@MOLECULE gibberellin a1 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7028 1.6458 1.1563 O.3 1 UNL1111111111 -0.4052 2 O 4.7273 0.0451 0.8957 O.3 1 UNL1111111111 -0.5487 3 O -4.2930 -0.0522 -1.5721 O.3 1 UNL1111111111 -0.5456 4 O -3.8942 1.3129 1.5007 O.2 1 UNL1111111111 -0.4363 5 O 0.6159 -3.3972 -0.8148 O.3 1 UNL1111111111 -0.5658 6 O 0.1118 -2.9888 1.3174 O.2 1 UNL1111111111 -0.4942 7 C 1.2349 -0.2833 -0.0810 C.3 1 UNL1111111111 0.0713 8 C -0.7412 1.0448 0.2740 C.3 1 UNL1111111111 0.2367 9 C 0.7071 0.9758 0.7280 C.3 1 UNL1111111111 -0.1690 10 C -1.1212 -0.4800 0.4229 C.3 1 UNL1111111111 -0.2074 11 C -0.0146 -1.1955 -0.3377 C.3 1 UNL1111111111 -0.2126 12 C -2.6217 -0.3641 0.1636 C.3 1 UNL1111111111 -0.0871 13 C 2.4182 -0.7917 0.7619 C.3 1 UNL1111111111 -0.3643 14 C 3.4430 0.3385 0.4297 C.3 1 UNL1111111111 0.3007 15 C 1.9267 0.0533 -1.4356 C.3 1 UNL1111111111 -0.3149 16 C 1.6645 2.1504 0.5921 C.3 1 UNL1111111111 -0.2634 17 C -0.9744 1.6503 -1.1121 C.3 1 UNL1111111111 -0.3144 18 C 3.0578 1.6884 1.0702 C.3 1 UNL1111111111 -0.2932 19 C -2.9140 -0.0001 -1.3095 C.3 1 UNL1111111111 0.1556 20 C 3.3342 0.4357 -1.0813 C.2 1 UNL1111111111 -0.0341 21 C -2.3939 1.4129 -1.6330 C.3 1 UNL1111111111 -0.3391 22 C -2.8806 0.9148 1.0147 C.2 1 UNL1111111111 0.5713 23 C 0.2200 -2.5767 0.1941 C.2 1 UNL1111111111 0.6386 24 C -3.4383 -1.5400 0.6415 C.3 1 UNL1111111111 -0.4413 25 C 4.3073 0.7797 -1.9151 C.2 1 UNL1111111111 -0.3494 26 H 0.6911 0.7127 1.8239 H 1 UNL1111111111 0.1724 27 H -1.0128 -0.7864 1.5065 H 1 UNL1111111111 0.1892 28 H -0.2389 -1.2464 -1.4313 H 1 UNL1111111111 0.1869 29 H 2.7891 -1.7758 0.4418 H 1 UNL1111111111 0.1533 30 H 2.2101 -0.8772 1.8364 H 1 UNL1111111111 0.1697 31 H 1.4115 0.8570 -1.9895 H 1 UNL1111111111 0.1581 32 H 1.9210 -0.8328 -2.1002 H 1 UNL1111111111 0.1648 33 H 1.3168 3.0069 1.2018 H 1 UNL1111111111 0.1530 34 H 1.7154 2.5256 -0.4455 H 1 UNL1111111111 0.1447 35 H -0.2406 1.2502 -1.8382 H 1 UNL1111111111 0.1542 36 H -0.7766 2.7417 -1.0549 H 1 UNL1111111111 0.1649 37 H 3.8264 2.4438 0.8191 H 1 UNL1111111111 0.1582 38 H 3.0839 1.5905 2.1717 H 1 UNL1111111111 0.1599 39 H -2.5057 -0.7709 -1.9994 H 1 UNL1111111111 0.1511 40 H -3.0873 2.1702 -1.2118 H 1 UNL1111111111 0.1611 41 H -2.4357 1.5773 -2.7270 H 1 UNL1111111111 0.1591 42 H -3.2356 -1.7909 1.6917 H 1 UNL1111111111 0.1618 43 H -4.5193 -1.3465 0.5598 H 1 UNL1111111111 0.1715 44 H -3.2335 -2.4388 0.0437 H 1 UNL1111111111 0.1619 45 H 5.1001 -0.7354 0.4370 H 1 UNL1111111111 0.3223 46 H 5.3016 1.0430 -1.5829 H 1 UNL1111111111 0.1598 47 H 4.1934 0.8333 -2.9855 H 1 UNL1111111111 0.1500 48 H -4.7977 0.4855 -0.9224 H 1 UNL1111111111 0.3268 49 H 0.7895 -4.3272 -0.5284 H 1 UNL1111111111 0.3571 @BOND 1 1 8 1 2 1 22 1 3 2 14 1 4 2 45 1 5 3 19 1 6 3 48 1 7 4 22 2 8 5 23 1 9 5 49 1 10 6 23 2 11 7 9 1 12 7 11 1 13 7 13 1 14 7 15 1 15 8 9 1 16 8 10 1 17 8 17 1 18 9 16 1 19 9 26 1 20 10 11 1 21 10 12 1 22 10 27 1 23 11 23 1 24 11 28 1 25 12 19 1 26 12 22 1 27 12 24 1 28 13 14 1 29 13 29 1 30 13 30 1 31 14 18 1 32 14 20 1 33 15 20 1 34 15 31 1 35 15 32 1 36 16 18 1 37 16 33 1 38 16 34 1 39 17 21 1 40 17 35 1 41 17 36 1 42 18 37 1 43 18 38 1 44 19 21 1 45 19 39 1 46 20 25 2 47 21 40 1 48 21 41 1 49 24 42 1 50 24 43 1 51 24 44 1 52 25 46 1 53 25 47 1