Showing NP-Card for Tensin (NP0003193)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:31:43 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:45:45 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003193 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Tensin | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Tensin is found in Pseudomonas and Pseudomonas fluorescens. Tensin was first documented in 2000 (PMID: 10710691). Based on a literature review very few articles have been published on (3R)-3-{[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-6-(butan-2-yl)-3-(2-carboxyethyl)-5,8,11,14,17,20,23,26-octahydroxy-12-[2-(C-hydroxycarbonimidoyl)ethyl]-18-(hydroxymethyl)-28-methyl-2-oxo-9,15,21,24-tetrakis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosa-4,7,10,13,16,19,22,25-octaen-27-yl]-C-hydroxycarbonimidoyl}-3-{[(2R)-2-{[(3S)-1,3-dihydroxydecylidene]amino}-1-hydroxy-4-methylpentylidene]amino}propanoic acid. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003193 (Tensin)
Mrv1652307012117073D
203203 0 0 0 0 999 V2000
17.1114 1.9559 -2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0191 1.0573 -2.6709 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6943 1.8053 -2.7014 C 0 0 2 0 0 0 0 0 0 0 0 0
13.6084 0.8808 -3.2345 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4215 -0.3319 -2.4212 C 0 0 2 0 0 0 0 0 0 0 0 0
12.9887 -0.2718 -1.0225 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6390 0.1353 -0.6365 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1869 1.5022 -1.0143 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0935 2.4141 -0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8226 1.7554 -0.3167 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8327 0.6946 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0506 0.2381 -1.8886 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7988 0.3288 0.0949 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7977 -0.0290 0.9167 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5020 -1.5296 1.0835 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6988 -2.2145 1.6458 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9359 -2.1391 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4077 -3.6937 1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 0.7471 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4722 1.6442 -0.1289 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3917 0.5168 1.5627 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1715 1.3235 1.3393 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7882 1.8603 2.6880 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7906 2.6891 3.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8574 3.0609 2.9111 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 3.1420 4.6754 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1291 0.4857 0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5312 -0.7088 0.4129 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 0.7747 0.5357 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 -0.1653 -0.0474 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8431 -0.9832 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 -1.7806 0.5347 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -0.9713 2.3672 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6792 0.2234 3.2580 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6462 -0.2480 4.6942 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6419 0.8864 5.6773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5117 -1.1626 4.9907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9692 0.9252 3.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 0.0487 2.9589 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3101 2.2440 2.8162 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5268 3.3835 3.6637 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3394 4.3287 3.7609 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0557 4.8297 2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7606 5.4647 4.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1841 3.1192 4.9543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5444 3.4872 6.0134 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4079 2.5194 5.1945 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5979 2.5377 4.3349 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6493 3.2572 5.2041 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.1268 4.5287 5.4578 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0415 1.1831 3.9793 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4497 0.2478 4.6740 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9606 0.7314 3.0552 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2545 0.9811 1.7023 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.7021 2.1429 0.9965 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2108 2.2056 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3266 3.4719 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8094 -0.2425 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5825 -0.5595 1.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5995 -1.0535 0.1173 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7882 -0.5904 -0.5904 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6719 -1.7434 -0.9611 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.9162 -1.3464 -1.6755 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.8296 -0.4785 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9678 0.0810 -1.5770 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.6365 -0.2198 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4612 0.3003 -1.7253 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4240 1.0621 -2.1264 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2452 0.4209 -2.4052 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.5522 -0.5630 -3.2350 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3449 0.2016 -4.5619 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6841 -0.6665 -5.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6177 0.7641 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2241 -0.9046 -2.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5512 0.1543 -2.3281 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6267 -2.1277 -2.3923 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0189 -3.1458 -3.1975 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8119 -4.4090 -3.3596 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.1547 -4.3085 -3.9629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 -5.1525 -2.0173 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6274 -6.4261 -2.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2550 -2.7214 -4.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5150 -3.0232 -5.5753 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0943 -1.8831 -4.1539 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1404 -2.1892 -3.0749 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4041 -3.4782 -3.4894 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5913 -3.9318 -2.4688 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2318 -5.1887 -2.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -5.7305 -2.3627 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7372 -5.7450 -4.1492 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1499 -1.0971 -3.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 -1.2737 -3.5302 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 0.0944 -2.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 0.2896 -1.1462 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4543 1.7304 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9864 2.2954 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0961 1.4249 -2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2057 2.8486 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2095 0.6957 -3.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9558 0.1649 -1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8273 2.6126 -3.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4283 2.2695 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7513 1.4436 -3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0804 0.5018 -4.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3812 -0.9457 -2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7015 -0.9902 -3.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7698 0.2632 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1128 -1.3467 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5221 0.0522 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9322 -0.6589 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1002 1.7154 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6422 2.9497 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4693 2.7289 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9892 1.7676 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2703 -0.4778 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1226 0.2257 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3028 -1.9311 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6248 -1.7130 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9628 -1.8045 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7662 -2.1796 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5585 -3.0494 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5734 -1.2874 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3959 -4.1916 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8813 -4.1294 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8568 -3.8069 2.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3954 -0.2020 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 2.1787 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5524 0.9327 3.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 2.4133 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6406 2.4360 5.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 1.7027 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5432 -0.9498 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4130 -1.8903 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2123 0.7792 3.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5707 -0.8432 4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 0.8750 6.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5914 1.8716 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4497 0.8681 6.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 -2.2366 4.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -0.8235 4.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 -1.1307 6.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4817 2.5142 1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3102 4.0766 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4175 3.9111 4.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8315 5.9015 2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1562 4.3173 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 4.6058 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 5.3397 5.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8500 5.5413 4.7134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2651 6.3951 4.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5507 1.9744 6.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3684 3.2190 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7183 2.6949 6.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6104 3.2629 4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4212 4.7834 4.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6377 -0.0300 3.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3694 1.0294 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0594 2.0552 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8120 2.0903 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9025 3.2614 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6911 1.5121 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9379 3.9426 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5356 4.2224 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0247 3.2736 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3551 -2.0607 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3676 -0.0221 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9868 -2.2782 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1074 -2.4841 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5190 -2.2660 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6506 -0.9072 -2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9003 -0.1251 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8628 0.6827 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7091 1.3565 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2011 -1.3950 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 1.1116 -4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6275 -0.4789 -5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1283 -0.5215 -6.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8324 -1.7323 -5.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5216 0.1656 -4.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5440 0.6644 -6.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7396 1.8448 -4.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5842 -2.3781 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1106 -3.5657 -2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2379 -5.1174 -4.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8989 -3.7633 -3.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5664 -5.3626 -3.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1434 -4.0304 -5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7691 -5.5221 -1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1032 -4.5366 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7164 -6.2892 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3301 -7.1802 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3235 -6.9180 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9473 -1.0688 -4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 -2.3039 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2142 -3.2413 -4.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 -4.2260 -3.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -4.1507 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3587 -3.1755 -2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -6.4312 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9790 -0.3439 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9923 2.3501 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5578 1.7423 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3298 2.2061 -2.1479 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
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 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
16 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
19 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 2 0 0 0 0
24 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
41 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
48 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
54 58 1 0 0 0 0
58 59 2 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 2 0 0 0 0
61 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
70 74 1 0 0 0 0
74 75 2 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
77 82 1 0 0 0 0
82 83 2 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
85 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
94 30 1 0 0 0 0
1 96 1 0 0 0 0
1 97 1 0 0 0 0
1 98 1 0 0 0 0
2 99 1 0 0 0 0
2100 1 0 0 0 0
3101 1 0 0 0 0
3102 1 0 0 0 0
4103 1 0 0 0 0
4104 1 0 0 0 0
5105 1 0 0 0 0
5106 1 0 0 0 0
6107 1 0 0 0 0
6108 1 0 0 0 0
7109 1 0 0 0 0
7110 1 0 0 0 0
8111 1 6 0 0 0
9112 1 0 0 0 0
10113 1 0 0 0 0
10114 1 0 0 0 0
13115 1 0 0 0 0
14116 1 1 0 0 0
15117 1 0 0 0 0
15118 1 0 0 0 0
16119 1 1 0 0 0
17120 1 0 0 0 0
17121 1 0 0 0 0
17122 1 0 0 0 0
18123 1 0 0 0 0
18124 1 0 0 0 0
18125 1 0 0 0 0
21126 1 0 0 0 0
22127 1 6 0 0 0
23128 1 0 0 0 0
23129 1 0 0 0 0
26130 1 0 0 0 0
29131 1 0 0 0 0
30132 1 6 0 0 0
33133 1 0 0 0 0
34134 1 6 0 0 0
35135 1 1 0 0 0
36136 1 0 0 0 0
36137 1 0 0 0 0
36138 1 0 0 0 0
37139 1 0 0 0 0
37140 1 0 0 0 0
37141 1 0 0 0 0
40142 1 0 0 0 0
41143 1 6 0 0 0
42144 1 1 0 0 0
43145 1 0 0 0 0
43146 1 0 0 0 0
43147 1 0 0 0 0
44148 1 0 0 0 0
44149 1 0 0 0 0
44150 1 0 0 0 0
47151 1 0 0 0 0
48152 1 6 0 0 0
49153 1 0 0 0 0
49154 1 0 0 0 0
50155 1 0 0 0 0
53156 1 0 0 0 0
54157 1 1 0 0 0
55158 1 6 0 0 0
56159 1 0 0 0 0
56160 1 0 0 0 0
56161 1 0 0 0 0
57162 1 0 0 0 0
57163 1 0 0 0 0
57164 1 0 0 0 0
60165 1 0 0 0 0
61166 1 1 0 0 0
62167 1 0 0 0 0
62168 1 0 0 0 0
63169 1 0 0 0 0
63170 1 0 0 0 0
65171 1 0 0 0 0
65172 1 0 0 0 0
69173 1 0 0 0 0
70174 1 6 0 0 0
71175 1 1 0 0 0
72176 1 0 0 0 0
72177 1 0 0 0 0
72178 1 0 0 0 0
73179 1 0 0 0 0
73180 1 0 0 0 0
73181 1 0 0 0 0
76182 1 0 0 0 0
77183 1 1 0 0 0
78184 1 6 0 0 0
79185 1 0 0 0 0
79186 1 0 0 0 0
79187 1 0 0 0 0
80188 1 0 0 0 0
80189 1 0 0 0 0
81190 1 0 0 0 0
81191 1 0 0 0 0
81192 1 0 0 0 0
84193 1 0 0 0 0
85194 1 1 0 0 0
86195 1 0 0 0 0
86196 1 0 0 0 0
87197 1 0 0 0 0
87198 1 0 0 0 0
90199 1 0 0 0 0
94200 1 6 0 0 0
95201 1 0 0 0 0
95202 1 0 0 0 0
95203 1 0 0 0 0
M END
3D MOL for NP0003193 (Tensin)
RDKit 3D
203203 0 0 0 0 0 0 0 0999 V2000
17.1114 1.9559 -2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0191 1.0573 -2.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6943 1.8053 -2.7014 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6084 0.8808 -3.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4215 -0.3319 -2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9887 -0.2718 -1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6390 0.1353 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1869 1.5022 -1.0143 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0935 2.4141 -0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8226 1.7554 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8327 0.6946 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0506 0.2381 -1.8886 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7988 0.3288 0.0949 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7977 -0.0290 0.9167 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5020 -1.5296 1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6988 -2.2145 1.6458 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9359 -2.1391 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4077 -3.6937 1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 0.7471 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4722 1.6442 -0.1289 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3917 0.5168 1.5627 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1715 1.3235 1.3393 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7882 1.8603 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7906 2.6891 3.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8574 3.0609 2.9111 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 3.1420 4.6754 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1291 0.4857 0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5312 -0.7088 0.4129 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 0.7747 0.5357 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 -0.1653 -0.0474 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8431 -0.9832 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 -1.7806 0.5347 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -0.9713 2.3672 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6792 0.2234 3.2580 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6462 -0.2480 4.6942 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6419 0.8864 5.6773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5117 -1.1626 4.9907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9692 0.9252 3.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 0.0487 2.9589 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3101 2.2440 2.8162 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5268 3.3835 3.6637 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3394 4.3287 3.7609 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0557 4.8297 2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7606 5.4647 4.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1841 3.1192 4.9543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5444 3.4872 6.0134 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4079 2.5194 5.1945 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5979 2.5377 4.3349 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6493 3.2572 5.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1268 4.5287 5.4578 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0415 1.1831 3.9793 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4497 0.2478 4.6740 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9606 0.7314 3.0552 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2545 0.9811 1.7023 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.7021 2.1429 0.9965 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2108 2.2056 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3266 3.4719 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8094 -0.2425 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5825 -0.5595 1.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5995 -1.0535 0.1173 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7882 -0.5904 -0.5904 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6719 -1.7434 -0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9162 -1.3464 -1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8296 -0.4785 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9678 0.0810 -1.5770 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.6365 -0.2198 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4612 0.3003 -1.7253 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4240 1.0621 -2.1264 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2452 0.4209 -2.4052 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.5522 -0.5630 -3.2350 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3449 0.2016 -4.5619 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6841 -0.6665 -5.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6177 0.7641 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2241 -0.9046 -2.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5512 0.1543 -2.3281 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6267 -2.1277 -2.3923 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0189 -3.1458 -3.1975 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8119 -4.4090 -3.3596 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.1547 -4.3085 -3.9629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 -5.1525 -2.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6274 -6.4261 -2.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2550 -2.7214 -4.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5150 -3.0232 -5.5753 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0943 -1.8831 -4.1539 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1404 -2.1892 -3.0749 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4041 -3.4782 -3.4894 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5913 -3.9318 -2.4688 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 -5.1887 -2.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -5.7305 -2.3627 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7372 -5.7450 -4.1492 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1499 -1.0971 -3.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 -1.2737 -3.5302 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 0.0944 -2.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 0.2896 -1.1462 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4543 1.7304 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9864 2.2954 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0961 1.4249 -2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2057 2.8486 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2095 0.6957 -3.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9558 0.1649 -1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8273 2.6126 -3.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4283 2.2695 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7513 1.4436 -3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0804 0.5018 -4.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3812 -0.9457 -2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7015 -0.9902 -3.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7698 0.2632 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1128 -1.3467 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5221 0.0522 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9322 -0.6589 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1002 1.7154 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6422 2.9497 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4693 2.7289 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9892 1.7676 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2703 -0.4778 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1226 0.2257 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3028 -1.9311 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6248 -1.7130 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9628 -1.8045 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7662 -2.1796 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5585 -3.0494 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5734 -1.2874 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3959 -4.1916 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8813 -4.1294 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8568 -3.8069 2.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3954 -0.2020 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 2.1787 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5524 0.9327 3.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 2.4133 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6406 2.4360 5.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 1.7027 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5432 -0.9498 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4130 -1.8903 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2123 0.7792 3.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5707 -0.8432 4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 0.8750 6.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5914 1.8716 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4497 0.8681 6.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 -2.2366 4.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -0.8235 4.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 -1.1307 6.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4817 2.5142 1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3102 4.0766 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4175 3.9111 4.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8315 5.9015 2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1562 4.3173 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 4.6058 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 5.3397 5.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8500 5.5413 4.7134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2651 6.3951 4.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5507 1.9744 6.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3684 3.2190 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7183 2.6949 6.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6104 3.2629 4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4212 4.7834 4.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6377 -0.0300 3.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3694 1.0294 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0594 2.0552 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8120 2.0903 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9025 3.2614 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6911 1.5121 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9379 3.9426 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5356 4.2224 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0247 3.2736 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3551 -2.0607 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3676 -0.0221 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9868 -2.2782 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1074 -2.4841 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5190 -2.2660 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6506 -0.9072 -2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9003 -0.1251 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8628 0.6827 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7091 1.3565 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2011 -1.3950 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 1.1116 -4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6275 -0.4789 -5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1283 -0.5215 -6.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8324 -1.7323 -5.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5216 0.1656 -4.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5440 0.6644 -6.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7396 1.8448 -4.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5842 -2.3781 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1106 -3.5657 -2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2379 -5.1174 -4.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8989 -3.7633 -3.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5664 -5.3626 -3.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1434 -4.0304 -5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7691 -5.5221 -1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1032 -4.5366 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7164 -6.2892 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3301 -7.1802 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3235 -6.9180 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9473 -1.0688 -4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 -2.3039 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2142 -3.2413 -4.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 -4.2260 -3.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -4.1507 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3587 -3.1755 -2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -6.4312 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9790 -0.3439 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9923 2.3501 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5578 1.7423 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3298 2.2061 -2.1479 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
8 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
14 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 2 0
24 26 1 0
22 27 1 0
27 28 2 0
27 29 1 0
29 30 1 0
30 31 1 0
31 32 2 0
31 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
35 37 1 0
34 38 1 0
38 39 2 0
38 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
42 44 1 0
41 45 1 0
45 46 2 0
45 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
48 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
55 57 1 0
54 58 1 0
58 59 2 0
58 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
64 66 2 0
61 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
70 74 1 0
74 75 2 0
74 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
78 80 1 0
80 81 1 0
77 82 1 0
82 83 2 0
82 84 1 0
84 85 1 0
85 86 1 0
86 87 1 0
87 88 1 0
88 89 2 0
88 90 1 0
85 91 1 0
91 92 2 0
91 93 1 0
93 94 1 0
94 95 1 0
94 30 1 0
1 96 1 0
1 97 1 0
1 98 1 0
2 99 1 0
2100 1 0
3101 1 0
3102 1 0
4103 1 0
4104 1 0
5105 1 0
5106 1 0
6107 1 0
6108 1 0
7109 1 0
7110 1 0
8111 1 6
9112 1 0
10113 1 0
10114 1 0
13115 1 0
14116 1 1
15117 1 0
15118 1 0
16119 1 1
17120 1 0
17121 1 0
17122 1 0
18123 1 0
18124 1 0
18125 1 0
21126 1 0
22127 1 6
23128 1 0
23129 1 0
26130 1 0
29131 1 0
30132 1 6
33133 1 0
34134 1 6
35135 1 1
36136 1 0
36137 1 0
36138 1 0
37139 1 0
37140 1 0
37141 1 0
40142 1 0
41143 1 6
42144 1 1
43145 1 0
43146 1 0
43147 1 0
44148 1 0
44149 1 0
44150 1 0
47151 1 0
48152 1 6
49153 1 0
49154 1 0
50155 1 0
53156 1 0
54157 1 1
55158 1 6
56159 1 0
56160 1 0
56161 1 0
57162 1 0
57163 1 0
57164 1 0
60165 1 0
61166 1 1
62167 1 0
62168 1 0
63169 1 0
63170 1 0
65171 1 0
65172 1 0
69173 1 0
70174 1 6
71175 1 1
72176 1 0
72177 1 0
72178 1 0
73179 1 0
73180 1 0
73181 1 0
76182 1 0
77183 1 1
78184 1 6
79185 1 0
79186 1 0
79187 1 0
80188 1 0
80189 1 0
81190 1 0
81191 1 0
81192 1 0
84193 1 0
85194 1 1
86195 1 0
86196 1 0
87197 1 0
87198 1 0
90199 1 0
94200 1 6
95201 1 0
95202 1 0
95203 1 0
M END
3D SDF for NP0003193 (Tensin)
Mrv1652307012117073D
203203 0 0 0 0 999 V2000
17.1114 1.9559 -2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0191 1.0573 -2.6709 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6943 1.8053 -2.7014 C 0 0 2 0 0 0 0 0 0 0 0 0
13.6084 0.8808 -3.2345 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4215 -0.3319 -2.4212 C 0 0 2 0 0 0 0 0 0 0 0 0
12.9887 -0.2718 -1.0225 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6390 0.1353 -0.6365 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1869 1.5022 -1.0143 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0935 2.4141 -0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8226 1.7554 -0.3167 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8327 0.6946 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0506 0.2381 -1.8886 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7988 0.3288 0.0949 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7977 -0.0290 0.9167 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5020 -1.5296 1.0835 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6988 -2.2145 1.6458 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9359 -2.1391 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4077 -3.6937 1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 0.7471 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4722 1.6442 -0.1289 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3917 0.5168 1.5627 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1715 1.3235 1.3393 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7882 1.8603 2.6880 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7906 2.6891 3.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8574 3.0609 2.9111 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 3.1420 4.6754 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1291 0.4857 0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5312 -0.7088 0.4129 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 0.7747 0.5357 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 -0.1653 -0.0474 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8431 -0.9832 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 -1.7806 0.5347 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -0.9713 2.3672 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6792 0.2234 3.2580 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6462 -0.2480 4.6942 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6419 0.8864 5.6773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5117 -1.1626 4.9907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9692 0.9252 3.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 0.0487 2.9589 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3101 2.2440 2.8162 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5268 3.3835 3.6637 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3394 4.3287 3.7609 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0557 4.8297 2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7606 5.4647 4.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1841 3.1192 4.9543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5444 3.4872 6.0134 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4079 2.5194 5.1945 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5979 2.5377 4.3349 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6493 3.2572 5.2041 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.1268 4.5287 5.4578 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0415 1.1831 3.9793 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4497 0.2478 4.6740 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9606 0.7314 3.0552 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2545 0.9811 1.7023 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.7021 2.1429 0.9965 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2108 2.2056 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3266 3.4719 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8094 -0.2425 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5825 -0.5595 1.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5995 -1.0535 0.1173 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7882 -0.5904 -0.5904 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6719 -1.7434 -0.9611 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.9162 -1.3464 -1.6755 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.8296 -0.4785 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9678 0.0810 -1.5770 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.6365 -0.2198 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4612 0.3003 -1.7253 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4240 1.0621 -2.1264 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2452 0.4209 -2.4052 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.5522 -0.5630 -3.2350 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3449 0.2016 -4.5619 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6841 -0.6665 -5.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6177 0.7641 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2241 -0.9046 -2.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5512 0.1543 -2.3281 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6267 -2.1277 -2.3923 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0189 -3.1458 -3.1975 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8119 -4.4090 -3.3596 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.1547 -4.3085 -3.9629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 -5.1525 -2.0173 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6274 -6.4261 -2.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2550 -2.7214 -4.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5150 -3.0232 -5.5753 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0943 -1.8831 -4.1539 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1404 -2.1892 -3.0749 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4041 -3.4782 -3.4894 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5913 -3.9318 -2.4688 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2318 -5.1887 -2.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -5.7305 -2.3627 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7372 -5.7450 -4.1492 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1499 -1.0971 -3.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 -1.2737 -3.5302 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 0.0944 -2.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 0.2896 -1.1462 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4543 1.7304 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9864 2.2954 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0961 1.4249 -2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2057 2.8486 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2095 0.6957 -3.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9558 0.1649 -1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8273 2.6126 -3.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4283 2.2695 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7513 1.4436 -3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0804 0.5018 -4.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3812 -0.9457 -2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7015 -0.9902 -3.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7698 0.2632 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1128 -1.3467 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5221 0.0522 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9322 -0.6589 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1002 1.7154 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6422 2.9497 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4693 2.7289 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9892 1.7676 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2703 -0.4778 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1226 0.2257 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3028 -1.9311 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6248 -1.7130 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9628 -1.8045 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7662 -2.1796 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5585 -3.0494 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5734 -1.2874 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3959 -4.1916 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8813 -4.1294 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8568 -3.8069 2.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3954 -0.2020 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 2.1787 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5524 0.9327 3.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 2.4133 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6406 2.4360 5.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 1.7027 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5432 -0.9498 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4130 -1.8903 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2123 0.7792 3.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5707 -0.8432 4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 0.8750 6.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5914 1.8716 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4497 0.8681 6.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 -2.2366 4.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -0.8235 4.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 -1.1307 6.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4817 2.5142 1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3102 4.0766 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4175 3.9111 4.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8315 5.9015 2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1562 4.3173 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 4.6058 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 5.3397 5.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8500 5.5413 4.7134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2651 6.3951 4.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5507 1.9744 6.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3684 3.2190 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7183 2.6949 6.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6104 3.2629 4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4212 4.7834 4.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6377 -0.0300 3.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3694 1.0294 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0594 2.0552 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8120 2.0903 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9025 3.2614 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6911 1.5121 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9379 3.9426 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5356 4.2224 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0247 3.2736 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3551 -2.0607 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3676 -0.0221 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9868 -2.2782 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1074 -2.4841 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5190 -2.2660 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6506 -0.9072 -2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9003 -0.1251 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8628 0.6827 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7091 1.3565 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2011 -1.3950 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 1.1116 -4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6275 -0.4789 -5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1283 -0.5215 -6.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8324 -1.7323 -5.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5216 0.1656 -4.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5440 0.6644 -6.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7396 1.8448 -4.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5842 -2.3781 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1106 -3.5657 -2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2379 -5.1174 -4.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8989 -3.7633 -3.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5664 -5.3626 -3.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1434 -4.0304 -5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7691 -5.5221 -1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1032 -4.5366 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7164 -6.2892 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3301 -7.1802 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3235 -6.9180 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9473 -1.0688 -4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 -2.3039 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2142 -3.2413 -4.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 -4.2260 -3.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -4.1507 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3587 -3.1755 -2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -6.4312 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9790 -0.3439 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9923 2.3501 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5578 1.7423 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3298 2.2061 -2.1479 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
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 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
16 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
19 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 2 0 0 0 0
24 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
41 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
48 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
54 58 1 0 0 0 0
58 59 2 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
64 66 2 0 0 0 0
61 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
70 74 1 0 0 0 0
74 75 2 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
77 82 1 0 0 0 0
82 83 2 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
85 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
94 30 1 0 0 0 0
1 96 1 0 0 0 0
1 97 1 0 0 0 0
1 98 1 0 0 0 0
2 99 1 0 0 0 0
2100 1 0 0 0 0
3101 1 0 0 0 0
3102 1 0 0 0 0
4103 1 0 0 0 0
4104 1 0 0 0 0
5105 1 0 0 0 0
5106 1 0 0 0 0
6107 1 0 0 0 0
6108 1 0 0 0 0
7109 1 0 0 0 0
7110 1 0 0 0 0
8111 1 6 0 0 0
9112 1 0 0 0 0
10113 1 0 0 0 0
10114 1 0 0 0 0
13115 1 0 0 0 0
14116 1 1 0 0 0
15117 1 0 0 0 0
15118 1 0 0 0 0
16119 1 1 0 0 0
17120 1 0 0 0 0
17121 1 0 0 0 0
17122 1 0 0 0 0
18123 1 0 0 0 0
18124 1 0 0 0 0
18125 1 0 0 0 0
21126 1 0 0 0 0
22127 1 6 0 0 0
23128 1 0 0 0 0
23129 1 0 0 0 0
26130 1 0 0 0 0
29131 1 0 0 0 0
30132 1 6 0 0 0
33133 1 0 0 0 0
34134 1 6 0 0 0
35135 1 1 0 0 0
36136 1 0 0 0 0
36137 1 0 0 0 0
36138 1 0 0 0 0
37139 1 0 0 0 0
37140 1 0 0 0 0
37141 1 0 0 0 0
40142 1 0 0 0 0
41143 1 6 0 0 0
42144 1 1 0 0 0
43145 1 0 0 0 0
43146 1 0 0 0 0
43147 1 0 0 0 0
44148 1 0 0 0 0
44149 1 0 0 0 0
44150 1 0 0 0 0
47151 1 0 0 0 0
48152 1 6 0 0 0
49153 1 0 0 0 0
49154 1 0 0 0 0
50155 1 0 0 0 0
53156 1 0 0 0 0
54157 1 1 0 0 0
55158 1 6 0 0 0
56159 1 0 0 0 0
56160 1 0 0 0 0
56161 1 0 0 0 0
57162 1 0 0 0 0
57163 1 0 0 0 0
57164 1 0 0 0 0
60165 1 0 0 0 0
61166 1 1 0 0 0
62167 1 0 0 0 0
62168 1 0 0 0 0
63169 1 0 0 0 0
63170 1 0 0 0 0
65171 1 0 0 0 0
65172 1 0 0 0 0
69173 1 0 0 0 0
70174 1 6 0 0 0
71175 1 1 0 0 0
72176 1 0 0 0 0
72177 1 0 0 0 0
72178 1 0 0 0 0
73179 1 0 0 0 0
73180 1 0 0 0 0
73181 1 0 0 0 0
76182 1 0 0 0 0
77183 1 1 0 0 0
78184 1 6 0 0 0
79185 1 0 0 0 0
79186 1 0 0 0 0
79187 1 0 0 0 0
80188 1 0 0 0 0
80189 1 0 0 0 0
81190 1 0 0 0 0
81191 1 0 0 0 0
81192 1 0 0 0 0
84193 1 0 0 0 0
85194 1 1 0 0 0
86195 1 0 0 0 0
86196 1 0 0 0 0
87197 1 0 0 0 0
87198 1 0 0 0 0
90199 1 0 0 0 0
94200 1 6 0 0 0
95201 1 0 0 0 0
95202 1 0 0 0 0
95203 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003193
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])C([H])([H])[C@]1([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])(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])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])[C@]([H])(OC1=O)C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C63H108N12O20/c1-15-17-18-19-20-21-37(77)27-44(79)65-40(26-30(3)4)54(85)68-41(28-46(82)83)55(86)75-52-36(14)95-63(94)39(23-25-45(80)81)67-61(92)51(35(13)16-2)74-60(91)49(33(9)10)70-53(84)38(22-24-43(64)78)66-57(88)47(31(5)6)71-56(87)42(29-76)69-58(89)48(32(7)8)72-59(90)50(34(11)12)73-62(52)93/h30-42,47-52,76-77H,15-29H2,1-14H3,(H2,64,78)(H,65,79)(H,66,88)(H,67,92)(H,68,85)(H,69,89)(H,70,84)(H,71,87)(H,72,90)(H,73,93)(H,74,91)(H,75,86)(H,80,81)(H,82,83)/t35-,36-,37+,38-,39+,40-,41-,42-,47+,48-,49+,50-,51+,52-/m1/s1
> <INCHI_KEY>
MMVSTTKMXIEOJW-MTQKTPQZSA-N
> <FORMULA>
C63H108N12O20
> <MOLECULAR_WEIGHT>
1353.621
> <EXACT_MASS>
1352.780283926
> <JCHEM_ACCEPTOR_COUNT>
19
> <JCHEM_ATOM_COUNT>
203
> <JCHEM_AVERAGE_POLARIZABILITY>
143.85915865347914
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3R)-3-{[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-6-[(2R)-butan-2-yl]-12-(2-carbamoylethyl)-3-(2-carboxyethyl)-18-(hydroxymethyl)-28-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-9,15,21,24-tetrakis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]carbamoyl}-3-[(2R)-2-[(3S)-3-hydroxydecanamido]-4-methylpentanamido]propanoic acid
> <ALOGPS_LOGP>
1.05
> <JCHEM_LOGP>
-0.5750240396666624
> <ALOGPS_LOGS>
-4.58
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
4.304151700015284
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7020439242139456
> <JCHEM_POLAR_SURFACE_AREA>
504.54999999999984
> <JCHEM_REFRACTIVITY>
337.96950000000015
> <JCHEM_ROTATABLE_BOND_COUNT>
30
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
3.53e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3R)-3-{[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-6-[(2R)-butan-2-yl]-12-(2-carbamoylethyl)-3-(2-carboxyethyl)-18-(hydroxymethyl)-9,15,21,24-tetraisopropyl-28-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]carbamoyl}-3-[(2R)-2-[(3S)-3-hydroxydecanamido]-4-methylpentanamido]propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003193 (Tensin)
RDKit 3D
203203 0 0 0 0 0 0 0 0999 V2000
17.1114 1.9559 -2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0191 1.0573 -2.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6943 1.8053 -2.7014 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6084 0.8808 -3.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4215 -0.3319 -2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9887 -0.2718 -1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6390 0.1353 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1869 1.5022 -1.0143 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0935 2.4141 -0.4121 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8226 1.7554 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8327 0.6946 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0506 0.2381 -1.8886 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7988 0.3288 0.0949 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7977 -0.0290 0.9167 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5020 -1.5296 1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6988 -2.2145 1.6458 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9359 -2.1391 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4077 -3.6937 1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5180 0.7471 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4722 1.6442 -0.1289 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3917 0.5168 1.5627 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1715 1.3235 1.3393 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7882 1.8603 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7906 2.6891 3.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8574 3.0609 2.9111 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 3.1420 4.6754 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1291 0.4857 0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5312 -0.7088 0.4129 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 0.7747 0.5357 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 -0.1653 -0.0474 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8431 -0.9832 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 -1.7806 0.5347 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -0.9713 2.3672 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6792 0.2234 3.2580 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6462 -0.2480 4.6942 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6419 0.8864 5.6773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5117 -1.1626 4.9907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9692 0.9252 3.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 0.0487 2.9589 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3101 2.2440 2.8162 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5268 3.3835 3.6637 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3394 4.3287 3.7609 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0557 4.8297 2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7606 5.4647 4.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1841 3.1192 4.9543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5444 3.4872 6.0134 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4079 2.5194 5.1945 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5979 2.5377 4.3349 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6493 3.2572 5.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1268 4.5287 5.4578 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0415 1.1831 3.9793 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4497 0.2478 4.6740 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9606 0.7314 3.0552 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2545 0.9811 1.7023 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.7021 2.1429 0.9965 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2108 2.2056 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3266 3.4719 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8094 -0.2425 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5825 -0.5595 1.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5995 -1.0535 0.1173 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7882 -0.5904 -0.5904 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6719 -1.7434 -0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9162 -1.3464 -1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8296 -0.4785 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.9678 0.0810 -1.5770 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.6365 -0.2198 0.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4612 0.3003 -1.7253 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4240 1.0621 -2.1264 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2452 0.4209 -2.4052 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.5522 -0.5630 -3.2350 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3449 0.2016 -4.5619 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6841 -0.6665 -5.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6177 0.7641 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2241 -0.9046 -2.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5512 0.1543 -2.3281 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6267 -2.1277 -2.3923 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0189 -3.1458 -3.1975 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8119 -4.4090 -3.3596 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.1547 -4.3085 -3.9629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 -5.1525 -2.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6274 -6.4261 -2.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2550 -2.7214 -4.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5150 -3.0232 -5.5753 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0943 -1.8831 -4.1539 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1404 -2.1892 -3.0749 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4041 -3.4782 -3.4894 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5913 -3.9318 -2.4688 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 -5.1887 -2.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -5.7305 -2.3627 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7372 -5.7450 -4.1492 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1499 -1.0971 -3.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9856 -1.2737 -3.5302 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 0.0944 -2.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 0.2896 -1.1462 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4543 1.7304 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9864 2.2954 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0961 1.4249 -2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
17.2057 2.8486 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2095 0.6957 -3.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9558 0.1649 -1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8273 2.6126 -3.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4283 2.2695 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7513 1.4436 -3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0804 0.5018 -4.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3812 -0.9457 -2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7015 -0.9902 -3.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7698 0.2632 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1128 -1.3467 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5221 0.0522 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9322 -0.6589 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1002 1.7154 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6422 2.9497 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4693 2.7289 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9892 1.7676 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2703 -0.4778 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1226 0.2257 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3028 -1.9311 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6248 -1.7130 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9628 -1.8045 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7662 -2.1796 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5585 -3.0494 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5734 -1.2874 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3959 -4.1916 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8813 -4.1294 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8568 -3.8069 2.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3954 -0.2020 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 2.1787 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5524 0.9327 3.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 2.4133 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6406 2.4360 5.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4253 1.7027 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5432 -0.9498 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4130 -1.8903 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2123 0.7792 3.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5707 -0.8432 4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 0.8750 6.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5914 1.8716 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4497 0.8681 6.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 -2.2366 4.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -0.8235 4.5939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 -1.1307 6.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4817 2.5142 1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3102 4.0766 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4175 3.9111 4.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8315 5.9015 2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1562 4.3173 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 4.6058 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 5.3397 5.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8500 5.5413 4.7134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2651 6.3951 4.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5507 1.9744 6.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3684 3.2190 3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7183 2.6949 6.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6104 3.2629 4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4212 4.7834 4.8389 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6377 -0.0300 3.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3694 1.0294 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0594 2.0552 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8120 2.0903 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9025 3.2614 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6911 1.5121 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9379 3.9426 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5356 4.2224 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0247 3.2736 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3551 -2.0607 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3676 -0.0221 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9868 -2.2782 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1074 -2.4841 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5190 -2.2660 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6506 -0.9072 -2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9003 -0.1251 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.8628 0.6827 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7091 1.3565 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2011 -1.3950 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7026 1.1116 -4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6275 -0.4789 -5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1283 -0.5215 -6.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8324 -1.7323 -5.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5216 0.1656 -4.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5440 0.6644 -6.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7396 1.8448 -4.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5842 -2.3781 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1106 -3.5657 -2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2379 -5.1174 -4.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8989 -3.7633 -3.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5664 -5.3626 -3.9907 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1434 -4.0304 -5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7691 -5.5221 -1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1032 -4.5366 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7164 -6.2892 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3301 -7.1802 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3235 -6.9180 -3.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9473 -1.0688 -4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 -2.3039 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2142 -3.2413 -4.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 -4.2260 -3.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -4.1507 -1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3587 -3.1755 -2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -6.4312 -4.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9790 -0.3439 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9923 2.3501 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5578 1.7423 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3298 2.2061 -2.1479 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
8 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
14 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 2 0
24 26 1 0
22 27 1 0
27 28 2 0
27 29 1 0
29 30 1 0
30 31 1 0
31 32 2 0
31 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
35 37 1 0
34 38 1 0
38 39 2 0
38 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
42 44 1 0
41 45 1 0
45 46 2 0
45 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
48 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
55 57 1 0
54 58 1 0
58 59 2 0
58 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
64 66 2 0
61 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
70 74 1 0
74 75 2 0
74 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
78 80 1 0
80 81 1 0
77 82 1 0
82 83 2 0
82 84 1 0
84 85 1 0
85 86 1 0
86 87 1 0
87 88 1 0
88 89 2 0
88 90 1 0
85 91 1 0
91 92 2 0
91 93 1 0
93 94 1 0
94 95 1 0
94 30 1 0
1 96 1 0
1 97 1 0
1 98 1 0
2 99 1 0
2100 1 0
3101 1 0
3102 1 0
4103 1 0
4104 1 0
5105 1 0
5106 1 0
6107 1 0
6108 1 0
7109 1 0
7110 1 0
8111 1 6
9112 1 0
10113 1 0
10114 1 0
13115 1 0
14116 1 1
15117 1 0
15118 1 0
16119 1 1
17120 1 0
17121 1 0
17122 1 0
18123 1 0
18124 1 0
18125 1 0
21126 1 0
22127 1 6
23128 1 0
23129 1 0
26130 1 0
29131 1 0
30132 1 6
33133 1 0
34134 1 6
35135 1 1
36136 1 0
36137 1 0
36138 1 0
37139 1 0
37140 1 0
37141 1 0
40142 1 0
41143 1 6
42144 1 1
43145 1 0
43146 1 0
43147 1 0
44148 1 0
44149 1 0
44150 1 0
47151 1 0
48152 1 6
49153 1 0
49154 1 0
50155 1 0
53156 1 0
54157 1 1
55158 1 6
56159 1 0
56160 1 0
56161 1 0
57162 1 0
57163 1 0
57164 1 0
60165 1 0
61166 1 1
62167 1 0
62168 1 0
63169 1 0
63170 1 0
65171 1 0
65172 1 0
69173 1 0
70174 1 6
71175 1 1
72176 1 0
72177 1 0
72178 1 0
73179 1 0
73180 1 0
73181 1 0
76182 1 0
77183 1 1
78184 1 6
79185 1 0
79186 1 0
79187 1 0
80188 1 0
80189 1 0
81190 1 0
81191 1 0
81192 1 0
84193 1 0
85194 1 1
86195 1 0
86196 1 0
87197 1 0
87198 1 0
90199 1 0
94200 1 6
95201 1 0
95202 1 0
95203 1 0
M END
PDB for NP0003193 (Tensin)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 17.111 1.956 -2.182 0.00 0.00 C+0 HETATM 2 C UNK 0 16.019 1.057 -2.671 0.00 0.00 C+0 HETATM 3 C UNK 0 14.694 1.805 -2.701 0.00 0.00 C+0 HETATM 4 C UNK 0 13.608 0.881 -3.235 0.00 0.00 C+0 HETATM 5 C UNK 0 13.422 -0.332 -2.421 0.00 0.00 C+0 HETATM 6 C UNK 0 12.989 -0.272 -1.022 0.00 0.00 C+0 HETATM 7 C UNK 0 11.639 0.135 -0.637 0.00 0.00 C+0 HETATM 8 C UNK 0 11.187 1.502 -1.014 0.00 0.00 C+0 HETATM 9 O UNK 0 12.094 2.414 -0.412 0.00 0.00 O+0 HETATM 10 C UNK 0 9.823 1.755 -0.317 0.00 0.00 C+0 HETATM 11 C UNK 0 8.833 0.695 -0.761 0.00 0.00 C+0 HETATM 12 O UNK 0 9.051 0.238 -1.889 0.00 0.00 O+0 HETATM 13 N UNK 0 7.799 0.329 0.095 0.00 0.00 N+0 HETATM 14 C UNK 0 6.798 -0.029 0.917 0.00 0.00 C+0 HETATM 15 C UNK 0 6.502 -1.530 1.083 0.00 0.00 C+0 HETATM 16 C UNK 0 7.699 -2.215 1.646 0.00 0.00 C+0 HETATM 17 C UNK 0 8.936 -2.139 0.809 0.00 0.00 C+0 HETATM 18 C UNK 0 7.408 -3.694 1.906 0.00 0.00 C+0 HETATM 19 C UNK 0 5.518 0.747 0.765 0.00 0.00 C+0 HETATM 20 O UNK 0 5.472 1.644 -0.129 0.00 0.00 O+0 HETATM 21 N UNK 0 4.392 0.517 1.563 0.00 0.00 N+0 HETATM 22 C UNK 0 3.172 1.323 1.339 0.00 0.00 C+0 HETATM 23 C UNK 0 2.788 1.860 2.688 0.00 0.00 C+0 HETATM 24 C UNK 0 3.791 2.689 3.331 0.00 0.00 C+0 HETATM 25 O UNK 0 4.857 3.061 2.911 0.00 0.00 O+0 HETATM 26 O UNK 0 3.459 3.142 4.675 0.00 0.00 O+0 HETATM 27 C UNK 0 2.129 0.486 0.760 0.00 0.00 C+0 HETATM 28 O UNK 0 2.531 -0.709 0.413 0.00 0.00 O+0 HETATM 29 N UNK 0 0.765 0.775 0.536 0.00 0.00 N+0 HETATM 30 C UNK 0 -0.149 -0.165 -0.047 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.843 -0.983 1.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -1.729 -1.781 0.535 0.00 0.00 O+0 HETATM 33 N UNK 0 -0.635 -0.971 2.367 0.00 0.00 N+0 HETATM 34 C UNK 0 -0.679 0.223 3.258 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.646 -0.248 4.694 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.642 0.886 5.677 0.00 0.00 C+0 HETATM 37 C UNK 0 0.512 -1.163 4.991 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.969 0.925 3.005 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.938 0.049 2.959 0.00 0.00 O+0 HETATM 40 N UNK 0 -2.310 2.244 2.816 0.00 0.00 N+0 HETATM 41 C UNK 0 -2.527 3.384 3.664 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.339 4.329 3.761 0.00 0.00 C+0 HETATM 43 C UNK 0 -1.056 4.830 2.342 0.00 0.00 C+0 HETATM 44 C UNK 0 -1.761 5.465 4.664 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.184 3.119 4.954 0.00 0.00 C+0 HETATM 46 O UNK 0 -2.544 3.487 6.013 0.00 0.00 O+0 HETATM 47 N UNK 0 -4.408 2.519 5.194 0.00 0.00 N+0 HETATM 48 C UNK 0 -5.598 2.538 4.335 0.00 0.00 C+0 HETATM 49 C UNK 0 -6.649 3.257 5.204 0.00 0.00 C+0 HETATM 50 O UNK 0 -6.127 4.529 5.458 0.00 0.00 O+0 HETATM 51 C UNK 0 -6.042 1.183 3.979 0.00 0.00 C+0 HETATM 52 O UNK 0 -5.450 0.248 4.674 0.00 0.00 O+0 HETATM 53 N UNK 0 -6.961 0.731 3.055 0.00 0.00 N+0 HETATM 54 C UNK 0 -7.255 0.981 1.702 0.00 0.00 C+0 HETATM 55 C UNK 0 -6.702 2.143 0.997 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.211 2.206 0.909 0.00 0.00 C+0 HETATM 57 C UNK 0 -7.327 3.472 1.432 0.00 0.00 C+0 HETATM 58 C UNK 0 -6.809 -0.243 0.936 0.00 0.00 C+0 HETATM 59 O UNK 0 -5.582 -0.560 1.056 0.00 0.00 O+0 HETATM 60 N UNK 0 -7.599 -1.054 0.117 0.00 0.00 N+0 HETATM 61 C UNK 0 -8.788 -0.590 -0.590 0.00 0.00 C+0 HETATM 62 C UNK 0 -9.672 -1.743 -0.961 0.00 0.00 C+0 HETATM 63 C UNK 0 -10.916 -1.346 -1.676 0.00 0.00 C+0 HETATM 64 C UNK 0 -11.830 -0.479 -0.923 0.00 0.00 C+0 HETATM 65 N UNK 0 -12.968 0.081 -1.577 0.00 0.00 N+0 HETATM 66 O UNK 0 -11.636 -0.220 0.276 0.00 0.00 O+0 HETATM 67 C UNK 0 -8.461 0.300 -1.725 0.00 0.00 C+0 HETATM 68 O UNK 0 -9.424 1.062 -2.126 0.00 0.00 O+0 HETATM 69 N UNK 0 -7.245 0.421 -2.405 0.00 0.00 N+0 HETATM 70 C UNK 0 -6.552 -0.563 -3.235 0.00 0.00 C+0 HETATM 71 C UNK 0 -6.345 0.202 -4.562 0.00 0.00 C+0 HETATM 72 C UNK 0 -5.684 -0.667 -5.602 0.00 0.00 C+0 HETATM 73 C UNK 0 -7.618 0.764 -5.123 0.00 0.00 C+0 HETATM 74 C UNK 0 -5.224 -0.905 -2.646 0.00 0.00 C+0 HETATM 75 O UNK 0 -4.551 0.154 -2.328 0.00 0.00 O+0 HETATM 76 N UNK 0 -4.627 -2.128 -2.392 0.00 0.00 N+0 HETATM 77 C UNK 0 -4.019 -3.146 -3.197 0.00 0.00 C+0 HETATM 78 C UNK 0 -4.812 -4.409 -3.360 0.00 0.00 C+0 HETATM 79 C UNK 0 -6.155 -4.309 -3.963 0.00 0.00 C+0 HETATM 80 C UNK 0 -4.826 -5.152 -2.017 0.00 0.00 C+0 HETATM 81 C UNK 0 -5.627 -6.426 -2.180 0.00 0.00 C+0 HETATM 82 C UNK 0 -3.255 -2.721 -4.383 0.00 0.00 C+0 HETATM 83 O UNK 0 -3.515 -3.023 -5.575 0.00 0.00 O+0 HETATM 84 N UNK 0 -2.094 -1.883 -4.154 0.00 0.00 N+0 HETATM 85 C UNK 0 -1.140 -2.189 -3.075 0.00 0.00 C+0 HETATM 86 C UNK 0 -0.404 -3.478 -3.489 0.00 0.00 C+0 HETATM 87 C UNK 0 0.591 -3.932 -2.469 0.00 0.00 C+0 HETATM 88 C UNK 0 1.232 -5.189 -2.958 0.00 0.00 C+0 HETATM 89 O UNK 0 2.140 -5.731 -2.363 0.00 0.00 O+0 HETATM 90 O UNK 0 0.737 -5.745 -4.149 0.00 0.00 O+0 HETATM 91 C UNK 0 -0.150 -1.097 -3.021 0.00 0.00 C+0 HETATM 92 O UNK 0 0.986 -1.274 -3.530 0.00 0.00 O+0 HETATM 93 O UNK 0 -0.417 0.094 -2.442 0.00 0.00 O+0 HETATM 94 C UNK 0 -1.022 0.290 -1.146 0.00 0.00 C+0 HETATM 95 C UNK 0 -1.454 1.730 -1.135 0.00 0.00 C+0 HETATM 96 H UNK 0 16.986 2.295 -1.135 0.00 0.00 H+0 HETATM 97 H UNK 0 18.096 1.425 -2.281 0.00 0.00 H+0 HETATM 98 H UNK 0 17.206 2.849 -2.853 0.00 0.00 H+0 HETATM 99 H UNK 0 16.209 0.696 -3.693 0.00 0.00 H+0 HETATM 100 H UNK 0 15.956 0.165 -1.994 0.00 0.00 H+0 HETATM 101 H UNK 0 14.827 2.613 -3.451 0.00 0.00 H+0 HETATM 102 H UNK 0 14.428 2.269 -1.740 0.00 0.00 H+0 HETATM 103 H UNK 0 12.751 1.444 -3.581 0.00 0.00 H+0 HETATM 104 H UNK 0 14.080 0.502 -4.220 0.00 0.00 H+0 HETATM 105 H UNK 0 14.381 -0.946 -2.520 0.00 0.00 H+0 HETATM 106 H UNK 0 12.701 -0.990 -3.025 0.00 0.00 H+0 HETATM 107 H UNK 0 13.770 0.263 -0.369 0.00 0.00 H+0 HETATM 108 H UNK 0 13.113 -1.347 -0.605 0.00 0.00 H+0 HETATM 109 H UNK 0 11.522 0.052 0.508 0.00 0.00 H+0 HETATM 110 H UNK 0 10.932 -0.659 -1.036 0.00 0.00 H+0 HETATM 111 H UNK 0 11.100 1.715 -2.054 0.00 0.00 H+0 HETATM 112 H UNK 0 11.642 2.950 0.296 0.00 0.00 H+0 HETATM 113 H UNK 0 9.469 2.729 -0.713 0.00 0.00 H+0 HETATM 114 H UNK 0 9.989 1.768 0.743 0.00 0.00 H+0 HETATM 115 H UNK 0 7.270 -0.478 -0.895 0.00 0.00 H+0 HETATM 116 H UNK 0 7.123 0.226 2.003 0.00 0.00 H+0 HETATM 117 H UNK 0 6.303 -1.931 0.047 0.00 0.00 H+0 HETATM 118 H UNK 0 5.625 -1.713 1.711 0.00 0.00 H+0 HETATM 119 H UNK 0 7.963 -1.805 2.668 0.00 0.00 H+0 HETATM 120 H UNK 0 8.766 -2.180 -0.273 0.00 0.00 H+0 HETATM 121 H UNK 0 9.559 -3.049 1.039 0.00 0.00 H+0 HETATM 122 H UNK 0 9.573 -1.287 1.130 0.00 0.00 H+0 HETATM 123 H UNK 0 8.396 -4.192 2.018 0.00 0.00 H+0 HETATM 124 H UNK 0 6.881 -4.129 1.037 0.00 0.00 H+0 HETATM 125 H UNK 0 6.857 -3.807 2.839 0.00 0.00 H+0 HETATM 126 H UNK 0 4.395 -0.202 2.305 0.00 0.00 H+0 HETATM 127 H UNK 0 3.464 2.179 0.680 0.00 0.00 H+0 HETATM 128 H UNK 0 2.552 0.933 3.302 0.00 0.00 H+0 HETATM 129 H UNK 0 1.811 2.413 2.539 0.00 0.00 H+0 HETATM 130 H UNK 0 3.641 2.436 5.383 0.00 0.00 H+0 HETATM 131 H UNK 0 0.425 1.703 0.835 0.00 0.00 H+0 HETATM 132 H UNK 0 0.543 -0.950 -0.538 0.00 0.00 H+0 HETATM 133 H UNK 0 -0.413 -1.890 2.858 0.00 0.00 H+0 HETATM 134 H UNK 0 0.212 0.779 3.051 0.00 0.00 H+0 HETATM 135 H UNK 0 -1.571 -0.843 4.934 0.00 0.00 H+0 HETATM 136 H UNK 0 0.340 0.875 6.264 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.591 1.872 5.158 0.00 0.00 H+0 HETATM 138 H UNK 0 -1.450 0.868 6.402 0.00 0.00 H+0 HETATM 139 H UNK 0 0.258 -2.237 4.774 0.00 0.00 H+0 HETATM 140 H UNK 0 1.472 -0.824 4.594 0.00 0.00 H+0 HETATM 141 H UNK 0 0.618 -1.131 6.112 0.00 0.00 H+0 HETATM 142 H UNK 0 -2.482 2.514 1.741 0.00 0.00 H+0 HETATM 143 H UNK 0 -3.310 4.077 3.145 0.00 0.00 H+0 HETATM 144 H UNK 0 -0.418 3.911 4.119 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.832 5.902 2.434 0.00 0.00 H+0 HETATM 146 H UNK 0 -0.156 4.317 1.926 0.00 0.00 H+0 HETATM 147 H UNK 0 -1.910 4.606 1.646 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.341 5.340 5.698 0.00 0.00 H+0 HETATM 149 H UNK 0 -2.850 5.541 4.713 0.00 0.00 H+0 HETATM 150 H UNK 0 -1.265 6.395 4.278 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.551 1.974 6.092 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.368 3.219 3.543 0.00 0.00 H+0 HETATM 153 H UNK 0 -6.718 2.695 6.141 0.00 0.00 H+0 HETATM 154 H UNK 0 -7.610 3.263 4.687 0.00 0.00 H+0 HETATM 155 H UNK 0 -5.421 4.783 4.839 0.00 0.00 H+0 HETATM 156 H UNK 0 -7.638 -0.030 3.460 0.00 0.00 H+0 HETATM 157 H UNK 0 -8.369 1.029 1.576 0.00 0.00 H+0 HETATM 158 H UNK 0 -7.059 2.055 -0.082 0.00 0.00 H+0 HETATM 159 H UNK 0 -4.812 2.090 -0.123 0.00 0.00 H+0 HETATM 160 H UNK 0 -4.902 3.261 1.185 0.00 0.00 H+0 HETATM 161 H UNK 0 -4.691 1.512 1.557 0.00 0.00 H+0 HETATM 162 H UNK 0 -7.938 3.943 0.637 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.536 4.222 1.697 0.00 0.00 H+0 HETATM 164 H UNK 0 -8.025 3.274 2.265 0.00 0.00 H+0 HETATM 165 H UNK 0 -7.355 -2.061 -0.022 0.00 0.00 H+0 HETATM 166 H UNK 0 -9.368 -0.022 0.205 0.00 0.00 H+0 HETATM 167 H UNK 0 -9.987 -2.278 -0.030 0.00 0.00 H+0 HETATM 168 H UNK 0 -9.107 -2.484 -1.543 0.00 0.00 H+0 HETATM 169 H UNK 0 -11.519 -2.266 -1.949 0.00 0.00 H+0 HETATM 170 H UNK 0 -10.651 -0.907 -2.672 0.00 0.00 H+0 HETATM 171 H UNK 0 -13.900 -0.125 -1.185 0.00 0.00 H+0 HETATM 172 H UNK 0 -12.863 0.683 -2.422 0.00 0.00 H+0 HETATM 173 H UNK 0 -6.709 1.357 -2.353 0.00 0.00 H+0 HETATM 174 H UNK 0 -7.201 -1.395 -3.448 0.00 0.00 H+0 HETATM 175 H UNK 0 -5.703 1.112 -4.337 0.00 0.00 H+0 HETATM 176 H UNK 0 -4.628 -0.479 -5.692 0.00 0.00 H+0 HETATM 177 H UNK 0 -6.128 -0.522 -6.620 0.00 0.00 H+0 HETATM 178 H UNK 0 -5.832 -1.732 -5.285 0.00 0.00 H+0 HETATM 179 H UNK 0 -8.522 0.166 -4.868 0.00 0.00 H+0 HETATM 180 H UNK 0 -7.544 0.664 -6.254 0.00 0.00 H+0 HETATM 181 H UNK 0 -7.740 1.845 -4.973 0.00 0.00 H+0 HETATM 182 H UNK 0 -4.584 -2.378 -1.314 0.00 0.00 H+0 HETATM 183 H UNK 0 -3.111 -3.566 -2.538 0.00 0.00 H+0 HETATM 184 H UNK 0 -4.238 -5.117 -4.034 0.00 0.00 H+0 HETATM 185 H UNK 0 -6.899 -3.763 -3.353 0.00 0.00 H+0 HETATM 186 H UNK 0 -6.566 -5.363 -3.991 0.00 0.00 H+0 HETATM 187 H UNK 0 -6.143 -4.030 -5.035 0.00 0.00 H+0 HETATM 188 H UNK 0 -3.769 -5.522 -1.846 0.00 0.00 H+0 HETATM 189 H UNK 0 -5.103 -4.537 -1.179 0.00 0.00 H+0 HETATM 190 H UNK 0 -6.716 -6.289 -2.228 0.00 0.00 H+0 HETATM 191 H UNK 0 -5.330 -7.180 -1.401 0.00 0.00 H+0 HETATM 192 H UNK 0 -5.324 -6.918 -3.151 0.00 0.00 H+0 HETATM 193 H UNK 0 -1.947 -1.069 -4.751 0.00 0.00 H+0 HETATM 194 H UNK 0 -1.629 -2.304 -2.100 0.00 0.00 H+0 HETATM 195 H UNK 0 0.214 -3.241 -4.413 0.00 0.00 H+0 HETATM 196 H UNK 0 -1.130 -4.226 -3.825 0.00 0.00 H+0 HETATM 197 H UNK 0 0.006 -4.151 -1.523 0.00 0.00 H+0 HETATM 198 H UNK 0 1.359 -3.176 -2.253 0.00 0.00 H+0 HETATM 199 H UNK 0 -0.035 -6.431 -4.026 0.00 0.00 H+0 HETATM 200 H UNK 0 -1.979 -0.344 -1.192 0.00 0.00 H+0 HETATM 201 H UNK 0 -0.992 2.350 -0.353 0.00 0.00 H+0 HETATM 202 H UNK 0 -2.558 1.742 -0.875 0.00 0.00 H+0 HETATM 203 H UNK 0 -1.330 2.206 -2.148 0.00 0.00 H+0 CONECT 1 2 96 97 98 CONECT 2 1 3 99 100 CONECT 3 2 4 101 102 CONECT 4 3 5 103 104 CONECT 5 4 6 105 106 CONECT 6 5 7 107 108 CONECT 7 6 8 109 110 CONECT 8 7 9 10 111 CONECT 9 8 112 CONECT 10 8 11 113 114 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 115 CONECT 14 13 15 19 116 CONECT 15 14 16 117 118 CONECT 16 15 17 18 119 CONECT 17 16 120 121 122 CONECT 18 16 123 124 125 CONECT 19 14 20 21 CONECT 20 19 CONECT 21 19 22 126 CONECT 22 21 23 27 127 CONECT 23 22 24 128 129 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 130 CONECT 27 22 28 29 CONECT 28 27 CONECT 29 27 30 131 CONECT 30 29 31 94 132 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 133 CONECT 34 33 35 38 134 CONECT 35 34 36 37 135 CONECT 36 35 136 137 138 CONECT 37 35 139 140 141 CONECT 38 34 39 40 CONECT 39 38 CONECT 40 38 41 142 CONECT 41 40 42 45 143 CONECT 42 41 43 44 144 CONECT 43 42 145 146 147 CONECT 44 42 148 149 150 CONECT 45 41 46 47 CONECT 46 45 CONECT 47 45 48 151 CONECT 48 47 49 51 152 CONECT 49 48 50 153 154 CONECT 50 49 155 CONECT 51 48 52 53 CONECT 52 51 CONECT 53 51 54 156 CONECT 54 53 55 58 157 CONECT 55 54 56 57 158 CONECT 56 55 159 160 161 CONECT 57 55 162 163 164 CONECT 58 54 59 60 CONECT 59 58 CONECT 60 58 61 165 CONECT 61 60 62 67 166 CONECT 62 61 63 167 168 CONECT 63 62 64 169 170 CONECT 64 63 65 66 CONECT 65 64 171 172 CONECT 66 64 CONECT 67 61 68 69 CONECT 68 67 CONECT 69 67 70 173 CONECT 70 69 71 74 174 CONECT 71 70 72 73 175 CONECT 72 71 176 177 178 CONECT 73 71 179 180 181 CONECT 74 70 75 76 CONECT 75 74 CONECT 76 74 77 182 CONECT 77 76 78 82 183 CONECT 78 77 79 80 184 CONECT 79 78 185 186 187 CONECT 80 78 81 188 189 CONECT 81 80 190 191 192 CONECT 82 77 83 84 CONECT 83 82 CONECT 84 82 85 193 CONECT 85 84 86 91 194 CONECT 86 85 87 195 196 CONECT 87 86 88 197 198 CONECT 88 87 89 90 CONECT 89 88 CONECT 90 88 199 CONECT 91 85 92 93 CONECT 92 91 CONECT 93 91 94 CONECT 94 93 95 30 200 CONECT 95 94 201 202 203 CONECT 96 1 CONECT 97 1 CONECT 98 1 CONECT 99 2 CONECT 100 2 CONECT 101 3 CONECT 102 3 CONECT 103 4 CONECT 104 4 CONECT 105 5 CONECT 106 5 CONECT 107 6 CONECT 108 6 CONECT 109 7 CONECT 110 7 CONECT 111 8 CONECT 112 9 CONECT 113 10 CONECT 114 10 CONECT 115 13 CONECT 116 14 CONECT 117 15 CONECT 118 15 CONECT 119 16 CONECT 120 17 CONECT 121 17 CONECT 122 17 CONECT 123 18 CONECT 124 18 CONECT 125 18 CONECT 126 21 CONECT 127 22 CONECT 128 23 CONECT 129 23 CONECT 130 26 CONECT 131 29 CONECT 132 30 CONECT 133 33 CONECT 134 34 CONECT 135 35 CONECT 136 36 CONECT 137 36 CONECT 138 36 CONECT 139 37 CONECT 140 37 CONECT 141 37 CONECT 142 40 CONECT 143 41 CONECT 144 42 CONECT 145 43 CONECT 146 43 CONECT 147 43 CONECT 148 44 CONECT 149 44 CONECT 150 44 CONECT 151 47 CONECT 152 48 CONECT 153 49 CONECT 154 49 CONECT 155 50 CONECT 156 53 CONECT 157 54 CONECT 158 55 CONECT 159 56 CONECT 160 56 CONECT 161 56 CONECT 162 57 CONECT 163 57 CONECT 164 57 CONECT 165 60 CONECT 166 61 CONECT 167 62 CONECT 168 62 CONECT 169 63 CONECT 170 63 CONECT 171 65 CONECT 172 65 CONECT 173 69 CONECT 174 70 CONECT 175 71 CONECT 176 72 CONECT 177 72 CONECT 178 72 CONECT 179 73 CONECT 180 73 CONECT 181 73 CONECT 182 76 CONECT 183 77 CONECT 184 78 CONECT 185 79 CONECT 186 79 CONECT 187 79 CONECT 188 80 CONECT 189 80 CONECT 190 81 CONECT 191 81 CONECT 192 81 CONECT 193 84 CONECT 194 85 CONECT 195 86 CONECT 196 86 CONECT 197 87 CONECT 198 87 CONECT 199 90 CONECT 200 94 CONECT 201 95 CONECT 202 95 CONECT 203 95 MASTER 0 0 0 0 0 0 0 0 203 0 406 0 END SMILES for NP0003193 (Tensin)[H]OC(=O)C([H])([H])C([H])([H])[C@]1([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])(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])(N([H])C(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])[C@]([H])(OC1=O)C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] INCHI for NP0003193 (Tensin)InChI=1S/C63H108N12O20/c1-15-17-18-19-20-21-37(77)27-44(79)65-40(26-30(3)4)54(85)68-41(28-46(82)83)55(86)75-52-36(14)95-63(94)39(23-25-45(80)81)67-61(92)51(35(13)16-2)74-60(91)49(33(9)10)70-53(84)38(22-24-43(64)78)66-57(88)47(31(5)6)71-56(87)42(29-76)69-58(89)48(32(7)8)72-59(90)50(34(11)12)73-62(52)93/h30-42,47-52,76-77H,15-29H2,1-14H3,(H2,64,78)(H,65,79)(H,66,88)(H,67,92)(H,68,85)(H,69,89)(H,70,84)(H,71,87)(H,72,90)(H,73,93)(H,74,91)(H,75,86)(H,80,81)(H,82,83)/t35-,36-,37+,38-,39+,40-,41-,42-,47+,48-,49+,50-,51+,52-/m1/s1 3D Structure for NP0003193 (Tensin) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R)-3-{[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-6-[(2R)-butan-2-yl]-12-(2-carbamoylethyl)-3-(2-carboxyethyl)-18-(hydroxymethyl)-28-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-9,15,21,24-tetrakis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]carbamoyl}-3-[(2R)-2-[(3S)-3-hydroxydecanamido]-4-methylpentanamido]propanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R)-3-{[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-6-[(2R)-butan-2-yl]-12-(2-carbamoylethyl)-3-(2-carboxyethyl)-18-(hydroxymethyl)-9,15,21,24-tetraisopropyl-28-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]carbamoyl}-3-[(2R)-2-[(3S)-3-hydroxydecanamido]-4-methylpentanamido]propanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCC[C@H](O)CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)CC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C63H108N12O20/c1-15-17-18-19-20-21-37(77)27-44(79)65-40(26-30(3)4)54(85)68-41(28-46(82)83)55(86)75-52-36(14)95-63(94)39(23-25-45(80)81)67-61(92)51(35(13)16-2)74-60(91)49(33(9)10)70-53(84)38(22-24-43(64)78)66-57(88)47(31(5)6)71-56(87)42(29-76)69-58(89)48(32(7)8)72-59(90)50(34(11)12)73-62(52)93/h30-42,47-52,76-77H,15-29H2,1-14H3,(H2,64,78)(H,65,79)(H,66,88)(H,67,92)(H,68,85)(H,69,89)(H,70,84)(H,71,87)(H,72,90)(H,73,93)(H,74,91)(H,75,86)(H,80,81)(H,82,83)/t35?,36-,37+,38-,39+,40-,41-,42-,47+,48-,49+,50-,51+,52-/m1/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | MMVSTTKMXIEOJW-MTQKTPQZSA-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 | NPA011452 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78437626 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139586273 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
