@MOLECULE calicoferol b 74 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2283 -0.3928 2.6796 O.3 1 UNL1111111111 -0.5667 2 O 1.1318 -0.8153 -2.6624 O.3 1 UNL1111111111 -0.5657 3 O 6.8496 2.2985 -1.8865 O.3 1 UNL1111111111 -0.4745 4 C -1.2724 -1.5734 -0.1103 C.3 1 UNL1111111111 0.0732 5 C -0.0869 -0.5568 -0.0316 C.3 1 UNL1111111111 -0.1318 6 C -2.4586 -0.6546 0.3092 C.3 1 UNL1111111111 -0.1713 7 C 1.2576 -1.2477 -0.2519 C.3 1 UNL1111111111 -0.1774 8 C -0.3101 0.1705 1.2998 C.3 1 UNL1111111111 -0.3572 9 C -1.8503 0.2108 1.4546 C.3 1 UNL1111111111 0.1539 10 C -1.3186 -2.0754 -1.5600 C.3 1 UNL1111111111 -0.2868 11 C -3.7662 -1.3388 0.7360 C.3 1 UNL1111111111 -0.0730 12 C 1.2346 -1.8380 -1.6853 C.3 1 UNL1111111111 0.1530 13 C 0.0135 -2.7348 -1.9504 C.3 1 UNL1111111111 -0.2942 14 C -1.1341 -2.7484 0.8611 C.3 1 UNL1111111111 -0.4621 15 C 2.4172 -0.2612 -0.0629 C.3 1 UNL1111111111 -0.2741 16 C -4.8127 -0.3018 1.2025 C.3 1 UNL1111111111 -0.2901 17 C -4.3520 -2.1950 -0.3944 C.3 1 UNL1111111111 -0.4549 18 C 3.7842 -0.9601 -0.1253 C.3 1 UNL1111111111 -0.2899 19 C -5.1954 0.7156 0.1214 C.3 1 UNL1111111111 -0.2616 20 C 4.8646 0.0509 0.1170 C.ar 1 UNL1111111111 0.0530 21 C -6.2466 1.6965 0.6555 C.3 1 UNL1111111111 -0.2887 22 C -6.6288 2.7971 -0.3538 C.3 1 UNL1111111111 -0.0610 23 C 5.3233 0.3433 1.4120 C.ar 1 UNL1111111111 -0.0589 24 C 5.3975 0.7229 -0.9805 C.ar 1 UNL1111111111 -0.2709 25 C -5.4274 3.6881 -0.6929 C.3 1 UNL1111111111 -0.4525 26 C -7.2267 2.2019 -1.6341 C.3 1 UNL1111111111 -0.4542 27 C 6.3133 1.3108 1.5933 C.ar 1 UNL1111111111 -0.0970 28 C 6.3849 1.6871 -0.7643 C.ar 1 UNL1111111111 0.2875 29 C 4.7733 -0.3677 2.6033 C.3 1 UNL1111111111 -0.4359 30 C 6.8568 1.9971 0.5101 C.ar 1 UNL1111111111 -0.3142 31 H -0.2176 0.1882 -0.8609 H 1 UNL1111111111 0.1539 32 H -2.6855 0.0208 -0.5502 H 1 UNL1111111111 0.1419 33 H 1.3792 -2.0853 0.4743 H 1 UNL1111111111 0.1472 34 H 0.1318 1.1759 1.3025 H 1 UNL1111111111 0.1395 35 H 0.1470 -0.3846 2.1362 H 1 UNL1111111111 0.1528 36 H -2.2549 1.2414 1.4484 H 1 UNL1111111111 0.1111 37 H -2.1443 -2.7935 -1.7037 H 1 UNL1111111111 0.1386 38 H -1.5230 -1.2316 -2.2485 H 1 UNL1111111111 0.1514 39 H -3.5498 -2.0037 1.6113 H 1 UNL1111111111 0.1511 40 H 2.1762 -2.3957 -1.8926 H 1 UNL1111111111 0.1060 41 H -0.0103 -2.9815 -3.0318 H 1 UNL1111111111 0.1518 42 H 0.1379 -3.6925 -1.4144 H 1 UNL1111111111 0.1384 43 H -1.9498 -3.4672 0.7276 H 1 UNL1111111111 0.1452 44 H -0.1959 -3.2925 0.7276 H 1 UNL1111111111 0.1366 45 H -1.1745 -2.4039 1.9041 H 1 UNL1111111111 0.1648 46 H 2.3698 0.5526 -0.8117 H 1 UNL1111111111 0.1418 47 H 2.3122 0.2493 0.9160 H 1 UNL1111111111 0.1491 48 H -5.7168 -0.8382 1.5468 H 1 UNL1111111111 0.1328 49 H -4.4272 0.2249 2.0973 H 1 UNL1111111111 0.1489 50 H -3.7636 -3.1053 -0.5503 H 1 UNL1111111111 0.1402 51 H -5.3756 -2.5073 -0.1601 H 1 UNL1111111111 0.1426 52 H -4.3828 -1.6477 -1.3420 H 1 UNL1111111111 0.1438 53 H -1.8090 0.0638 3.4308 H 1 UNL1111111111 0.3081 54 H 3.9246 -1.4518 -1.1094 H 1 UNL1111111111 0.1512 55 H 3.8296 -1.7830 0.6156 H 1 UNL1111111111 0.1531 56 H 1.8157 -0.1320 -2.5266 H 1 UNL1111111111 0.3129 57 H -5.5844 0.1919 -0.7709 H 1 UNL1111111111 0.1380 58 H -4.3004 1.2706 -0.2145 H 1 UNL1111111111 0.1350 59 H -7.1570 1.1394 0.9468 H 1 UNL1111111111 0.1330 60 H -5.8739 2.1703 1.5834 H 1 UNL1111111111 0.1340 61 H -7.4100 3.4366 0.1299 H 1 UNL1111111111 0.1224 62 H 5.0640 0.5147 -1.9937 H 1 UNL1111111111 0.1769 63 H -5.7296 4.5378 -1.3136 H 1 UNL1111111111 0.1381 64 H -4.6596 3.1364 -1.2462 H 1 UNL1111111111 0.1471 65 H -4.9605 4.0873 0.2133 H 1 UNL1111111111 0.1407 66 H -8.0599 1.5285 -1.4079 H 1 UNL1111111111 0.1415 67 H -7.6041 2.9879 -2.2963 H 1 UNL1111111111 0.1396 68 H -6.4826 1.6287 -2.1976 H 1 UNL1111111111 0.1462 69 H 6.6699 1.5370 2.5980 H 1 UNL1111111111 0.1501 70 H 5.0298 -1.4375 2.5817 H 1 UNL1111111111 0.1556 71 H 5.1601 0.0324 3.5497 H 1 UNL1111111111 0.1485 72 H 3.6770 -0.2916 2.6506 H 1 UNL1111111111 0.1573 73 H 7.6237 2.7475 0.6588 H 1 UNL1111111111 0.1601 74 H 7.5318 2.9815 -1.6849 H 1 UNL1111111111 0.3256 @BOND 1 1 9 1 2 1 53 1 3 2 12 1 4 2 56 1 5 3 28 1 6 3 74 1 7 4 5 1 8 4 6 1 9 4 10 1 10 4 14 1 11 5 7 1 12 5 8 1 13 5 31 1 14 6 9 1 15 6 11 1 16 6 32 1 17 7 12 1 18 7 15 1 19 7 33 1 20 8 9 1 21 8 34 1 22 8 35 1 23 9 36 1 24 10 13 1 25 10 37 1 26 10 38 1 27 11 16 1 28 11 17 1 29 11 39 1 30 12 13 1 31 12 40 1 32 13 41 1 33 13 42 1 34 14 43 1 35 14 44 1 36 14 45 1 37 15 18 1 38 15 46 1 39 15 47 1 40 16 19 1 41 16 48 1 42 16 49 1 43 17 50 1 44 17 51 1 45 17 52 1 46 18 20 1 47 18 54 1 48 18 55 1 49 19 21 1 50 19 57 1 51 19 58 1 52 20 23 ar 53 20 24 ar 54 21 22 1 55 21 59 1 56 21 60 1 57 22 25 1 58 22 26 1 59 22 61 1 60 23 27 ar 61 23 29 1 62 24 28 ar 63 24 62 1 64 25 63 1 65 25 64 1 66 25 65 1 67 26 66 1 68 26 67 1 69 26 68 1 70 27 30 ar 71 27 69 1 72 28 30 ar 73 29 70 1 74 29 71 1 75 29 72 1 76 30 73 1