Showing NP-Card for Peptidolipin B (NP0010723)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 20:08:43 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:06:53 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0010723 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Peptidolipin B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Peptidolipin B belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Peptidolipin B is found in Nocardia sp. Based on a literature review very few articles have been published on Peptidolipin B. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0010723 (Peptidolipin B)
Mrv1652307012121343D
184185 0 0 0 0 999 V2000
14.2724 -3.7258 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5923 -3.8126 0.9093 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5180 -2.6515 0.7969 C 0 0 1 0 0 0 0 0 0 0 0 0
16.0955 -1.3648 1.3675 C 0 0 2 0 0 0 0 0 0 0 0 0
14.9180 -0.6769 0.7659 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1578 -0.3168 -0.6882 C 0 0 2 0 0 0 0 0 0 0 0 0
13.9928 0.4199 -1.2440 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7366 -0.3712 -1.1999 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5752 0.4285 -1.8011 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3221 1.7106 -1.0637 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9037 1.4622 0.3404 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5838 0.7179 0.4520 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4795 1.5221 -0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4113 2.8721 0.4068 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0596 2.8410 1.8466 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6651 2.3103 2.0833 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7230 3.2658 1.4223 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3076 2.9424 1.6694 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8599 1.6285 1.1497 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0765 1.5011 -0.3055 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4630 0.2267 -0.8519 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9566 0.2529 -0.6639 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3513 -0.9532 -1.3339 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2137 -0.8232 -1.2052 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4845 0.5104 -1.8794 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5791 0.4670 -2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 -0.5930 -3.5871 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5750 1.4323 -3.0855 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5895 1.9109 -2.1531 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6625 0.9999 -0.9441 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6052 1.4038 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0092 -0.3004 -1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4746 3.3377 -1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3634 3.7365 -1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4333 4.3487 -2.0452 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7562 4.4286 -1.4269 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6492 5.5008 -0.3530 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2881 6.8457 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9180 5.5705 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7793 4.7415 -2.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1201 5.9763 -2.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3896 3.8484 -3.3466 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1503 2.6472 -3.0636 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3443 1.3937 -3.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0080 2.7652 -1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0159 3.9290 -1.2903 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8244 1.8108 -1.2504 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.2860 1.8555 -0.9578 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.7147 0.5077 -1.5386 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6616 -0.3640 -0.8541 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.4160 0.5055 -0.7210 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9896 0.6142 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3991 1.7203 1.2484 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2528 -0.2276 1.5017 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2560 -1.6488 1.7102 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5333 -2.2106 2.3051 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3884 -3.7424 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9185 -1.6443 3.6288 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1656 -0.1664 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1129 -2.0182 2.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8986 -1.0804 3.5062 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3372 -3.1428 2.6831 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4175 -3.7312 1.7401 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1878 -4.7563 0.9050 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2868 -5.4238 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7393 -5.8314 1.7974 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7488 -2.7218 0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4952 -1.6992 0.6514 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4556 -2.7720 0.3353 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1860 -2.7078 0.9754 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1832 -3.7445 0.5452 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0523 -3.6801 1.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6626 -5.0654 0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5138 -5.7998 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5449 -1.3373 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0468 -0.4430 1.6800 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5352 -0.9619 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0280 -4.7514 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1682 -3.0294 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4410 -3.5216 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1514 -4.7134 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4845 -4.0561 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4701 -2.9611 1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8845 -2.5201 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9641 -0.6431 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8238 -1.5519 2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0123 -1.2447 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7891 0.2851 1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4376 -1.2204 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0734 0.3528 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2452 0.7053 -2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9096 1.3744 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8583 -1.2569 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5037 -0.7475 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6832 -0.2123 -1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7583 0.6097 -2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2111 2.3998 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5399 2.2511 -1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6593 0.7477 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9526 2.3441 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3138 0.6061 1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6200 -0.2636 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5347 0.9687 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6112 1.5533 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4097 3.4060 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7642 3.5094 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0442 3.9023 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8144 2.2894 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5342 2.2906 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5927 1.2870 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8957 4.3175 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9682 3.2414 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6070 3.7131 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1592 2.9007 2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4144 0.8035 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 1.4879 1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5502 2.3440 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1414 1.5515 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7329 0.0814 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8944 -0.6216 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7673 0.1241 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4907 1.2099 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5894 -1.8845 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 -1.0536 -2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5699 -1.6712 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4251 0.7838 -2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5111 1.2858 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6452 1.8925 -4.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5966 1.7450 -2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 0.8783 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6514 1.3015 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4301 0.7753 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4360 2.4888 0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9485 -0.2673 -1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2042 5.1649 -2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0856 3.5250 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8394 5.1921 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1231 7.5853 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4839 7.2745 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8532 6.8668 -1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2925 4.5625 0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7117 6.0588 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8106 6.1840 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2825 4.0909 -4.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8981 2.5347 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8335 1.1422 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9503 0.5141 -3.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6144 1.5434 -4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8253 2.6286 -1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4638 1.9341 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5146 0.5083 -2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7345 0.2602 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5035 -1.2942 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0432 -0.5319 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6496 0.0103 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4997 0.3066 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1552 -2.1448 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3442 -2.0751 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4273 -4.1145 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7460 -3.9497 3.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0468 -4.1228 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9223 -2.1157 3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2631 -1.9857 4.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2699 0.4499 3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8792 0.0705 2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7631 0.0619 4.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4052 -3.7134 3.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6224 -4.3217 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9869 -4.2569 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1604 -6.5192 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2646 -5.0074 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6630 -5.3382 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8007 -5.5565 2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 -6.7676 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7448 -6.1373 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4310 -2.8615 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3164 -2.8891 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8042 -3.6156 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2923 -3.4624 2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7948 -2.9569 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5328 -4.6752 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4527 -5.8292 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 -6.8450 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1713 -5.3993 -1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 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
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
29 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
37 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 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
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
58 59 1 0 0 0 0
55 60 1 0 0 0 0
60 61 2 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
63 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 73 1 0 0 0 0
73 74 1 0 0 0 0
70 75 1 0 0 0 0
75 76 2 0 0 0 0
75 77 1 0 0 0 0
77 24 1 0 0 0 0
51 47 1 0 0 0 0
1 78 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
2 81 1 0 0 0 0
2 82 1 0 0 0 0
3 83 1 0 0 0 0
3 84 1 0 0 0 0
4 85 1 0 0 0 0
4 86 1 0 0 0 0
5 87 1 0 0 0 0
5 88 1 0 0 0 0
6 89 1 0 0 0 0
6 90 1 0 0 0 0
7 91 1 0 0 0 0
7 92 1 0 0 0 0
8 93 1 0 0 0 0
8 94 1 0 0 0 0
9 95 1 0 0 0 0
9 96 1 0 0 0 0
10 97 1 0 0 0 0
10 98 1 0 0 0 0
11 99 1 0 0 0 0
11100 1 0 0 0 0
12101 1 0 0 0 0
12102 1 0 0 0 0
13103 1 0 0 0 0
13104 1 0 0 0 0
14105 1 0 0 0 0
14106 1 0 0 0 0
15107 1 0 0 0 0
15108 1 0 0 0 0
16109 1 0 0 0 0
16110 1 0 0 0 0
17111 1 0 0 0 0
17112 1 0 0 0 0
18113 1 0 0 0 0
18114 1 0 0 0 0
19115 1 0 0 0 0
19116 1 0 0 0 0
20117 1 0 0 0 0
20118 1 0 0 0 0
21119 1 0 0 0 0
21120 1 0 0 0 0
22121 1 0 0 0 0
22122 1 0 0 0 0
23123 1 0 0 0 0
23124 1 0 0 0 0
24125 1 6 0 0 0
25126 1 0 0 0 0
25127 1 0 0 0 0
28128 1 0 0 0 0
29129 1 6 0 0 0
30130 1 1 0 0 0
31131 1 0 0 0 0
31132 1 0 0 0 0
31133 1 0 0 0 0
32134 1 0 0 0 0
35135 1 0 0 0 0
36136 1 1 0 0 0
37137 1 1 0 0 0
38138 1 0 0 0 0
38139 1 0 0 0 0
38140 1 0 0 0 0
39141 1 0 0 0 0
39142 1 0 0 0 0
39143 1 0 0 0 0
42144 1 0 0 0 0
43145 1 6 0 0 0
44146 1 0 0 0 0
44147 1 0 0 0 0
44148 1 0 0 0 0
48149 1 0 0 0 0
48150 1 0 0 0 0
49151 1 0 0 0 0
49152 1 0 0 0 0
50153 1 0 0 0 0
50154 1 0 0 0 0
51155 1 6 0 0 0
54156 1 0 0 0 0
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56158 1 6 0 0 0
57159 1 0 0 0 0
57160 1 0 0 0 0
57161 1 0 0 0 0
58162 1 0 0 0 0
58163 1 0 0 0 0
59164 1 0 0 0 0
59165 1 0 0 0 0
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62167 1 0 0 0 0
63168 1 1 0 0 0
64169 1 6 0 0 0
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65172 1 0 0 0 0
66173 1 0 0 0 0
66174 1 0 0 0 0
66175 1 0 0 0 0
69176 1 0 0 0 0
70177 1 1 0 0 0
71178 1 6 0 0 0
72179 1 0 0 0 0
72180 1 0 0 0 0
72181 1 0 0 0 0
74182 1 0 0 0 0
74183 1 0 0 0 0
74184 1 0 0 0 0
M END
3D MOL for NP0010723 (Peptidolipin B)
RDKit 3D
184185 0 0 0 0 0 0 0 0999 V2000
14.2724 -3.7258 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5923 -3.8126 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5180 -2.6515 0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0955 -1.3648 1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9180 -0.6769 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1578 -0.3168 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9928 0.4199 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7366 -0.3712 -1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5752 0.4285 -1.8011 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3221 1.7106 -1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9037 1.4622 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5838 0.7179 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4795 1.5221 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4113 2.8721 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0596 2.8410 1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6651 2.3103 2.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7230 3.2658 1.4223 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3076 2.9424 1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8599 1.6285 1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0765 1.5011 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4630 0.2267 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9566 0.2529 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3513 -0.9532 -1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2137 -0.8232 -1.2052 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4845 0.5104 -1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5791 0.4670 -2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 -0.5930 -3.5871 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5750 1.4323 -3.0855 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5895 1.9109 -2.1531 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6625 0.9999 -0.9441 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6052 1.4038 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0092 -0.3004 -1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4746 3.3377 -1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3634 3.7365 -1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4333 4.3487 -2.0452 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7562 4.4286 -1.4269 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6492 5.5008 -0.3530 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2881 6.8457 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9180 5.5705 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7793 4.7415 -2.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1201 5.9763 -2.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3896 3.8484 -3.3466 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1503 2.6472 -3.0636 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3443 1.3937 -3.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0080 2.7652 -1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0159 3.9290 -1.2903 O 0 0 0 0 0 0 0 0 0 0 0 0
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-11.2860 1.8555 -0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7147 0.5077 -1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6616 -0.3640 -0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4160 0.5055 -0.7210 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9896 0.6142 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3991 1.7203 1.2484 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2528 -0.2276 1.5017 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2560 -1.6488 1.7102 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5333 -2.2106 2.3051 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3884 -3.7424 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9185 -1.6443 3.6288 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1656 -0.1664 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1129 -2.0182 2.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8986 -1.0804 3.5062 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3372 -3.1428 2.6831 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4175 -3.7312 1.7401 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1878 -4.7563 0.9050 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2868 -5.4238 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7393 -5.8314 1.7974 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7488 -2.7218 0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4952 -1.6992 0.6514 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4556 -2.7720 0.3353 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1860 -2.7078 0.9754 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1832 -3.7445 0.5452 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0523 -3.6801 1.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6626 -5.0654 0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5138 -5.7998 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5449 -1.3373 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0468 -0.4430 1.6800 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5352 -0.9619 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0280 -4.7514 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1682 -3.0294 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4410 -3.5216 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1514 -4.7134 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4845 -4.0561 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4701 -2.9611 1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8845 -2.5201 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9641 -0.6431 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8238 -1.5519 2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0123 -1.2447 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7891 0.2851 1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4376 -1.2204 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0734 0.3528 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2452 0.7053 -2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9096 1.3744 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8583 -1.2569 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5037 -0.7475 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6832 -0.2123 -1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7583 0.6097 -2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2111 2.3998 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5399 2.2511 -1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6593 0.7477 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9526 2.3441 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3138 0.6061 1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6200 -0.2636 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5347 0.9687 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6112 1.5533 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4097 3.4060 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7642 3.5094 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0442 3.9023 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8144 2.2894 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5342 2.2906 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5927 1.2870 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8957 4.3175 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9682 3.2414 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6070 3.7131 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1592 2.9007 2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4144 0.8035 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 1.4879 1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5502 2.3440 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1414 1.5515 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7329 0.0814 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8944 -0.6216 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7673 0.1241 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4907 1.2099 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5894 -1.8845 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 -1.0536 -2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5699 -1.6712 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4251 0.7838 -2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5111 1.2858 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6452 1.8925 -4.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5966 1.7450 -2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 0.8783 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6514 1.3015 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4301 0.7753 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4360 2.4888 0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9485 -0.2673 -1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2042 5.1649 -2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0856 3.5250 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8394 5.1921 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1231 7.5853 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4839 7.2745 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8532 6.8668 -1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2925 4.5625 0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7117 6.0588 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8106 6.1840 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2825 4.0909 -4.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8981 2.5347 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8335 1.1422 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9503 0.5141 -3.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6144 1.5434 -4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8253 2.6286 -1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4638 1.9341 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5146 0.5083 -2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7345 0.2602 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5035 -1.2942 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0432 -0.5319 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6496 0.0103 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4997 0.3066 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1552 -2.1448 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3442 -2.0751 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4273 -4.1145 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7460 -3.9497 3.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0468 -4.1228 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9223 -2.1157 3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2631 -1.9857 4.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2699 0.4499 3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8792 0.0705 2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7631 0.0619 4.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4052 -3.7134 3.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6224 -4.3217 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9869 -4.2569 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1604 -6.5192 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2646 -5.0074 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6630 -5.3382 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8007 -5.5565 2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 -6.7676 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7448 -6.1373 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4310 -2.8615 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3164 -2.8891 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8042 -3.6156 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2923 -3.4624 2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7948 -2.9569 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5328 -4.6752 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4527 -5.8292 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 -6.8450 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1713 -5.3993 -1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
26 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
30 32 1 0
29 33 1 0
33 34 2 0
33 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 1 0
36 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
43 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
52 53 2 0
52 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
56 58 1 0
58 59 1 0
55 60 1 0
60 61 2 0
60 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
64 66 1 0
63 67 1 0
67 68 2 0
67 69 1 0
69 70 1 0
70 71 1 0
71 72 1 0
71 73 1 0
73 74 1 0
70 75 1 0
75 76 2 0
75 77 1 0
77 24 1 0
51 47 1 0
1 78 1 0
1 79 1 0
1 80 1 0
2 81 1 0
2 82 1 0
3 83 1 0
3 84 1 0
4 85 1 0
4 86 1 0
5 87 1 0
5 88 1 0
6 89 1 0
6 90 1 0
7 91 1 0
7 92 1 0
8 93 1 0
8 94 1 0
9 95 1 0
9 96 1 0
10 97 1 0
10 98 1 0
11 99 1 0
11100 1 0
12101 1 0
12102 1 0
13103 1 0
13104 1 0
14105 1 0
14106 1 0
15107 1 0
15108 1 0
16109 1 0
16110 1 0
17111 1 0
17112 1 0
18113 1 0
18114 1 0
19115 1 0
19116 1 0
20117 1 0
20118 1 0
21119 1 0
21120 1 0
22121 1 0
22122 1 0
23123 1 0
23124 1 0
24125 1 6
25126 1 0
25127 1 0
28128 1 0
29129 1 6
30130 1 1
31131 1 0
31132 1 0
31133 1 0
32134 1 0
35135 1 0
36136 1 1
37137 1 1
38138 1 0
38139 1 0
38140 1 0
39141 1 0
39142 1 0
39143 1 0
42144 1 0
43145 1 6
44146 1 0
44147 1 0
44148 1 0
48149 1 0
48150 1 0
49151 1 0
49152 1 0
50153 1 0
50154 1 0
51155 1 6
54156 1 0
55157 1 6
56158 1 6
57159 1 0
57160 1 0
57161 1 0
58162 1 0
58163 1 0
59164 1 0
59165 1 0
59166 1 0
62167 1 0
63168 1 1
64169 1 6
65170 1 0
65171 1 0
65172 1 0
66173 1 0
66174 1 0
66175 1 0
69176 1 0
70177 1 1
71178 1 6
72179 1 0
72180 1 0
72181 1 0
74182 1 0
74183 1 0
74184 1 0
M END
3D SDF for NP0010723 (Peptidolipin B)
Mrv1652307012121343D
184185 0 0 0 0 999 V2000
14.2724 -3.7258 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5923 -3.8126 0.9093 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5180 -2.6515 0.7969 C 0 0 1 0 0 0 0 0 0 0 0 0
16.0955 -1.3648 1.3675 C 0 0 2 0 0 0 0 0 0 0 0 0
14.9180 -0.6769 0.7659 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1578 -0.3168 -0.6882 C 0 0 2 0 0 0 0 0 0 0 0 0
13.9928 0.4199 -1.2440 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7366 -0.3712 -1.1999 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5752 0.4285 -1.8011 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3221 1.7106 -1.0637 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9037 1.4622 0.3404 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5838 0.7179 0.4520 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4795 1.5221 -0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4113 2.8721 0.4068 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0596 2.8410 1.8466 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6651 2.3103 2.0833 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7230 3.2658 1.4223 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3076 2.9424 1.6694 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8599 1.6285 1.1497 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0765 1.5011 -0.3055 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4630 0.2267 -0.8519 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9566 0.2529 -0.6639 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3513 -0.9532 -1.3339 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2137 -0.8232 -1.2052 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4845 0.5104 -1.8794 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5791 0.4670 -2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 -0.5930 -3.5871 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5750 1.4323 -3.0855 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5895 1.9109 -2.1531 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6625 0.9999 -0.9441 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6052 1.4038 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0092 -0.3004 -1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4746 3.3377 -1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3634 3.7365 -1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4333 4.3487 -2.0452 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7562 4.4286 -1.4269 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6492 5.5008 -0.3530 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2881 6.8457 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9180 5.5705 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7793 4.7415 -2.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1201 5.9763 -2.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3896 3.8484 -3.3466 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1503 2.6472 -3.0636 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3443 1.3937 -3.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0080 2.7652 -1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0159 3.9290 -1.2903 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8244 1.8108 -1.2504 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.2860 1.8555 -0.9578 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.7147 0.5077 -1.5386 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6616 -0.3640 -0.8541 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.4160 0.5055 -0.7210 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9896 0.6142 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3991 1.7203 1.2484 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2528 -0.2276 1.5017 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2560 -1.6488 1.7102 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5333 -2.2106 2.3051 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3884 -3.7424 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9185 -1.6443 3.6288 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1656 -0.1664 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1129 -2.0182 2.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8986 -1.0804 3.5062 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3372 -3.1428 2.6831 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4175 -3.7312 1.7401 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1878 -4.7563 0.9050 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2868 -5.4238 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7393 -5.8314 1.7974 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7488 -2.7218 0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4952 -1.6992 0.6514 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4556 -2.7720 0.3353 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1860 -2.7078 0.9754 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1832 -3.7445 0.5452 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0523 -3.6801 1.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6626 -5.0654 0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5138 -5.7998 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5449 -1.3373 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0468 -0.4430 1.6800 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5352 -0.9619 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0280 -4.7514 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1682 -3.0294 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4410 -3.5216 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1514 -4.7134 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4845 -4.0561 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4701 -2.9611 1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8845 -2.5201 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9641 -0.6431 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8238 -1.5519 2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0123 -1.2447 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7891 0.2851 1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4376 -1.2204 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0734 0.3528 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2452 0.7053 -2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9096 1.3744 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8583 -1.2569 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5037 -0.7475 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6832 -0.2123 -1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7583 0.6097 -2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2111 2.3998 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5399 2.2511 -1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6593 0.7477 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9526 2.3441 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3138 0.6061 1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6200 -0.2636 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5347 0.9687 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6112 1.5533 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4097 3.4060 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7642 3.5094 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0442 3.9023 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8144 2.2894 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5342 2.2906 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5927 1.2870 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8957 4.3175 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9682 3.2414 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6070 3.7131 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1592 2.9007 2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4144 0.8035 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 1.4879 1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5502 2.3440 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1414 1.5515 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7329 0.0814 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8944 -0.6216 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7673 0.1241 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4907 1.2099 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5894 -1.8845 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 -1.0536 -2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5699 -1.6712 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4251 0.7838 -2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5111 1.2858 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6452 1.8925 -4.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5966 1.7450 -2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 0.8783 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6514 1.3015 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4301 0.7753 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4360 2.4888 0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9485 -0.2673 -1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2042 5.1649 -2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0856 3.5250 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8394 5.1921 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1231 7.5853 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4839 7.2745 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8532 6.8668 -1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2925 4.5625 0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7117 6.0588 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8106 6.1840 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2825 4.0909 -4.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8981 2.5347 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8335 1.1422 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9503 0.5141 -3.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6144 1.5434 -4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8253 2.6286 -1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4638 1.9341 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5146 0.5083 -2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.7345 0.2602 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5035 -1.2942 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0432 -0.5319 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6496 0.0103 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4997 0.3066 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1552 -2.1448 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3442 -2.0751 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4273 -4.1145 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7460 -3.9497 3.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0468 -4.1228 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9223 -2.1157 3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2631 -1.9857 4.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2699 0.4499 3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8792 0.0705 2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7631 0.0619 4.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4052 -3.7134 3.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6224 -4.3217 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9869 -4.2569 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1604 -6.5192 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2646 -5.0074 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6630 -5.3382 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8007 -5.5565 2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1262 -6.7676 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7448 -6.1373 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4310 -2.8615 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3164 -2.8891 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8042 -3.6156 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2923 -3.4624 2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7948 -2.9569 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5328 -4.6752 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4527 -5.8292 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 -6.8450 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1713 -5.3993 -1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
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7 8 1 0 0 0 0
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10 11 1 0 0 0 0
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13 14 1 0 0 0 0
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23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
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28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
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29 33 1 0 0 0 0
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36 40 1 0 0 0 0
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42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 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
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49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
58 59 1 0 0 0 0
55 60 1 0 0 0 0
60 61 2 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 1 0 0 0 0
63 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 73 1 0 0 0 0
73 74 1 0 0 0 0
70 75 1 0 0 0 0
75 76 2 0 0 0 0
75 77 1 0 0 0 0
77 24 1 0 0 0 0
51 47 1 0 0 0 0
1 78 1 0 0 0 0
1 79 1 0 0 0 0
1 80 1 0 0 0 0
2 81 1 0 0 0 0
2 82 1 0 0 0 0
3 83 1 0 0 0 0
3 84 1 0 0 0 0
4 85 1 0 0 0 0
4 86 1 0 0 0 0
5 87 1 0 0 0 0
5 88 1 0 0 0 0
6 89 1 0 0 0 0
6 90 1 0 0 0 0
7 91 1 0 0 0 0
7 92 1 0 0 0 0
8 93 1 0 0 0 0
8 94 1 0 0 0 0
9 95 1 0 0 0 0
9 96 1 0 0 0 0
10 97 1 0 0 0 0
10 98 1 0 0 0 0
11 99 1 0 0 0 0
11100 1 0 0 0 0
12101 1 0 0 0 0
12102 1 0 0 0 0
13103 1 0 0 0 0
13104 1 0 0 0 0
14105 1 0 0 0 0
14106 1 0 0 0 0
15107 1 0 0 0 0
15108 1 0 0 0 0
16109 1 0 0 0 0
16110 1 0 0 0 0
17111 1 0 0 0 0
17112 1 0 0 0 0
18113 1 0 0 0 0
18114 1 0 0 0 0
19115 1 0 0 0 0
19116 1 0 0 0 0
20117 1 0 0 0 0
20118 1 0 0 0 0
21119 1 0 0 0 0
21120 1 0 0 0 0
22121 1 0 0 0 0
22122 1 0 0 0 0
23123 1 0 0 0 0
23124 1 0 0 0 0
24125 1 6 0 0 0
25126 1 0 0 0 0
25127 1 0 0 0 0
28128 1 0 0 0 0
29129 1 6 0 0 0
30130 1 1 0 0 0
31131 1 0 0 0 0
31132 1 0 0 0 0
31133 1 0 0 0 0
32134 1 0 0 0 0
35135 1 0 0 0 0
36136 1 1 0 0 0
37137 1 1 0 0 0
38138 1 0 0 0 0
38139 1 0 0 0 0
38140 1 0 0 0 0
39141 1 0 0 0 0
39142 1 0 0 0 0
39143 1 0 0 0 0
42144 1 0 0 0 0
43145 1 6 0 0 0
44146 1 0 0 0 0
44147 1 0 0 0 0
44148 1 0 0 0 0
48149 1 0 0 0 0
48150 1 0 0 0 0
49151 1 0 0 0 0
49152 1 0 0 0 0
50153 1 0 0 0 0
50154 1 0 0 0 0
51155 1 6 0 0 0
54156 1 0 0 0 0
55157 1 6 0 0 0
56158 1 6 0 0 0
57159 1 0 0 0 0
57160 1 0 0 0 0
57161 1 0 0 0 0
58162 1 0 0 0 0
58163 1 0 0 0 0
59164 1 0 0 0 0
59165 1 0 0 0 0
59166 1 0 0 0 0
62167 1 0 0 0 0
63168 1 1 0 0 0
64169 1 6 0 0 0
65170 1 0 0 0 0
65171 1 0 0 0 0
65172 1 0 0 0 0
66173 1 0 0 0 0
66174 1 0 0 0 0
66175 1 0 0 0 0
69176 1 0 0 0 0
70177 1 1 0 0 0
71178 1 6 0 0 0
72179 1 0 0 0 0
72180 1 0 0 0 0
72181 1 0 0 0 0
74182 1 0 0 0 0
74183 1 0 0 0 0
74184 1 0 0 0 0
M END
> <DATABASE_ID>
NP0010723
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@]([H])(C([H])([H])[H])[C@]1([H])N([H])C(=O)C([H])([H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(OC([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C59H107N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-45-38-47(68)61-51(43(9)67)57(73)63-48(39(3)4)54(70)60-42(8)58(74)66-37-34-36-46(66)53(69)64-50(41(7)13-2)56(72)62-49(40(5)6)55(71)65-52(44(10)76-11)59(75)77-45/h39-46,48-52,67H,12-38H2,1-11H3,(H,60,70)(H,61,68)(H,62,72)(H,63,73)(H,64,69)(H,65,71)/t41-,42-,43+,44+,45+,46+,48-,49-,50+,51-,52-/m0/s1
> <INCHI_KEY>
AZLHFAKIYLIXEW-JWEYKXOCSA-N
> <FORMULA>
C59H107N7O11
> <MOLECULAR_WEIGHT>
1090.543
> <EXACT_MASS>
1089.802857293
> <JCHEM_ACCEPTOR_COUNT>
10
> <JCHEM_ATOM_COUNT>
184
> <JCHEM_AVERAGE_POLARIZABILITY>
126.26491807853786
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
7
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3R,6S,9S,12R,16S,19S,22S,27aR)-3-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-9-[(1R)-1-methoxyethyl]-22-methyl-6,19-bis(propan-2-yl)-12-tricosyl-hexacosahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-1,4,7,10,14,17,20,23-octone
> <ALOGPS_LOGP>
6.29
> <JCHEM_LOGP>
9.142473030333335
> <ALOGPS_LOGS>
-5.63
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.760831392299181
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.364414464821202
> <JCHEM_PKA_STRONGEST_BASIC>
-2.9370909893436643
> <JCHEM_POLAR_SURFACE_AREA>
250.66999999999996
> <JCHEM_REFRACTIVITY>
298.15180000000015
> <JCHEM_ROTATABLE_BOND_COUNT>
29
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.53e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3R,6S,9S,12R,16S,19S,22S,27aR)-3-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-6,19-diisopropyl-9-[(1R)-1-methoxyethyl]-22-methyl-12-tricosyl-octadecahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-1,4,7,10,14,17,20,23-octone
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0010723 (Peptidolipin B)
RDKit 3D
184185 0 0 0 0 0 0 0 0999 V2000
14.2724 -3.7258 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5923 -3.8126 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5180 -2.6515 0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0955 -1.3648 1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9180 -0.6769 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1578 -0.3168 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9928 0.4199 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7366 -0.3712 -1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5752 0.4285 -1.8011 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3221 1.7106 -1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9037 1.4622 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5838 0.7179 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4795 1.5221 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4113 2.8721 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0596 2.8410 1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6651 2.3103 2.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7230 3.2658 1.4223 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3076 2.9424 1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8599 1.6285 1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0765 1.5011 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4630 0.2267 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9566 0.2529 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3513 -0.9532 -1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2137 -0.8232 -1.2052 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4845 0.5104 -1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5791 0.4670 -2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 -0.5930 -3.5871 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5750 1.4323 -3.0855 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5895 1.9109 -2.1531 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6625 0.9999 -0.9441 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6052 1.4038 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0092 -0.3004 -1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4746 3.3377 -1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3634 3.7365 -1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4333 4.3487 -2.0452 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7562 4.4286 -1.4269 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6492 5.5008 -0.3530 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2881 6.8457 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9180 5.5705 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7793 4.7415 -2.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1201 5.9763 -2.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3896 3.8484 -3.3466 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1503 2.6472 -3.0636 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3443 1.3937 -3.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0080 2.7652 -1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0159 3.9290 -1.2903 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8244 1.8108 -1.2504 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.2860 1.8555 -0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7147 0.5077 -1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6616 -0.3640 -0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4160 0.5055 -0.7210 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9896 0.6142 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3991 1.7203 1.2484 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2528 -0.2276 1.5017 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2560 -1.6488 1.7102 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5333 -2.2106 2.3051 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3884 -3.7424 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9185 -1.6443 3.6288 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1656 -0.1664 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1129 -2.0182 2.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8986 -1.0804 3.5062 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3372 -3.1428 2.6831 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4175 -3.7312 1.7401 C 0 0 1 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0010723 (Peptidolipin 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 14.272 -3.726 0.263 0.00 0.00 C+0 HETATM 2 C UNK 0 15.592 -3.813 0.909 0.00 0.00 C+0 HETATM 3 C UNK 0 16.518 -2.652 0.797 0.00 0.00 C+0 HETATM 4 C UNK 0 16.096 -1.365 1.367 0.00 0.00 C+0 HETATM 5 C UNK 0 14.918 -0.677 0.766 0.00 0.00 C+0 HETATM 6 C UNK 0 15.158 -0.317 -0.688 0.00 0.00 C+0 HETATM 7 C UNK 0 13.993 0.420 -1.244 0.00 0.00 C+0 HETATM 8 C UNK 0 12.737 -0.371 -1.200 0.00 0.00 C+0 HETATM 9 C UNK 0 11.575 0.429 -1.801 0.00 0.00 C+0 HETATM 10 C UNK 0 11.322 1.711 -1.064 0.00 0.00 C+0 HETATM 11 C UNK 0 10.904 1.462 0.340 0.00 0.00 C+0 HETATM 12 C UNK 0 9.584 0.718 0.452 0.00 0.00 C+0 HETATM 13 C UNK 0 8.479 1.522 -0.231 0.00 0.00 C+0 HETATM 14 C UNK 0 8.411 2.872 0.407 0.00 0.00 C+0 HETATM 15 C UNK 0 8.060 2.841 1.847 0.00 0.00 C+0 HETATM 16 C UNK 0 6.665 2.310 2.083 0.00 0.00 C+0 HETATM 17 C UNK 0 5.723 3.266 1.422 0.00 0.00 C+0 HETATM 18 C UNK 0 4.308 2.942 1.669 0.00 0.00 C+0 HETATM 19 C UNK 0 3.860 1.629 1.150 0.00 0.00 C+0 HETATM 20 C UNK 0 4.077 1.501 -0.306 0.00 0.00 C+0 HETATM 21 C UNK 0 3.463 0.227 -0.852 0.00 0.00 C+0 HETATM 22 C UNK 0 1.957 0.253 -0.664 0.00 0.00 C+0 HETATM 23 C UNK 0 1.351 -0.953 -1.334 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.214 -0.823 -1.205 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.485 0.510 -1.879 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.579 0.467 -2.854 0.00 0.00 C+0 HETATM 27 O UNK 0 -1.618 -0.593 -3.587 0.00 0.00 O+0 HETATM 28 N UNK 0 -2.575 1.432 -3.086 0.00 0.00 N+0 HETATM 29 C UNK 0 -3.590 1.911 -2.153 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.663 1.000 -0.944 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.605 1.404 0.115 0.00 0.00 C+0 HETATM 32 O UNK 0 -4.009 -0.300 -1.410 0.00 0.00 O+0 HETATM 33 C UNK 0 -3.475 3.338 -1.848 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.363 3.736 -1.334 0.00 0.00 O+0 HETATM 35 N UNK 0 -4.433 4.349 -2.045 0.00 0.00 N+0 HETATM 36 C UNK 0 -5.756 4.429 -1.427 0.00 0.00 C+0 HETATM 37 C UNK 0 -5.649 5.501 -0.353 0.00 0.00 C+0 HETATM 38 C UNK 0 -5.288 6.846 -0.872 0.00 0.00 C+0 HETATM 39 C UNK 0 -6.918 5.571 0.429 0.00 0.00 C+0 HETATM 40 C UNK 0 -6.779 4.742 -2.455 0.00 0.00 C+0 HETATM 41 O UNK 0 -7.120 5.976 -2.512 0.00 0.00 O+0 HETATM 42 N UNK 0 -7.390 3.848 -3.347 0.00 0.00 N+0 HETATM 43 C UNK 0 -8.150 2.647 -3.064 0.00 0.00 C+0 HETATM 44 C UNK 0 -7.344 1.394 -3.151 0.00 0.00 C+0 HETATM 45 C UNK 0 -9.008 2.765 -1.866 0.00 0.00 C+0 HETATM 46 O UNK 0 -9.016 3.929 -1.290 0.00 0.00 O+0 HETATM 47 N UNK 0 -9.824 1.811 -1.250 0.00 0.00 N+0 HETATM 48 C UNK 0 -11.286 1.855 -0.958 0.00 0.00 C+0 HETATM 49 C UNK 0 -11.715 0.508 -1.539 0.00 0.00 C+0 HETATM 50 C UNK 0 -10.662 -0.364 -0.854 0.00 0.00 C+0 HETATM 51 C UNK 0 -9.416 0.505 -0.721 0.00 0.00 C+0 HETATM 52 C UNK 0 -8.990 0.614 0.697 0.00 0.00 C+0 HETATM 53 O UNK 0 -9.399 1.720 1.248 0.00 0.00 O+0 HETATM 54 N UNK 0 -8.253 -0.228 1.502 0.00 0.00 N+0 HETATM 55 C UNK 0 -8.256 -1.649 1.710 0.00 0.00 C+0 HETATM 56 C UNK 0 -9.533 -2.211 2.305 0.00 0.00 C+0 HETATM 57 C UNK 0 -9.388 -3.742 2.435 0.00 0.00 C+0 HETATM 58 C UNK 0 -9.918 -1.644 3.629 0.00 0.00 C+0 HETATM 59 C UNK 0 -10.166 -0.166 3.653 0.00 0.00 C+0 HETATM 60 C UNK 0 -7.113 -2.018 2.643 0.00 0.00 C+0 HETATM 61 O UNK 0 -6.899 -1.080 3.506 0.00 0.00 O+0 HETATM 62 N UNK 0 -6.337 -3.143 2.683 0.00 0.00 N+0 HETATM 63 C UNK 0 -5.418 -3.731 1.740 0.00 0.00 C+0 HETATM 64 C UNK 0 -6.188 -4.756 0.905 0.00 0.00 C+0 HETATM 65 C UNK 0 -5.287 -5.424 -0.110 0.00 0.00 C+0 HETATM 66 C UNK 0 -6.739 -5.831 1.797 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.749 -2.722 0.885 0.00 0.00 C+0 HETATM 68 O UNK 0 -5.495 -1.699 0.651 0.00 0.00 O+0 HETATM 69 N UNK 0 -3.456 -2.772 0.335 0.00 0.00 N+0 HETATM 70 C UNK 0 -2.186 -2.708 0.975 0.00 0.00 C+0 HETATM 71 C UNK 0 -1.183 -3.744 0.545 0.00 0.00 C+0 HETATM 72 C UNK 0 0.052 -3.680 1.466 0.00 0.00 C+0 HETATM 73 O UNK 0 -1.663 -5.065 0.757 0.00 0.00 O+0 HETATM 74 C UNK 0 -1.514 -5.800 -0.427 0.00 0.00 C+0 HETATM 75 C UNK 0 -1.545 -1.337 0.887 0.00 0.00 C+0 HETATM 76 O UNK 0 -2.047 -0.443 1.680 0.00 0.00 O+0 HETATM 77 O UNK 0 -0.535 -0.962 0.097 0.00 0.00 O+0 HETATM 78 H UNK 0 14.028 -4.751 -0.161 0.00 0.00 H+0 HETATM 79 H UNK 0 14.168 -3.029 -0.576 0.00 0.00 H+0 HETATM 80 H UNK 0 13.441 -3.522 0.988 0.00 0.00 H+0 HETATM 81 H UNK 0 16.151 -4.713 0.492 0.00 0.00 H+0 HETATM 82 H UNK 0 15.485 -4.056 2.017 0.00 0.00 H+0 HETATM 83 H UNK 0 17.470 -2.961 1.348 0.00 0.00 H+0 HETATM 84 H UNK 0 16.884 -2.520 -0.262 0.00 0.00 H+0 HETATM 85 H UNK 0 16.964 -0.643 1.437 0.00 0.00 H+0 HETATM 86 H UNK 0 15.824 -1.552 2.454 0.00 0.00 H+0 HETATM 87 H UNK 0 14.012 -1.245 0.950 0.00 0.00 H+0 HETATM 88 H UNK 0 14.789 0.285 1.369 0.00 0.00 H+0 HETATM 89 H UNK 0 15.438 -1.220 -1.278 0.00 0.00 H+0 HETATM 90 H UNK 0 16.073 0.353 -0.692 0.00 0.00 H+0 HETATM 91 H UNK 0 14.245 0.705 -2.298 0.00 0.00 H+0 HETATM 92 H UNK 0 13.910 1.374 -0.662 0.00 0.00 H+0 HETATM 93 H UNK 0 12.858 -1.257 -1.883 0.00 0.00 H+0 HETATM 94 H UNK 0 12.504 -0.748 -0.217 0.00 0.00 H+0 HETATM 95 H UNK 0 10.683 -0.212 -1.735 0.00 0.00 H+0 HETATM 96 H UNK 0 11.758 0.610 -2.882 0.00 0.00 H+0 HETATM 97 H UNK 0 12.211 2.400 -1.121 0.00 0.00 H+0 HETATM 98 H UNK 0 10.540 2.251 -1.657 0.00 0.00 H+0 HETATM 99 H UNK 0 11.659 0.748 0.792 0.00 0.00 H+0 HETATM 100 H UNK 0 10.953 2.344 1.007 0.00 0.00 H+0 HETATM 101 H UNK 0 9.314 0.606 1.510 0.00 0.00 H+0 HETATM 102 H UNK 0 9.620 -0.264 -0.025 0.00 0.00 H+0 HETATM 103 H UNK 0 7.535 0.969 -0.053 0.00 0.00 H+0 HETATM 104 H UNK 0 8.611 1.553 -1.325 0.00 0.00 H+0 HETATM 105 H UNK 0 9.410 3.406 0.342 0.00 0.00 H+0 HETATM 106 H UNK 0 7.764 3.509 -0.239 0.00 0.00 H+0 HETATM 107 H UNK 0 8.044 3.902 2.278 0.00 0.00 H+0 HETATM 108 H UNK 0 8.814 2.289 2.444 0.00 0.00 H+0 HETATM 109 H UNK 0 6.534 2.291 3.191 0.00 0.00 H+0 HETATM 110 H UNK 0 6.593 1.287 1.699 0.00 0.00 H+0 HETATM 111 H UNK 0 5.896 4.317 1.764 0.00 0.00 H+0 HETATM 112 H UNK 0 5.968 3.241 0.325 0.00 0.00 H+0 HETATM 113 H UNK 0 3.607 3.713 1.244 0.00 0.00 H+0 HETATM 114 H UNK 0 4.159 2.901 2.797 0.00 0.00 H+0 HETATM 115 H UNK 0 4.414 0.804 1.687 0.00 0.00 H+0 HETATM 116 H UNK 0 2.777 1.488 1.422 0.00 0.00 H+0 HETATM 117 H UNK 0 3.550 2.344 -0.823 0.00 0.00 H+0 HETATM 118 H UNK 0 5.141 1.552 -0.616 0.00 0.00 H+0 HETATM 119 H UNK 0 3.733 0.081 -1.915 0.00 0.00 H+0 HETATM 120 H UNK 0 3.894 -0.622 -0.288 0.00 0.00 H+0 HETATM 121 H UNK 0 1.767 0.124 0.450 0.00 0.00 H+0 HETATM 122 H UNK 0 1.491 1.210 -0.900 0.00 0.00 H+0 HETATM 123 H UNK 0 1.589 -1.885 -0.806 0.00 0.00 H+0 HETATM 124 H UNK 0 1.559 -1.054 -2.396 0.00 0.00 H+0 HETATM 125 H UNK 0 -0.570 -1.671 -1.844 0.00 0.00 H+0 HETATM 126 H UNK 0 0.425 0.784 -2.539 0.00 0.00 H+0 HETATM 127 H UNK 0 -0.511 1.286 -1.121 0.00 0.00 H+0 HETATM 128 H UNK 0 -2.645 1.893 -4.049 0.00 0.00 H+0 HETATM 129 H UNK 0 -4.597 1.745 -2.665 0.00 0.00 H+0 HETATM 130 H UNK 0 -2.623 0.878 -0.596 0.00 0.00 H+0 HETATM 131 H UNK 0 -5.651 1.302 -0.180 0.00 0.00 H+0 HETATM 132 H UNK 0 -4.430 0.775 1.019 0.00 0.00 H+0 HETATM 133 H UNK 0 -4.436 2.489 0.368 0.00 0.00 H+0 HETATM 134 H UNK 0 -4.949 -0.267 -1.723 0.00 0.00 H+0 HETATM 135 H UNK 0 -4.204 5.165 -2.700 0.00 0.00 H+0 HETATM 136 H UNK 0 -6.086 3.525 -0.929 0.00 0.00 H+0 HETATM 137 H UNK 0 -4.839 5.192 0.367 0.00 0.00 H+0 HETATM 138 H UNK 0 -6.123 7.585 -0.767 0.00 0.00 H+0 HETATM 139 H UNK 0 -4.484 7.274 -0.202 0.00 0.00 H+0 HETATM 140 H UNK 0 -4.853 6.867 -1.884 0.00 0.00 H+0 HETATM 141 H UNK 0 -7.293 4.563 0.723 0.00 0.00 H+0 HETATM 142 H UNK 0 -7.712 6.059 -0.160 0.00 0.00 H+0 HETATM 143 H UNK 0 -6.811 6.184 1.353 0.00 0.00 H+0 HETATM 144 H UNK 0 -7.282 4.091 -4.403 0.00 0.00 H+0 HETATM 145 H UNK 0 -8.898 2.535 -3.951 0.00 0.00 H+0 HETATM 146 H UNK 0 -6.833 1.142 -2.227 0.00 0.00 H+0 HETATM 147 H UNK 0 -7.950 0.514 -3.512 0.00 0.00 H+0 HETATM 148 H UNK 0 -6.614 1.543 -4.009 0.00 0.00 H+0 HETATM 149 H UNK 0 -11.825 2.629 -1.487 0.00 0.00 H+0 HETATM 150 H UNK 0 -11.464 1.934 0.112 0.00 0.00 H+0 HETATM 151 H UNK 0 -11.515 0.508 -2.624 0.00 0.00 H+0 HETATM 152 H UNK 0 -12.735 0.260 -1.270 0.00 0.00 H+0 HETATM 153 H UNK 0 -10.504 -1.294 -1.391 0.00 0.00 H+0 HETATM 154 H UNK 0 -11.043 -0.532 0.168 0.00 0.00 H+0 HETATM 155 H UNK 0 -8.650 0.010 -1.314 0.00 0.00 H+0 HETATM 156 H UNK 0 -7.500 0.307 2.106 0.00 0.00 H+0 HETATM 157 H UNK 0 -8.155 -2.145 0.727 0.00 0.00 H+0 HETATM 158 H UNK 0 -10.344 -2.075 1.589 0.00 0.00 H+0 HETATM 159 H UNK 0 -10.427 -4.114 2.596 0.00 0.00 H+0 HETATM 160 H UNK 0 -8.746 -3.950 3.303 0.00 0.00 H+0 HETATM 161 H UNK 0 -9.047 -4.123 1.477 0.00 0.00 H+0 HETATM 162 H UNK 0 -10.922 -2.116 3.874 0.00 0.00 H+0 HETATM 163 H UNK 0 -9.263 -1.986 4.459 0.00 0.00 H+0 HETATM 164 H UNK 0 -9.270 0.450 3.687 0.00 0.00 H+0 HETATM 165 H UNK 0 -10.879 0.071 2.832 0.00 0.00 H+0 HETATM 166 H UNK 0 -10.763 0.062 4.588 0.00 0.00 H+0 HETATM 167 H UNK 0 -6.405 -3.713 3.610 0.00 0.00 H+0 HETATM 168 H UNK 0 -4.622 -4.322 2.241 0.00 0.00 H+0 HETATM 169 H UNK 0 -6.987 -4.257 0.310 0.00 0.00 H+0 HETATM 170 H UNK 0 -5.160 -6.519 0.119 0.00 0.00 H+0 HETATM 171 H UNK 0 -4.265 -5.007 -0.098 0.00 0.00 H+0 HETATM 172 H UNK 0 -5.663 -5.338 -1.150 0.00 0.00 H+0 HETATM 173 H UNK 0 -6.801 -5.556 2.852 0.00 0.00 H+0 HETATM 174 H UNK 0 -6.126 -6.768 1.761 0.00 0.00 H+0 HETATM 175 H UNK 0 -7.745 -6.137 1.438 0.00 0.00 H+0 HETATM 176 H UNK 0 -3.431 -2.861 -0.732 0.00 0.00 H+0 HETATM 177 H UNK 0 -2.316 -2.889 2.092 0.00 0.00 H+0 HETATM 178 H UNK 0 -0.804 -3.616 -0.482 0.00 0.00 H+0 HETATM 179 H UNK 0 -0.292 -3.462 2.519 0.00 0.00 H+0 HETATM 180 H UNK 0 0.795 -2.957 1.121 0.00 0.00 H+0 HETATM 181 H UNK 0 0.533 -4.675 1.531 0.00 0.00 H+0 HETATM 182 H UNK 0 -0.453 -5.829 -0.731 0.00 0.00 H+0 HETATM 183 H UNK 0 -1.788 -6.845 -0.191 0.00 0.00 H+0 HETATM 184 H UNK 0 -2.171 -5.399 -1.214 0.00 0.00 H+0 CONECT 1 2 78 79 80 CONECT 2 1 3 81 82 CONECT 3 2 4 83 84 CONECT 4 3 5 85 86 CONECT 5 4 6 87 88 CONECT 6 5 7 89 90 CONECT 7 6 8 91 92 CONECT 8 7 9 93 94 CONECT 9 8 10 95 96 CONECT 10 9 11 97 98 CONECT 11 10 12 99 100 CONECT 12 11 13 101 102 CONECT 13 12 14 103 104 CONECT 14 13 15 105 106 CONECT 15 14 16 107 108 CONECT 16 15 17 109 110 CONECT 17 16 18 111 112 CONECT 18 17 19 113 114 CONECT 19 18 20 115 116 CONECT 20 19 21 117 118 CONECT 21 20 22 119 120 CONECT 22 21 23 121 122 CONECT 23 22 24 123 124 CONECT 24 23 25 77 125 CONECT 25 24 26 126 127 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 128 CONECT 29 28 30 33 129 CONECT 30 29 31 32 130 CONECT 31 30 131 132 133 CONECT 32 30 134 CONECT 33 29 34 35 CONECT 34 33 CONECT 35 33 36 135 CONECT 36 35 37 40 136 CONECT 37 36 38 39 137 CONECT 38 37 138 139 140 CONECT 39 37 141 142 143 CONECT 40 36 41 42 CONECT 41 40 CONECT 42 40 43 144 CONECT 43 42 44 45 145 CONECT 44 43 146 147 148 CONECT 45 43 46 47 CONECT 46 45 CONECT 47 45 48 51 CONECT 48 47 49 149 150 CONECT 49 48 50 151 152 CONECT 50 49 51 153 154 CONECT 51 50 52 47 155 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 156 CONECT 55 54 56 60 157 CONECT 56 55 57 58 158 CONECT 57 56 159 160 161 CONECT 58 56 59 162 163 CONECT 59 58 164 165 166 CONECT 60 55 61 62 CONECT 61 60 CONECT 62 60 63 167 CONECT 63 62 64 67 168 CONECT 64 63 65 66 169 CONECT 65 64 170 171 172 CONECT 66 64 173 174 175 CONECT 67 63 68 69 CONECT 68 67 CONECT 69 67 70 176 CONECT 70 69 71 75 177 CONECT 71 70 72 73 178 CONECT 72 71 179 180 181 CONECT 73 71 74 CONECT 74 73 182 183 184 CONECT 75 70 76 77 CONECT 76 75 CONECT 77 75 24 CONECT 78 1 CONECT 79 1 CONECT 80 1 CONECT 81 2 CONECT 82 2 CONECT 83 3 CONECT 84 3 CONECT 85 4 CONECT 86 4 CONECT 87 5 CONECT 88 5 CONECT 89 6 CONECT 90 6 CONECT 91 7 CONECT 92 7 CONECT 93 8 CONECT 94 8 CONECT 95 9 CONECT 96 9 CONECT 97 10 CONECT 98 10 CONECT 99 11 CONECT 100 11 CONECT 101 12 CONECT 102 12 CONECT 103 13 CONECT 104 13 CONECT 105 14 CONECT 106 14 CONECT 107 15 CONECT 108 15 CONECT 109 16 CONECT 110 16 CONECT 111 17 CONECT 112 17 CONECT 113 18 CONECT 114 18 CONECT 115 19 CONECT 116 19 CONECT 117 20 CONECT 118 20 CONECT 119 21 CONECT 120 21 CONECT 121 22 CONECT 122 22 CONECT 123 23 CONECT 124 23 CONECT 125 24 CONECT 126 25 CONECT 127 25 CONECT 128 28 CONECT 129 29 CONECT 130 30 CONECT 131 31 CONECT 132 31 CONECT 133 31 CONECT 134 32 CONECT 135 35 CONECT 136 36 CONECT 137 37 CONECT 138 38 CONECT 139 38 CONECT 140 38 CONECT 141 39 CONECT 142 39 CONECT 143 39 CONECT 144 42 CONECT 145 43 CONECT 146 44 CONECT 147 44 CONECT 148 44 CONECT 149 48 CONECT 150 48 CONECT 151 49 CONECT 152 49 CONECT 153 50 CONECT 154 50 CONECT 155 51 CONECT 156 54 CONECT 157 55 CONECT 158 56 CONECT 159 57 CONECT 160 57 CONECT 161 57 CONECT 162 58 CONECT 163 58 CONECT 164 59 CONECT 165 59 CONECT 166 59 CONECT 167 62 CONECT 168 63 CONECT 169 64 CONECT 170 65 CONECT 171 65 CONECT 172 65 CONECT 173 66 CONECT 174 66 CONECT 175 66 CONECT 176 69 CONECT 177 70 CONECT 178 71 CONECT 179 72 CONECT 180 72 CONECT 181 72 CONECT 182 74 CONECT 183 74 CONECT 184 74 MASTER 0 0 0 0 0 0 0 0 184 0 370 0 END SMILES for NP0010723 (Peptidolipin B)[H]O[C@]([H])(C([H])([H])[H])[C@]1([H])N([H])C(=O)C([H])([H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(OC([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] INCHI for NP0010723 (Peptidolipin B)InChI=1S/C59H107N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-45-38-47(68)61-51(43(9)67)57(73)63-48(39(3)4)54(70)60-42(8)58(74)66-37-34-36-46(66)53(69)64-50(41(7)13-2)56(72)62-49(40(5)6)55(71)65-52(44(10)76-11)59(75)77-45/h39-46,48-52,67H,12-38H2,1-11H3,(H,60,70)(H,61,68)(H,62,72)(H,63,73)(H,64,69)(H,65,71)/t41-,42-,43+,44+,45+,46+,48-,49-,50+,51-,52-/m0/s1 3D Structure for NP0010723 (Peptidolipin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C59H107N7O11 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1090.5430 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1089.80286 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R,6S,9S,12R,16S,19S,22S,27aR)-3-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-9-[(1R)-1-methoxyethyl]-22-methyl-6,19-bis(propan-2-yl)-12-tricosyl-hexacosahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-1,4,7,10,14,17,20,23-octone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R,6S,9S,12R,16S,19S,22S,27aR)-3-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-6,19-diisopropyl-9-[(1R)-1-methoxyethyl]-22-methyl-12-tricosyl-octadecahydropyrrolo[2,1-l]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-1,4,7,10,14,17,20,23-octone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)OC)C(=O)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C59H107N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-45-38-47(68)61-51(43(9)67)57(73)63-48(39(3)4)54(70)60-42(8)58(74)66-37-34-36-46(66)53(69)64-50(41(7)13-2)56(72)62-49(40(5)6)55(71)65-52(44(10)76-11)59(75)77-45/h39-46,48-52,67H,12-38H2,1-11H3,(H,60,70)(H,61,68)(H,62,72)(H,63,73)(H,64,69)(H,65,71)/t41-,42-,43+,44+,45+,46+,48-,49-,50+,51-,52-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AZLHFAKIYLIXEW-JWEYKXOCSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Peptidomimetics | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Depsipeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Cyclic depsipeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aliphatic heteropolycyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA011663 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 29214367 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 57408892 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
