@MOLECULE methyl (28e,30s)-30-hydroxy-28-dotriacontene-2,9,14,19,21,31-hexaynoate 76 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.4627 -1.7753 -0.9550 O.3 1 UNL1111111111 -0.5431 2 O -3.1806 -0.5256 2.8206 O.3 1 UNL1111111111 -0.3791 3 O -4.8865 -1.1672 1.5079 O.2 1 UNL1111111111 -0.5222 4 C -2.2251 3.7776 -0.3756 C.3 1 UNL1111111111 -0.2701 5 C -2.7363 2.5961 -1.2066 C.3 1 UNL1111111111 -0.2580 6 C -2.4818 3.6261 1.1300 C.3 1 UNL1111111111 -0.2494 7 C 0.7298 -2.3886 -0.0094 C.3 1 UNL1111111111 -0.2696 8 C -4.2709 2.5621 -1.2898 C.3 1 UNL1111111111 -0.2784 9 C 1.4144 -3.7597 -0.0476 C.3 1 UNL1111111111 -0.2594 10 C -0.0804 -2.1570 -1.2900 C.3 1 UNL1111111111 -0.2435 11 C -1.7502 2.4207 1.7527 C.3 1 UNL1111111111 -0.2505 12 C 2.3382 -3.9508 1.1717 C.3 1 UNL1111111111 -0.2378 13 C -0.8331 -0.8129 -1.2354 C.3 1 UNL1111111111 -0.2726 14 C -4.7000 1.2842 -1.9337 C.2 1 UNL1111111111 -0.1470 15 C -5.4140 0.3596 -1.2900 C.2 1 UNL1111111111 -0.2236 16 C 3.5170 -3.1438 1.0545 C.1 1 UNL1111111111 -0.0998 17 C -0.3508 2.4328 1.4592 C.1 1 UNL1111111111 -0.0135 18 C 6.5330 -2.0878 -0.3955 C.3 1 UNL1111111111 -0.2433 19 C 5.6819 -1.6463 0.8097 C.3 1 UNL1111111111 -0.2336 20 C -5.8153 -0.9545 -1.9053 C.3 1 UNL1111111111 0.1787 21 C -1.8519 -0.8466 -0.2318 C.1 1 UNL1111111111 0.1373 22 C 7.7654 -1.1764 -0.5622 C.3 1 UNL1111111111 -0.2392 23 C 4.5109 -2.4609 0.9380 C.1 1 UNL1111111111 -0.1145 24 C 5.0029 2.6939 -1.1237 C.3 1 UNL1111111111 -0.2411 25 C 6.5068 2.5979 -1.4476 C.3 1 UNL1111111111 -0.2385 26 C 4.7543 2.5225 0.3872 C.3 1 UNL1111111111 -0.2409 27 C 0.8368 2.4385 1.1973 C.1 1 UNL1111111111 -0.1085 28 C 7.3684 0.1607 -0.8915 C.1 1 UNL1111111111 -0.1020 29 C -2.7109 -0.8761 0.6249 C.1 1 UNL1111111111 -0.2990 30 C 6.9970 1.2827 -1.1586 C.1 1 UNL1111111111 -0.1128 31 C -4.6703 -1.6497 -2.4576 C.1 1 UNL1111111111 -0.0876 32 C 3.3532 2.4899 0.6726 C.1 1 UNL1111111111 -0.0494 33 C 2.1624 2.4586 0.9161 C.1 1 UNL1111111111 -0.0729 34 C -3.7134 -0.8963 1.6217 C.2 1 UNL1111111111 0.6633 35 C -3.7175 -2.2399 -2.9133 C.1 1 UNL1111111111 -0.2233 36 C -4.0903 -0.4981 3.9153 C.3 1 UNL1111111111 -0.1739 37 H -1.1358 3.8990 -0.5488 H 1 UNL1111111111 0.1453 38 H -2.6886 4.7163 -0.7339 H 1 UNL1111111111 0.1336 39 H -2.3642 1.6453 -0.7777 H 1 UNL1111111111 0.1429 40 H -2.3110 2.6507 -2.2267 H 1 UNL1111111111 0.1317 41 H -2.1623 4.5529 1.6459 H 1 UNL1111111111 0.1380 42 H -3.5671 3.5283 1.3221 H 1 UNL1111111111 0.1379 43 H 1.4885 -1.5908 0.1156 H 1 UNL1111111111 0.1529 44 H 0.0735 -2.3168 0.8801 H 1 UNL1111111111 0.1475 45 H -4.6430 3.4305 -1.8691 H 1 UNL1111111111 0.1448 46 H -4.7091 2.6742 -0.2780 H 1 UNL1111111111 0.1470 47 H 2.0053 -3.8669 -0.9775 H 1 UNL1111111111 0.1411 48 H 0.6574 -4.5637 -0.0699 H 1 UNL1111111111 0.1369 49 H 0.5916 -2.1649 -2.1694 H 1 UNL1111111111 0.1413 50 H -0.7984 -2.9850 -1.4455 H 1 UNL1111111111 0.1451 51 H -2.2163 1.4687 1.3941 H 1 UNL1111111111 0.1758 52 H -1.9188 2.4130 2.8562 H 1 UNL1111111111 0.1649 53 H 1.7844 -3.7093 2.1100 H 1 UNL1111111111 0.1632 54 H 2.6141 -5.0284 1.2666 H 1 UNL1111111111 0.1544 55 H -0.1096 0.0176 -1.0371 H 1 UNL1111111111 0.1858 56 H -1.2751 -0.5865 -2.2367 H 1 UNL1111111111 0.1753 57 H -4.3674 1.1497 -2.9619 H 1 UNL1111111111 0.1448 58 H -5.7565 0.4871 -0.2615 H 1 UNL1111111111 0.1724 59 H 5.9193 -2.0649 -1.3169 H 1 UNL1111111111 0.1486 60 H 6.8535 -3.1384 -0.2682 H 1 UNL1111111111 0.1426 61 H 5.3968 -0.5716 0.6899 H 1 UNL1111111111 0.1653 62 H 6.2936 -1.6857 1.7410 H 1 UNL1111111111 0.1584 63 H -6.6227 -0.8140 -2.6775 H 1 UNL1111111111 0.1664 64 H 8.4329 -1.5941 -1.3513 H 1 UNL1111111111 0.1577 65 H 8.3750 -1.1891 0.3718 H 1 UNL1111111111 0.1592 66 H 4.6036 3.6663 -1.4651 H 1 UNL1111111111 0.1426 67 H 4.4478 1.9178 -1.6862 H 1 UNL1111111111 0.1518 68 H 7.0716 3.3687 -0.8734 H 1 UNL1111111111 0.1585 69 H 6.6743 2.8540 -2.5201 H 1 UNL1111111111 0.1575 70 H 5.2497 1.5847 0.7438 H 1 UNL1111111111 0.1710 71 H 5.2559 3.3441 0.9508 H 1 UNL1111111111 0.1626 72 H -5.9478 -1.8018 -0.1107 H 1 UNL1111111111 0.3445 73 H -2.9167 -2.7487 -3.3048 H 1 UNL1111111111 0.1807 74 H -3.4498 -0.2048 4.7551 H 1 UNL1111111111 0.1459 75 H -4.5268 -1.4897 4.0755 H 1 UNL1111111111 0.1427 76 H -4.8783 0.2396 3.7325 H 1 UNL1111111111 0.1402 @BOND 1 1 20 1 2 1 72 1 3 2 34 1 4 2 36 1 5 3 34 2 6 4 5 1 7 4 6 1 8 4 37 1 9 4 38 1 10 5 8 1 11 5 39 1 12 5 40 1 13 6 11 1 14 6 41 1 15 6 42 1 16 7 9 1 17 7 10 1 18 7 43 1 19 7 44 1 20 8 14 1 21 8 45 1 22 8 46 1 23 9 12 1 24 9 47 1 25 9 48 1 26 10 13 1 27 10 49 1 28 10 50 1 29 11 17 1 30 11 51 1 31 11 52 1 32 12 16 1 33 12 53 1 34 12 54 1 35 13 21 1 36 13 55 1 37 13 56 1 38 14 15 2 39 14 57 1 40 15 20 1 41 15 58 1 42 16 23 3 43 17 27 3 44 18 19 1 45 18 22 1 46 18 59 1 47 18 60 1 48 19 23 1 49 19 61 1 50 19 62 1 51 20 31 1 52 20 63 1 53 21 29 3 54 22 28 1 55 22 64 1 56 22 65 1 57 24 25 1 58 24 26 1 59 24 66 1 60 24 67 1 61 25 30 1 62 25 68 1 63 25 69 1 64 26 32 1 65 26 70 1 66 26 71 1 67 27 33 1 68 28 30 3 69 29 34 1 70 31 35 3 71 32 33 3 72 35 73 1 73 36 74 1 74 36 75 1 75 36 76 1