@MOLECULE lipiferolide 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5607 0.7238 0.9277 O.3 1 UNL1111111111 -0.3637 2 O 0.2613 1.7762 -1.1416 O.3 1 UNL1111111111 -0.4014 3 O 1.7866 -0.7082 -0.3529 O.3 1 UNL1111111111 -0.4479 4 O 1.8271 3.3342 -0.8582 O.2 1 UNL1111111111 -0.4339 5 O 3.6768 -1.6929 0.3551 O.2 1 UNL1111111111 -0.5173 6 C -3.0681 0.5593 -0.4045 C.3 1 UNL1111111111 0.1994 7 C -1.8127 1.3314 -0.1238 C.3 1 UNL1111111111 -0.0694 8 C -0.4215 0.7802 -0.3599 C.3 1 UNL1111111111 0.1044 9 C 0.3761 0.6195 0.9649 C.3 1 UNL1111111111 -0.1903 10 C -3.0498 -0.8400 -0.9775 C.3 1 UNL1111111111 -0.2979 11 C -4.3304 1.3352 -0.6714 C.3 1 UNL1111111111 -0.4720 12 C 1.2923 -0.6219 0.9864 C.3 1 UNL1111111111 0.1451 13 C -3.0605 -1.9218 0.1184 C.3 1 UNL1111111111 -0.2502 14 C 1.2231 1.8574 0.9893 C.2 1 UNL1111111111 -0.1351 15 C 0.6085 -1.9439 1.3600 C.3 1 UNL1111111111 -0.3405 16 C 1.1908 2.4413 -0.3763 C.2 1 UNL1111111111 0.5871 17 C -1.8084 -1.8446 0.9286 C.2 1 UNL1111111111 -0.1897 18 C -0.5954 -2.2319 0.5137 C.2 1 UNL1111111111 0.0121 19 C 1.8978 2.3742 2.0105 C.2 1 UNL1111111111 -0.2187 20 C -0.3165 -2.9336 -0.7712 C.3 1 UNL1111111111 -0.4514 21 C 3.0179 -1.2454 -0.5472 C.2 1 UNL1111111111 0.6351 22 C 3.3638 -1.1719 -1.9929 C.3 1 UNL1111111111 -0.5121 23 H -1.8499 2.4298 -0.1333 H 1 UNL1111111111 0.1702 24 H -0.4025 -0.1284 -0.9982 H 1 UNL1111111111 0.1748 25 H -0.3259 0.5640 1.8317 H 1 UNL1111111111 0.1906 26 H -2.1613 -0.9765 -1.6282 H 1 UNL1111111111 0.1554 27 H -3.9206 -0.9898 -1.6468 H 1 UNL1111111111 0.1493 28 H -4.4161 1.6037 -1.7322 H 1 UNL1111111111 0.1608 29 H -5.2215 0.7562 -0.3940 H 1 UNL1111111111 0.1594 30 H -4.3699 2.2665 -0.0886 H 1 UNL1111111111 0.1655 31 H 2.1549 -0.4452 1.6779 H 1 UNL1111111111 0.1508 32 H -3.1789 -2.9228 -0.3429 H 1 UNL1111111111 0.1417 33 H -3.9510 -1.7851 0.7653 H 1 UNL1111111111 0.1463 34 H 0.3413 -1.9233 2.4374 H 1 UNL1111111111 0.1589 35 H 1.3563 -2.7635 1.2683 H 1 UNL1111111111 0.1724 36 H -1.9417 -1.3704 1.9025 H 1 UNL1111111111 0.1562 37 H 1.9113 1.9435 3.0025 H 1 UNL1111111111 0.1559 38 H 2.4938 3.2771 1.9244 H 1 UNL1111111111 0.1671 39 H -1.2202 -3.1266 -1.3619 H 1 UNL1111111111 0.1489 40 H 0.1612 -3.9080 -0.5914 H 1 UNL1111111111 0.1549 41 H 0.3710 -2.3488 -1.4023 H 1 UNL1111111111 0.1631 42 H 4.3071 -0.6179 -2.1342 H 1 UNL1111111111 0.1906 43 H 2.5897 -0.6616 -2.5905 H 1 UNL1111111111 0.1915 44 H 3.5094 -2.1792 -2.4123 H 1 UNL1111111111 0.1840 @BOND 1 1 6 1 2 1 7 1 3 2 8 1 4 2 16 1 5 3 12 1 6 3 21 1 7 4 16 2 8 5 21 2 9 6 7 1 10 6 10 1 11 6 11 1 12 7 8 1 13 7 23 1 14 8 9 1 15 8 24 1 16 9 12 1 17 9 14 1 18 9 25 1 19 10 13 1 20 10 26 1 21 10 27 1 22 11 28 1 23 11 29 1 24 11 30 1 25 12 15 1 26 12 31 1 27 13 17 1 28 13 32 1 29 13 33 1 30 14 16 1 31 14 19 2 32 15 18 1 33 15 34 1 34 15 35 1 35 17 18 2 36 17 36 1 37 18 20 1 38 19 37 1 39 19 38 1 40 20 39 1 41 20 40 1 42 20 41 1 43 21 22 1 44 22 42 1 45 22 43 1 46 22 44 1