@MOLECULE (1s,2s,3r,5z,7e)-2-[2-(2h-tetrazol-2-yl)ethyl]-9,10-secocholesta-5,7,10-triene-1,3,25-triol 85 88 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.8196 2.9885 1.2549 O.3 1 UNL1111111111 -0.5762 2 C -8.2828 3.3828 0.0014 C.3 1 UNL1111111111 0.3535 3 C -9.4175 3.9532 -0.8615 C.3 1 UNL1111111111 -0.5168 4 C -7.2641 4.4640 0.3658 C.3 1 UNL1111111111 -0.4736 5 C -7.6471 2.1615 -0.6938 C.3 1 UNL1111111111 -0.3467 6 C -6.6323 1.4590 0.2127 C.3 1 UNL1111111111 -0.2578 7 C -6.0969 0.1858 -0.4546 C.3 1 UNL1111111111 -0.2933 8 C -5.0129 -0.4796 0.4235 C.3 1 UNL1111111111 -0.0879 9 C -5.6988 -1.2931 1.5282 C.3 1 UNL1111111111 -0.4538 10 C -4.0920 -1.3640 -0.4389 C.3 1 UNL1111111111 -0.1495 11 C -3.3860 -0.5347 -1.5533 C.3 1 UNL1111111111 -0.2775 12 C -1.9453 -1.0722 -1.6987 C.3 1 UNL1111111111 -0.2759 13 C -2.9139 -2.0572 0.3078 C.3 1 UNL1111111111 0.0886 14 C -2.2659 -1.1105 1.3237 C.3 1 UNL1111111111 -0.4577 15 C -3.2553 -3.4037 0.9634 C.3 1 UNL1111111111 -0.3035 16 C -1.9756 -4.1023 1.4547 C.3 1 UNL1111111111 -0.2513 17 C -0.8987 -4.2308 0.3606 C.3 1 UNL1111111111 -0.2943 18 C -1.9490 -2.3711 -0.8857 C.3 1 UNL1111111111 -0.1609 19 C -0.6706 -2.9289 -0.3530 C.2 1 UNL1111111111 0.0625 20 C 0.5203 -2.3325 -0.5145 C.2 1 UNL1111111111 -0.2648 21 C 1.7752 -2.7971 0.0424 C.2 1 UNL1111111111 -0.1387 22 C 2.9724 -2.3175 -0.3364 C.2 1 UNL1111111111 -0.0500 23 C 4.2487 -2.7335 0.3244 C.3 1 UNL1111111111 -0.3509 24 C 3.1696 -1.3212 -1.3936 C.2 1 UNL1111111111 -0.0509 25 C 2.7760 -1.4927 -2.6560 C.2 1 UNL1111111111 -0.3006 26 C 3.8830 -0.0752 -0.9264 C.3 1 UNL1111111111 0.1375 27 O 3.0669 0.6483 -0.0339 O.3 1 UNL1111111111 -0.5366 28 C 5.2231 -0.4441 -0.2490 C.3 1 UNL1111111111 -0.1818 29 C 4.9781 -1.4867 0.8624 C.3 1 UNL1111111111 0.1642 30 O 6.2781 -1.8593 1.2832 O.3 1 UNL1111111111 -0.5606 31 C 5.8863 0.7967 0.3569 C.3 1 UNL1111111111 -0.2993 32 C 6.4733 1.6963 -0.7425 C.3 1 UNL1111111111 -0.0602 33 N 7.2251 2.8036 -0.1440 N.ar 1 UNL1111111111 -0.0457 34 N 6.6791 4.0111 0.1217 N.ar 1 UNL1111111111 -0.2482 35 C 7.6791 4.7127 0.7119 C.ar 1 UNL1111111111 0.0080 36 N 8.8154 3.8950 0.7894 N.ar 1 UNL1111111111 -0.2264 37 N 8.5161 2.7475 0.2697 N.ar 1 UNL1111111111 -0.0440 38 H -9.4797 2.2817 1.1506 H 1 UNL1111111111 0.3125 39 H -10.1427 3.1849 -1.1434 H 1 UNL1111111111 0.1465 40 H -9.9633 4.7291 -0.3099 H 1 UNL1111111111 0.1633 41 H -9.0324 4.4063 -1.7795 H 1 UNL1111111111 0.1540 42 H -7.7646 5.3558 0.7623 H 1 UNL1111111111 0.1574 43 H -6.5886 4.1101 1.1563 H 1 UNL1111111111 0.1642 44 H -6.6628 4.7585 -0.4974 H 1 UNL1111111111 0.1482 45 H -8.4379 1.4487 -0.9912 H 1 UNL1111111111 0.1391 46 H -7.1621 2.4826 -1.6334 H 1 UNL1111111111 0.1465 47 H -5.7956 2.1443 0.4469 H 1 UNL1111111111 0.1394 48 H -7.0999 1.2209 1.1882 H 1 UNL1111111111 0.1507 49 H -6.9194 -0.5268 -0.6438 H 1 UNL1111111111 0.1370 50 H -5.6932 0.4400 -1.4510 H 1 UNL1111111111 0.1372 51 H -4.3965 0.3219 0.8972 H 1 UNL1111111111 0.1400 52 H -6.4722 -0.7007 2.0316 H 1 UNL1111111111 0.1481 53 H -6.1812 -2.1902 1.1275 H 1 UNL1111111111 0.1414 54 H -4.9863 -1.6079 2.2979 H 1 UNL1111111111 0.1426 55 H -4.7151 -2.1528 -0.9163 H 1 UNL1111111111 0.1326 56 H -3.9351 -0.6225 -2.5026 H 1 UNL1111111111 0.1311 57 H -3.3694 0.5367 -1.2963 H 1 UNL1111111111 0.1417 58 H -1.6717 -1.2452 -2.7494 H 1 UNL1111111111 0.1351 59 H -1.2158 -0.3460 -1.3018 H 1 UNL1111111111 0.1446 60 H -2.1152 -0.1111 0.8995 H 1 UNL1111111111 0.1515 61 H -2.8816 -1.0039 2.2222 H 1 UNL1111111111 0.1440 62 H -1.2799 -1.4714 1.6395 H 1 UNL1111111111 0.1516 63 H -3.9477 -3.2607 1.8122 H 1 UNL1111111111 0.1432 64 H -3.7909 -4.0523 0.2472 H 1 UNL1111111111 0.1374 65 H -1.5580 -3.5416 2.3134 H 1 UNL1111111111 0.1412 66 H -2.2272 -5.1071 1.8417 H 1 UNL1111111111 0.1322 67 H 0.0340 -4.6231 0.8099 H 1 UNL1111111111 0.1437 68 H -1.2082 -4.9968 -0.3817 H 1 UNL1111111111 0.1516 69 H -2.4236 -3.1638 -1.5237 H 1 UNL1111111111 0.1489 70 H 0.5879 -1.4044 -1.0927 H 1 UNL1111111111 0.1679 71 H 1.7067 -3.5514 0.8300 H 1 UNL1111111111 0.1494 72 H 4.0791 -3.4605 1.1392 H 1 UNL1111111111 0.1489 73 H 4.9039 -3.2596 -0.4035 H 1 UNL1111111111 0.1720 74 H 2.2630 -2.3809 -2.9978 H 1 UNL1111111111 0.1567 75 H 2.9302 -0.7684 -3.4401 H 1 UNL1111111111 0.1483 76 H 4.0380 0.6620 -1.7479 H 1 UNL1111111111 0.1462 77 H 2.6299 0.0540 0.6123 H 1 UNL1111111111 0.3193 78 H 5.9013 -0.9049 -1.0088 H 1 UNL1111111111 0.1646 79 H 4.4375 -1.0427 1.7259 H 1 UNL1111111111 0.1201 80 H 6.2408 -2.4797 2.0341 H 1 UNL1111111111 0.3162 81 H 5.1515 1.3675 0.9642 H 1 UNL1111111111 0.1756 82 H 6.6903 0.4823 1.0599 H 1 UNL1111111111 0.1809 83 H 7.1686 1.1203 -1.4003 H 1 UNL1111111111 0.1683 84 H 5.6609 2.1251 -1.3797 H 1 UNL1111111111 0.1741 85 H 7.6324 5.7262 1.0648 H 1 UNL1111111111 0.2141 @BOND 1 1 38 1 2 2 3 1 3 2 5 1 4 2 1 1 5 3 39 1 6 3 40 1 7 3 41 1 8 4 2 1 9 4 42 1 10 4 43 1 11 4 44 1 12 5 45 1 13 5 46 1 14 6 5 1 15 6 7 1 16 6 47 1 17 6 48 1 18 7 49 1 19 7 50 1 20 8 10 1 21 8 7 1 22 8 9 1 23 8 51 1 24 9 52 1 25 9 53 1 26 9 54 1 27 10 11 1 28 10 55 1 29 11 56 1 30 11 57 1 31 12 11 1 32 12 58 1 33 12 59 1 34 13 18 1 35 13 10 1 36 14 13 1 37 14 60 1 38 14 61 1 39 14 62 1 40 15 13 1 41 15 63 1 42 15 64 1 43 16 17 1 44 16 15 1 45 16 65 1 46 16 66 1 47 17 19 1 48 17 67 1 49 17 68 1 50 18 12 1 51 18 69 1 52 19 20 2 53 19 18 1 54 20 70 1 55 21 22 2 56 21 20 1 57 21 71 1 58 22 24 1 59 23 29 1 60 23 22 1 61 23 72 1 62 23 73 1 63 24 25 2 64 24 26 1 65 25 74 1 66 25 75 1 67 26 27 1 68 26 76 1 69 27 77 1 70 28 26 1 71 28 78 1 72 29 28 1 73 29 30 1 74 29 79 1 75 30 80 1 76 31 32 1 77 31 28 1 78 31 81 1 79 31 82 1 80 32 33 1 81 32 83 1 82 32 84 1 83 33 37 ar 84 34 35 ar 85 34 33 ar 86 35 36 ar 87 35 85 1 88 36 37 ar