@MOLECULE (3beta,5beta)-cholesta-8,14-dien-3-ol 72 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.3431 -1.5744 -0.7452 O.3 1 UNL11111111111 -0.5797 2 C -3.6070 0.3926 -0.4146 C.3 1 UNL11111111111 0.0667 3 C 0.6968 1.1377 0.2030 C.3 1 UNL11111111111 0.0674 4 C -4.3247 -0.0179 0.9015 C.3 1 UNL11111111111 -0.1044 5 C -2.1094 0.4989 -0.1930 C.2 1 UNL11111111111 -0.0325 6 C 2.1878 0.6600 0.3064 C.3 1 UNL11111111111 -0.1359 7 C -0.0464 0.1093 1.0485 C.2 1 UNL11111111111 -0.0366 8 C -1.4817 -0.0263 0.8767 C.2 1 UNL11111111111 -0.0522 9 C 0.1589 1.0352 -1.2293 C.3 1 UNL11111111111 -0.2903 10 C -1.3609 1.2532 -1.2571 C.3 1 UNL11111111111 -0.2749 11 C -3.8397 -0.6668 -1.5191 C.3 1 UNL11111111111 -0.2803 12 C -3.5976 -1.1975 1.5616 C.3 1 UNL11111111111 -0.2809 13 C -2.1898 -0.7645 1.9719 C.3 1 UNL11111111111 -0.2710 14 C -5.8034 -0.3648 0.6731 C.3 1 UNL11111111111 -0.3524 15 C 2.2191 -0.1523 1.6353 C.3 1 UNL11111111111 -0.2827 16 C 3.2589 1.7584 0.2555 C.3 1 UNL11111111111 -0.0909 17 C -5.3212 -0.9695 -1.7392 C.3 1 UNL11111111111 -0.2982 18 C 0.7933 -0.5760 1.8407 C.2 1 UNL11111111111 -0.1896 19 C -5.9660 -1.4220 -0.4256 C.3 1 UNL11111111111 0.1737 20 C -4.1632 1.7603 -0.8560 C.3 1 UNL11111111111 -0.4614 21 C 0.4631 2.5256 0.8051 C.3 1 UNL11111111111 -0.4538 22 C 4.6634 1.2006 0.5771 C.3 1 UNL11111111111 -0.2856 23 C 3.2731 2.4451 -1.1170 C.3 1 UNL11111111111 -0.4515 24 C 5.1167 0.0895 -0.3772 C.3 1 UNL11111111111 -0.2664 25 C 6.4989 -0.4378 0.0285 C.3 1 UNL11111111111 -0.2915 26 C 6.9569 -1.5874 -0.8894 C.3 1 UNL11111111111 -0.0597 27 C 6.1706 -2.8712 -0.5968 C.3 1 UNL11111111111 -0.4526 28 C 8.4575 -1.8408 -0.6911 C.3 1 UNL11111111111 -0.4583 29 H -4.2769 0.8554 1.5994 H 1 UNL11111111111 0.1399 30 H 2.3734 -0.0478 -0.5347 H 1 UNL11111111111 0.1391 31 H 0.3942 0.0347 -1.6422 H 1 UNL11111111111 0.1444 32 H 0.6600 1.7660 -1.8876 H 1 UNL11111111111 0.1394 33 H -1.5729 2.3386 -1.1390 H 1 UNL11111111111 0.1518 34 H -1.7418 0.9798 -2.2626 H 1 UNL11111111111 0.1451 35 H -3.2976 -1.5950 -1.2515 H 1 UNL11111111111 0.1456 36 H -3.3876 -0.3239 -2.4685 H 1 UNL11111111111 0.1390 37 H -4.1586 -1.5552 2.4433 H 1 UNL11111111111 0.1347 38 H -3.5412 -2.0555 0.8653 H 1 UNL11111111111 0.1439 39 H -1.6050 -1.6571 2.2760 H 1 UNL11111111111 0.1475 40 H -2.2332 -0.1141 2.8715 H 1 UNL11111111111 0.1493 41 H -6.3697 0.5440 0.3899 H 1 UNL11111111111 0.1548 42 H -6.2593 -0.7144 1.6161 H 1 UNL11111111111 0.1358 43 H 2.5659 0.4692 2.4799 H 1 UNL11111111111 0.1471 44 H 2.9086 -1.0083 1.5685 H 1 UNL11111111111 0.1439 45 H 3.0257 2.5276 1.0329 H 1 UNL11111111111 0.1338 46 H -5.4521 -1.7523 -2.5099 H 1 UNL11111111111 0.1480 47 H -5.8560 -0.0825 -2.1301 H 1 UNL11111111111 0.1559 48 H 0.5567 -1.3470 2.5474 H 1 UNL11111111111 0.1462 49 H -5.5861 -2.4150 -0.1017 H 1 UNL11111111111 0.1112 50 H -5.2587 1.7517 -0.8908 H 1 UNL11111111111 0.1517 51 H -3.8603 2.5516 -0.1624 H 1 UNL11111111111 0.1456 52 H -3.8202 2.0372 -1.8574 H 1 UNL11111111111 0.1454 53 H 0.8898 3.3177 0.1835 H 1 UNL11111111111 0.1440 54 H -0.6095 2.7297 0.9141 H 1 UNL11111111111 0.1520 55 H 0.9048 2.5989 1.8057 H 1 UNL11111111111 0.1481 56 H 4.6816 0.8256 1.6176 H 1 UNL11111111111 0.1351 57 H 5.3933 2.0322 0.5495 H 1 UNL11111111111 0.1344 58 H 3.3841 1.7199 -1.9302 H 1 UNL11111111111 0.1447 59 H 4.1027 3.1570 -1.1944 H 1 UNL11111111111 0.1418 60 H 2.3465 3.0008 -1.2959 H 1 UNL11111111111 0.1423 61 H 5.1458 0.4666 -1.4159 H 1 UNL11111111111 0.1364 62 H 4.3823 -0.7378 -0.3741 H 1 UNL11111111111 0.1404 63 H -7.8668 -1.7772 0.0485 H 1 UNL11111111111 0.3120 64 H 7.2356 0.3862 -0.0102 H 1 UNL11111111111 0.1348 65 H 6.4849 -0.7792 1.0794 H 1 UNL11111111111 0.1382 66 H 6.7821 -1.2920 -1.9517 H 1 UNL11111111111 0.1280 67 H 6.3124 -3.2001 0.4380 H 1 UNL11111111111 0.1435 68 H 6.4910 -3.6894 -1.2500 H 1 UNL11111111111 0.1399 69 H 5.0960 -2.7271 -0.7525 H 1 UNL11111111111 0.1441 70 H 9.0493 -0.9556 -0.9455 H 1 UNL11111111111 0.1407 71 H 8.8078 -2.6631 -1.3237 H 1 UNL11111111111 0.1422 72 H 8.6847 -2.1050 0.3471 H 1 UNL11111111111 0.1440 @BOND 1 1 19 1 2 1 63 1 3 2 4 1 4 2 5 1 5 2 11 1 6 2 20 1 7 3 6 1 8 3 7 1 9 3 9 1 10 3 21 1 11 4 12 1 12 4 14 1 13 4 29 1 14 5 8 2 15 5 10 1 16 6 15 1 17 6 16 1 18 6 30 1 19 7 8 1 20 7 18 2 21 8 13 1 22 9 10 1 23 9 31 1 24 9 32 1 25 10 33 1 26 10 34 1 27 11 17 1 28 11 35 1 29 11 36 1 30 12 13 1 31 12 37 1 32 12 38 1 33 13 39 1 34 13 40 1 35 14 19 1 36 14 41 1 37 14 42 1 38 15 18 1 39 15 43 1 40 15 44 1 41 16 22 1 42 16 23 1 43 16 45 1 44 17 19 1 45 17 46 1 46 17 47 1 47 18 48 1 48 19 49 1 49 20 50 1 50 20 51 1 51 20 52 1 52 21 53 1 53 21 54 1 54 21 55 1 55 22 24 1 56 22 56 1 57 22 57 1 58 23 58 1 59 23 59 1 60 23 60 1 61 24 25 1 62 24 61 1 63 24 62 1 64 25 26 1 65 25 64 1 66 25 65 1 67 26 27 1 68 26 28 1 69 26 66 1 70 27 67 1 71 27 68 1 72 27 69 1 73 28 70 1 74 28 71 1 75 28 72 1