.00 0.00 H+0 HETATM 167 H UNK 0 -12.172 0.137 1.234 0.00 0.00 H+0 HETATM 168 H UNK 0 -13.466 0.145 2.419 0.00 0.00 H+0 HETATM 169 H UNK 0 -12.316 -2.299 0.928 0.00 0.00 H+0 HETATM 170 H UNK 0 -13.853 -1.429 0.610 0.00 0.00 H+0 HETATM 171 H UNK 0 -13.446 -2.376 3.349 0.00 0.00 H+0 HETATM 172 H UNK 0 -14.847 -2.357 2.324 0.00 0.00 H+0 HETATM 173 H UNK 0 -11.344 -3.233 4.382 0.00 0.00 H+0 HETATM 174 H UNK 0 -10.560 -5.176 2.151 0.00 0.00 H+0 HETATM 175 H UNK 0 -12.262 -7.404 2.212 0.00 0.00 H+0 HETATM 176 H UNK 0 -8.864 -5.177 3.772 0.00 0.00 H+0 HETATM 177 H UNK 0 -9.732 -4.361 5.815 0.00 0.00 H+0 HETATM 178 H UNK 0 -9.563 -6.082 6.180 0.00 0.00 H+0 HETATM 179 H UNK 0 -11.184 -5.479 5.771 0.00 0.00 H+0 HETATM 180 H UNK 0 -9.579 -7.237 2.897 0.00 0.00 H+0 HETATM 181 H UNK 0 -7.871 2.895 2.391 0.00 0.00 H+0 HETATM 182 H UNK 0 -9.920 2.670 -0.519 0.00 0.00 H+0 HETATM 183 H UNK 0 -10.461 5.467 0.580 0.00 0.00 H+0 HETATM 184 H UNK 0 -12.725 5.115 -0.026 0.00 0.00 H+0 HETATM 185 H UNK 0 -11.812 4.757 -1.552 0.00 0.00 H+0 HETATM 186 H UNK 0 -12.439 3.397 -0.439 0.00 0.00 H+0 HETATM 187 H UNK 0 -12.148 3.375 1.646 0.00 0.00 H+0 HETATM 188 H UNK 0 -10.992 4.401 2.515 0.00 0.00 H+0 HETATM 189 H UNK 0 -10.467 2.846 1.825 0.00 0.00 H+0 HETATM 190 H UNK 0 -8.720 5.326 -1.419 0.00 0.00 H+0 HETATM 191 H UNK 0 -8.205 3.290 -4.408 0.00 0.00 H+0 HETATM 192 H UNK 0 -9.760 1.462 -5.127 0.00 0.00 H+0 HETATM 193 H UNK 0 -10.452 3.072 -5.111 0.00 0.00 H+0 HETATM 194 H UNK 0 -10.325 -0.068 -3.216 0.00 0.00 H+0 HETATM 195 H UNK 0 -12.325 -0.864 -1.968 0.00 0.00 H+0 HETATM 196 H UNK 0 -14.335 0.589 -1.715 0.00 0.00 H+0 HETATM 197 H UNK 0 -14.347 2.832 -2.718 0.00 0.00 H+0 HETATM 198 H UNK 0 -12.416 3.628 -3.960 0.00 0.00 H+0 HETATM 199 H UNK 0 -7.972 2.385 -1.860 0.00 0.00 H+0 HETATM 200 H UNK 0 -7.262 -0.494 -4.734 0.00 0.00 H+0 HETATM 201 H UNK 0 -6.839 1.171 -5.095 0.00 0.00 H+0 HETATM 202 H UNK 0 -4.737 0.362 -4.865 0.00 0.00 H+0 HETATM 203 H UNK 0 4.540 -0.601 2.521 0.00 0.00 H+0 HETATM 204 H UNK 0 7.369 2.045 2.799 0.00 0.00 H+0 HETATM 205 H UNK 0 7.893 1.208 4.343 0.00 0.00 H+0 HETATM 206 H UNK 0 7.840 -0.865 2.466 0.00 0.00 H+0 HETATM 207 H UNK 0 9.958 1.685 3.542 0.00 0.00 H+0 HETATM 208 H UNK 0 10.364 2.293 0.786 0.00 0.00 H+0 HETATM 209 H UNK 0 11.962 2.535 1.672 0.00 0.00 H+0 HETATM 210 H UNK 0 10.474 3.331 2.202 0.00 0.00 H+0 HETATM 211 H UNK 0 11.883 0.551 4.112 0.00 0.00 H+0 CONECT 1 2 109 110 111 CONECT 2 1 3 112 113 CONECT 3 2 4 5 114 CONECT 4 3 115 116 117 CONECT 5 3 6 107 118 CONECT 6 5 7 119 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 20 120 CONECT 10 9 11 121 122 CONECT 11 10 12 19 CONECT 12 11 13 123 CONECT 13 12 14 124 CONECT 14 13 15 19 CONECT 15 14 16 125 CONECT 16 15 17 126 CONECT 17 16 18 127 CONECT 18 17 19 128 CONECT 19 18 11 14 CONECT 20 9 21 129 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 29 130 CONECT 24 23 25 131 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 132 133 CONECT 28 27 134 135 CONECT 29 23 30 136 137 CONECT 30 29 31 CONECT 31 30 32 138 139 CONECT 32 31 33 97 140 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 141 CONECT 36 35 37 41 142 CONECT 37 36 38 143 144 CONECT 38 37 39 145 146 CONECT 39 38 40 147 148 CONECT 40 39 149 150 CONECT 41 36 42 43 CONECT 42 41 CONECT 43 41 44 151 CONECT 44 43 45 152 153 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 154 CONECT 48 47 49 95 155 CONECT 49 48 50 156 157 CONECT 50 49 51 CONECT 51 50 52 53 158 CONECT 52 51 159 160 161 CONECT 53 51 54 72 162 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 163 CONECT 57 56 58 62 164 CONECT 58 57 59 165 166 CONECT 59 58 60 167 168 CONECT 60 59 61 169 170 CONECT 61 60 171 172 CONECT 62 57 63 64 CONECT 63 62 CONECT 64 62 65 173 CONECT 65 64 66 69 174 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 175 CONECT 69 65 70 71 176 CONECT 70 69 177 178 179 CONECT 71 69 180 CONECT 72 53 73 181 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 79 182 CONECT 76 75 77 78 183 CONECT 77 76 184 185 186 CONECT 78 76 187 188 189 CONECT 79 75 80 190 CONECT 80 79 81 82 CONECT 81 80 CONECT 82 80 83 90 191 CONECT 83 82 84 192 193 CONECT 84 83 85 89 CONECT 85 84 86 194 CONECT 86 85 87 195 CONECT 87 86 88 196 CONECT 88 87 89 197 CONECT 89 88 84 198 CONECT 90 82 91 199 CONECT 91 90 92 93 CONECT 92 91 CONECT 93 91 94 200 201 CONECT 94 93 95 202 CONECT 95 94 96 48 CONECT 96 95 CONECT 97 32 98 203 CONECT 98 97 99 100 CONECT 99 98 CONECT 100 98 101 204 205 CONECT 101 100 102 206 CONECT 102 101 103 104 CONECT 103 102 CONECT 104 102 105 106 207 CONECT 105 104 208 209 210 CONECT 106 104 107 211 CONECT 107 106 108 5 CONECT 108 107 CONECT 109 1 CONECT 110 1 CONECT 111 1 CONECT 112 2 CONECT 113 2 CONECT 114 3 CONECT 115 4 CONECT 116 4 CONECT 117 4 CONECT 118 5 CONECT 119 6 CONECT 120 9 CONECT 121 10 CONECT 122 10 CONECT 123 12 CONECT 124 13 CONECT 125 15 CONECT 126 16 CONECT 127 17 CONECT 128 18 CONECT 129 20 CONECT 130 23 CONECT 131 24 CONECT 132 27 CONECT 133 27 CONECT 134 28 CONECT 135 28 CONECT 136 29 CONECT 137 29 CONECT 138 31 CONECT 139 31 CONECT 140 32 CONECT 141 35 CONECT 142 36 CONECT 143 37 CONECT 144 37 CONECT 145 38 CONECT 146 38 CONECT 147 39 CONECT 148 39 CONECT 149 40 CONECT 150 40 CONECT 151 43 CONECT 152 44 CONECT 153 44 CONECT 154 47 CONECT 155 48 CONECT 156 49 CONECT 157 49 CONECT 158 51 CONECT 159 52 CONECT 160 52 CONECT 161 52 CONECT 162 53 CONECT 163 56 CONECT 164 57 CONECT 165 58 CONECT 166 58 CONECT 167 59 CONECT 168 59 CONECT 169 60 CONECT 170 60 CONECT 171 61 CONECT 172 61 CONECT 173 64 CONECT 174 65 CONECT 175 68 CONECT 176 69 CONECT 177 70 CONECT 178 70 CONECT 179 70 CONECT 180 71 CONECT 181 72 CONECT 182 75 CONECT 183 76 CONECT 184 77 CONECT 185 77 CONECT 186 77 CONECT 187 78 CONECT 188 78 CONECT 189 78 CONECT 190 79 CONECT 191 82 CONECT 192 83 CONECT 193 83 CONECT 194 85 CONECT 195 86 CONECT 196 87 CONECT 197 88 CONECT 198 89 CONECT 199 90 CONECT 200 93 CONECT 201 93 CONECT 202 94 CONECT 203 97 CONECT 204 100 CONECT 205 100 CONECT 206 101 CONECT 207 104 CONECT 208 105 CONECT 209 105 CONECT 210 105 CONECT 211 106 MASTER 0 0 0 0 0 0 0 0 211 0 430 0 END SMILES for NP0021053 (Landornamide A)[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])SC2([H])[H])C([H])([H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])S[C@@]1([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[C@]([H])(O[H])C([H])([H])[H] INCHI for NP0021053 (Landornamide A)InChI=1S/C69H103N19O18S2/c1-8-35(4)55-67(103)77-36(5)58(94)74-28-52(92)80-48(32-107-31-47(79-50(90)26-72)65(101)84-46(63(99)86-55)25-40-27-73-42-19-13-12-18-41(40)42)64(100)82-43(20-14-22-70)59(95)75-30-53(93)81-49-33-108-38(7)57(68(104)83-44(21-15-23-71)61(97)87-56(37(6)89)69(105)106)88-66(102)54(34(2)3)85-62(98)45(24-39-16-10-9-11-17-39)78-51(91)29-76-60(49)96/h9-13,16-19,27,34-38,43-49,54-57,73,89H,8,14-15,20-26,28-33,70-72H2,1-7H3,(H,74,94)(H,75,95)(H,76,96)(H,77,103)(H,78,91)(H,79,90)(H,80,92)(H,81,93)(H,82,100)(H,83,104)(H,84,101)(H,85,98)(H,86,99)(H,87,97)(H,88,102)(H,105,106)/t35-,36-,37+,38-,43-,44-,45-,46-,47-,48-,49-,54+,55+,56-,57-/m0/s1 3D Structure for NP0021053 (Landornamide A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C69H103N19O18S2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1550.8200 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1549.71699 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S,3R)-2-[(2S)-5-amino-2-{[(2S,3R,6R,9S,15R)-15-{2-[(2S)-5-amino-2-{[(3R,9S,12R,18R)-18-(2-aminoacetamido)-12-[(2S)-butan-2-yl]-15-[(1H-indol-3-yl)methyl]-9-methyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadecan-3-yl]formamido}pentanamido]acetamido}-9-benzyl-2-methyl-5,8,11,14-tetraoxo-6-(propan-2-yl)-1-thia-4,7,10,13-tetraazacyclohexadecan-3-yl]formamido}pentanamido]-3-hydroxybutanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S,3R)-2-[(2S)-5-amino-2-{[(2S,3R,6R,9S,15R)-15-{2-[(2S)-5-amino-2-{[(3R,9S,12R,18R)-18-(2-aminoacetamido)-12-[(2S)-butan-2-yl]-15-(1H-indol-3-ylmethyl)-9-methyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacyclononadecan-3-yl]formamido}pentanamido]acetamido}-9-benzyl-6-isopropyl-2-methyl-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecan-3-yl]formamido}pentanamido]-3-hydroxybutanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@H](C)[C@H]1NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CSCC(NC(=O)CNC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@H]1CSC(C)C(NC(=O)[C@H](NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC1=O)C(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)CN | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C69H103N19O18S2/c1-8-35(4)55-67(103)77-36(5)58(94)74-28-52(92)80-48(32-107-31-47(79-50(90)26-72)65(101)84-46(63(99)86-55)25-40-27-73-42-19-13-12-18-41(40)42)64(100)82-43(20-14-22-70)59(95)75-30-53(93)81-49-33-108-38(7)57(68(104)83-44(21-15-23-71)61(97)87-56(37(6)89)69(105)106)88-66(102)54(34(2)3)85-62(98)45(24-39-16-10-9-11-17-39)78-51(91)29-76-60(49)96/h9-13,16-19,27,34-38,43-49,54-57,73,89H,8,14-15,20-26,28-33,70-72H2,1-7H3,(H,74,94)(H,75,95)(H,76,96)(H,77,103)(H,78,91)(H,79,90)(H,80,92)(H,81,93)(H,82,100)(H,83,104)(H,84,101)(H,85,98)(H,86,99)(H,87,97)(H,88,102)(H,105,106)/t35-,36-,37+,38?,43-,44-,45-,46-,47-,48?,49-,54+,55+,56-,57?/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ULTOBTMZTQDCLE-DYFGBKDTSA-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 | NPA028538 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | 146684639 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
