@MOLECULE (2alpha,8beta,11alpha,13r,20xi)-11,14-dihydroxyhetisan-2,13-diyl diacetate 62 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7257 0.4527 2.3647 O.3 1 UNL1111111111 -0.5539 2 O 1.0947 -1.8503 0.0841 O.3 1 UNL1111111111 -0.4922 3 O 1.3551 -0.9686 -2.4797 O.3 1 UNL1111111111 -0.5672 4 O -2.5414 -1.1089 -0.1820 O.3 1 UNL1111111111 -0.4685 5 O 1.9545 -3.5800 1.2429 O.2 1 UNL1111111111 -0.4834 6 O -4.6979 -1.6297 -0.5378 O.2 1 UNL1111111111 -0.5184 7 N -0.7253 1.4497 1.5835 N.3 1 UNL1111111111 -0.4164 8 C -0.2634 0.8475 -0.7578 C.3 1 UNL1111111111 0.0363 9 C 1.8578 1.5541 0.1624 C.3 1 UNL1111111111 0.0067 10 C -0.1404 0.3447 0.7495 C.3 1 UNL1111111111 -0.0508 11 C -0.9720 2.2290 -0.5561 C.3 1 UNL1111111111 -0.1940 12 C 1.2008 1.1601 -1.2004 C.3 1 UNL1111111111 -0.2192 13 C 1.3854 0.3284 1.0182 C.3 1 UNL1111111111 0.2289 14 C -0.3052 2.6761 0.7928 C.3 1 UNL1111111111 0.0142 15 C -2.4376 2.0135 -0.0822 C.3 1 UNL1111111111 0.0519 16 C 1.2139 2.8291 0.7131 C.3 1 UNL1111111111 -0.3173 17 C 2.0714 0.0319 -1.8160 C.3 1 UNL1111111111 0.1686 18 C -1.0355 -0.0973 -1.6525 C.3 1 UNL1111111111 -0.3188 19 C -2.2095 1.4451 1.3688 C.3 1 UNL1111111111 -0.1497 20 C 2.1116 -0.9482 0.5236 C.3 1 UNL1111111111 0.1110 21 C 2.9601 -0.6239 -0.7219 C.3 1 UNL1111111111 -0.2356 22 C 3.3794 1.6763 0.1291 C.3 1 UNL1111111111 -0.3097 23 C -3.2235 1.0779 -0.9967 C.3 1 UNL1111111111 -0.3479 24 C -2.5229 -0.2330 -1.3262 C.3 1 UNL1111111111 0.1547 25 C 3.9935 0.3894 -0.3316 C.2 1 UNL1111111111 0.0535 26 C -3.1873 3.3496 -0.0218 C.3 1 UNL1111111111 -0.4702 27 C 5.3061 0.1733 -0.3969 C.2 1 UNL1111111111 -0.3688 28 C 1.0953 -3.1350 0.5340 C.2 1 UNL1111111111 0.6398 29 C -3.7022 -1.7300 0.1314 C.2 1 UNL1111111111 0.6309 30 C -0.1086 -3.8220 -0.0153 C.3 1 UNL1111111111 -0.5175 31 C -3.5227 -2.5189 1.3842 C.3 1 UNL1111111111 -0.5137 32 H -0.6358 -0.6175 0.9517 H 1 UNL1111111111 0.1711 33 H -0.8724 2.9085 -1.4011 H 1 UNL1111111111 0.1478 34 H 1.1926 2.0089 -1.9110 H 1 UNL1111111111 0.1492 35 H -0.7571 3.5871 1.2321 H 1 UNL1111111111 0.1413 36 H 1.4690 3.6976 0.0795 H 1 UNL1111111111 0.1482 37 H 1.6185 3.0463 1.7232 H 1 UNL1111111111 0.1643 38 H 2.7034 0.4502 -2.6353 H 1 UNL1111111111 0.1433 39 H -0.6014 -1.1236 -1.5795 H 1 UNL1111111111 0.1705 40 H -0.9135 0.2076 -2.7133 H 1 UNL1111111111 0.1728 41 H -2.6705 2.0861 2.1413 H 1 UNL1111111111 0.1453 42 H -2.6232 0.4324 1.4966 H 1 UNL1111111111 0.1520 43 H 2.7177 -1.3997 1.3440 H 1 UNL1111111111 0.1825 44 H 3.4096 -1.5582 -1.1274 H 1 UNL1111111111 0.1734 45 H 3.7488 1.9249 1.1496 H 1 UNL1111111111 0.1749 46 H 3.6912 2.5149 -0.5226 H 1 UNL1111111111 0.1554 47 H -3.4445 1.6022 -1.9515 H 1 UNL1111111111 0.1590 48 H -4.2172 0.8617 -0.5491 H 1 UNL1111111111 0.1685 49 H -3.0588 -0.7629 -2.1520 H 1 UNL1111111111 0.1397 50 H -2.6931 4.0713 0.6376 H 1 UNL1111111111 0.1484 51 H -4.2086 3.2151 0.3534 H 1 UNL1111111111 0.1511 52 H -3.2585 3.8138 -1.0120 H 1 UNL1111111111 0.1496 53 H 1.0168 0.9408 2.8532 H 1 UNL1111111111 0.3525 54 H 0.9431 -1.5735 -1.8180 H 1 UNL1111111111 0.3344 55 H 5.7451 -0.7541 -0.7266 H 1 UNL1111111111 0.1525 56 H 6.0455 0.9063 -0.1193 H 1 UNL1111111111 0.1495 57 H -0.9833 -3.1494 -0.0638 H 1 UNL1111111111 0.1933 58 H -0.3758 -4.6929 0.6026 H 1 UNL1111111111 0.1843 59 H 0.0769 -4.1865 -1.0381 H 1 UNL1111111111 0.1851 60 H -3.5663 -3.5985 1.1735 H 1 UNL1111111111 0.1833 61 H -4.3335 -2.2967 2.0969 H 1 UNL1111111111 0.1854 62 H -2.5665 -2.3084 1.8898 H 1 UNL1111111111 0.1881 @BOND 1 1 13 1 2 1 53 1 3 2 20 1 4 2 28 1 5 3 17 1 6 3 54 1 7 4 24 1 8 4 29 1 9 5 28 2 10 6 29 2 11 7 10 1 12 7 14 1 13 7 19 1 14 8 10 1 15 8 11 1 16 8 12 1 17 8 18 1 18 9 12 1 19 9 13 1 20 9 16 1 21 9 22 1 22 10 13 1 23 10 32 1 24 11 14 1 25 11 15 1 26 11 33 1 27 12 17 1 28 12 34 1 29 13 20 1 30 14 16 1 31 14 35 1 32 15 19 1 33 15 23 1 34 15 26 1 35 16 36 1 36 16 37 1 37 17 21 1 38 17 38 1 39 18 24 1 40 18 39 1 41 18 40 1 42 19 41 1 43 19 42 1 44 20 21 1 45 20 43 1 46 21 25 1 47 21 44 1 48 22 25 1 49 22 45 1 50 22 46 1 51 23 24 1 52 23 47 1 53 23 48 1 54 24 49 1 55 25 27 2 56 26 50 1 57 26 51 1 58 26 52 1 59 27 55 1 60 27 56 1 61 28 30 1 62 29 31 1 63 30 57 1 64 30 58 1 65 30 59 1 66 31 60 1 67 31 61 1 68 31 62 1