@MOLECULE (5s,6s)-5,6,7,8,9,10,11,12-octahydroretinol 59 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.9510 -0.9822 -0.9903 O.3 1 UNL1111111111 -0.5485 2 C 2.2978 -0.1429 -0.3394 C.3 1 UNL1111111111 -0.1355 3 C 2.5402 -1.4296 0.5003 C.3 1 UNL1111111111 0.1072 4 C 3.5767 0.5328 -0.8968 C.3 1 UNL1111111111 -0.0824 5 C 3.4926 -2.3812 -0.2617 C.3 1 UNL1111111111 -0.2955 6 C 4.4598 -0.5052 -1.6136 C.3 1 UNL1111111111 -0.2836 7 C 1.4247 0.8703 0.4246 C.3 1 UNL1111111111 -0.2897 8 C 4.7847 -1.6910 -0.7028 C.3 1 UNL1111111111 -0.2615 9 C 3.0914 -1.1499 1.9041 C.3 1 UNL1111111111 -0.4629 10 C 1.1951 -2.1793 0.6632 C.3 1 UNL1111111111 -0.4741 11 C 0.7955 1.9041 -0.5169 C.3 1 UNL1111111111 -0.2857 12 C 4.3994 1.3195 0.1281 C.3 1 UNL1111111111 -0.4515 13 C -0.1054 2.9013 0.2375 C.3 1 UNL1111111111 -0.0757 14 C -1.2033 2.2196 1.0785 C.3 1 UNL1111111111 -0.2848 15 C -0.7269 3.8802 -0.7674 C.3 1 UNL1111111111 -0.4557 16 C -2.0549 1.2272 0.2807 C.3 1 UNL1111111111 -0.2570 17 C -2.9545 0.4035 1.2166 C.3 1 UNL1111111111 -0.2907 18 C -3.6496 -0.6678 0.4308 C.2 1 UNL1111111111 0.0227 19 C -2.8480 -1.8935 0.1402 C.3 1 UNL1111111111 -0.4558 20 C -4.9138 -0.5145 0.0203 C.2 1 UNL1111111111 -0.2376 21 C -5.6572 -1.5362 -0.7714 C.3 1 UNL1111111111 0.0082 22 H 1.7182 -0.4770 -1.2410 H 1 UNL1111111111 0.1324 23 H 3.2331 1.2693 -1.6713 H 1 UNL1111111111 0.1243 24 H 3.7309 -3.2539 0.3729 H 1 UNL1111111111 0.1325 25 H 2.9733 -2.7874 -1.1503 H 1 UNL1111111111 0.1359 26 H 3.9435 -0.8647 -2.5235 H 1 UNL1111111111 0.1327 27 H 5.3926 -0.0276 -1.9641 H 1 UNL1111111111 0.1322 28 H 0.6207 0.3304 0.9631 H 1 UNL1111111111 0.1441 29 H 2.0153 1.3769 1.2074 H 1 UNL1111111111 0.1409 30 H 5.3611 -1.3520 0.1776 H 1 UNL1111111111 0.1377 31 H 5.4369 -2.4104 -1.2314 H 1 UNL1111111111 0.1275 32 H 4.0755 -0.6702 1.8610 H 1 UNL1111111111 0.1473 33 H 3.2073 -2.0772 2.4748 H 1 UNL1111111111 0.1403 34 H 2.4296 -0.4919 2.4755 H 1 UNL1111111111 0.1448 35 H 1.3450 -3.1533 1.1395 H 1 UNL1111111111 0.1440 36 H 0.7128 -2.3520 -0.3030 H 1 UNL1111111111 0.1409 37 H 0.4952 -1.6168 1.2900 H 1 UNL1111111111 0.1451 38 H 0.2181 1.3939 -1.3097 H 1 UNL1111111111 0.1384 39 H 1.5899 2.4663 -1.0436 H 1 UNL1111111111 0.1366 40 H 3.8152 2.1324 0.5727 H 1 UNL1111111111 0.1438 41 H 5.2815 1.7690 -0.3407 H 1 UNL1111111111 0.1388 42 H 4.7533 0.6808 0.9444 H 1 UNL1111111111 0.1466 43 H 0.5405 3.4833 0.9420 H 1 UNL1111111111 0.1260 44 H -0.7326 1.7049 1.9378 H 1 UNL1111111111 0.1342 45 H -1.8560 2.9963 1.5216 H 1 UNL1111111111 0.1354 46 H -1.3486 4.6273 -0.2629 H 1 UNL1111111111 0.1411 47 H 0.0435 4.4179 -1.3294 H 1 UNL1111111111 0.1399 48 H -1.3631 3.3610 -1.4923 H 1 UNL1111111111 0.1466 49 H -2.6749 1.7627 -0.4619 H 1 UNL1111111111 0.1407 50 H -1.4080 0.5464 -0.3055 H 1 UNL1111111111 0.1458 51 H -2.3535 -0.0454 2.0324 H 1 UNL1111111111 0.1456 52 H -3.6817 1.0693 1.7213 H 1 UNL1111111111 0.1460 53 H -2.9286 -2.1960 -0.9129 H 1 UNL1111111111 0.1511 54 H -1.7775 -1.7555 0.3494 H 1 UNL1111111111 0.1579 55 H -3.1896 -2.7402 0.7531 H 1 UNL1111111111 0.1548 56 H -5.4957 0.3828 0.2381 H 1 UNL1111111111 0.1753 57 H -5.7685 -2.4901 -0.2202 H 1 UNL1111111111 0.1185 58 H -5.1845 -1.7261 -1.7550 H 1 UNL1111111111 0.1186 59 H -7.5025 -1.6039 -1.4986 H 1 UNL1111111111 0.3061 @BOND 1 1 21 1 2 1 59 1 3 2 3 1 4 2 4 1 5 2 7 1 6 2 22 1 7 3 5 1 8 3 9 1 9 3 10 1 10 4 6 1 11 4 12 1 12 4 23 1 13 5 8 1 14 5 24 1 15 5 25 1 16 6 8 1 17 6 26 1 18 6 27 1 19 7 11 1 20 7 28 1 21 7 29 1 22 8 30 1 23 8 31 1 24 9 32 1 25 9 33 1 26 9 34 1 27 10 35 1 28 10 36 1 29 10 37 1 30 11 13 1 31 11 38 1 32 11 39 1 33 12 40 1 34 12 41 1 35 12 42 1 36 13 14 1 37 13 15 1 38 13 43 1 39 14 16 1 40 14 44 1 41 14 45 1 42 15 46 1 43 15 47 1 44 15 48 1 45 16 17 1 46 16 49 1 47 16 50 1 48 17 18 1 49 17 51 1 50 17 52 1 51 18 19 1 52 18 20 2 53 19 53 1 54 19 54 1 55 19 55 1 56 20 21 1 57 20 56 1 58 21 57 1 59 21 58 1