@MOLECULE gibberellin a1 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8239 -1.7164 0.1941 O.3 1 UNL1111111111 -0.4053 2 O 3.9825 -1.3080 1.3518 O.3 1 UNL1111111111 -0.5506 3 O -4.2115 0.6746 -0.7413 O.3 1 UNL1111111111 -0.5401 4 O -1.8937 -2.0238 2.1275 O.2 1 UNL1111111111 -0.4356 5 O 0.5690 3.4588 0.9471 O.3 1 UNL1111111111 -0.5532 6 O -0.4248 3.1760 -1.0265 O.2 1 UNL1111111111 -0.5155 7 C 1.1363 0.4621 -0.0050 C.3 1 UNL1111111111 0.0823 8 C -0.7952 -0.7198 -0.8474 C.3 1 UNL1111111111 0.2380 9 C 0.6629 -0.4294 -1.1933 C.3 1 UNL1111111111 -0.1640 10 C -1.3335 0.5864 -0.1802 C.3 1 UNL1111111111 -0.1884 11 C -0.1106 1.2631 0.4597 C.3 1 UNL1111111111 -0.2241 12 C -2.4040 -0.0383 0.7288 C.3 1 UNL1111111111 -0.0989 13 C 1.7003 -0.4152 1.1280 C.3 1 UNL1111111111 -0.3661 14 C 2.9943 -0.9046 0.4404 C.3 1 UNL1111111111 0.3034 15 C 2.3742 1.2856 -0.4393 C.3 1 UNL1111111111 -0.3226 16 C 1.5065 -1.6795 -1.4979 C.3 1 UNL1111111111 -0.2507 17 C -1.7635 -1.1695 -1.9328 C.3 1 UNL1111111111 -0.3160 18 C 2.6322 -2.0492 -0.5140 C.3 1 UNL1111111111 -0.3243 19 C -3.5884 -0.4593 -0.2010 C.3 1 UNL1111111111 0.1517 20 C 3.5189 0.3207 -0.2865 C.2 1 UNL1111111111 0.0140 21 C -3.1522 -1.4291 -1.3215 C.3 1 UNL1111111111 -0.3374 22 C -1.7320 -1.3440 1.1587 C.2 1 UNL1111111111 0.5673 23 C -0.0321 2.6922 0.0031 C.2 1 UNL1111111111 0.6404 24 C -2.8792 0.7993 1.8880 C.3 1 UNL1111111111 -0.4423 25 C 4.7702 0.4998 -0.6920 C.2 1 UNL1111111111 -0.3376 26 H 0.6655 0.2070 -2.1172 H 1 UNL1111111111 0.1569 27 H -1.7915 1.2702 -0.9300 H 1 UNL1111111111 0.1744 28 H -0.1724 1.2368 1.5777 H 1 UNL1111111111 0.1955 29 H 1.0306 -1.2357 1.4232 H 1 UNL1111111111 0.1718 30 H 1.9257 0.1651 2.0367 H 1 UNL1111111111 0.1623 31 H 2.5265 2.1607 0.2247 H 1 UNL1111111111 0.1722 32 H 2.2872 1.6816 -1.4635 H 1 UNL1111111111 0.1586 33 H 1.9585 -1.5515 -2.5031 H 1 UNL1111111111 0.1378 34 H 0.8276 -2.5532 -1.5879 H 1 UNL1111111111 0.1500 35 H -1.3939 -2.0940 -2.4191 H 1 UNL1111111111 0.1614 36 H -1.8212 -0.4115 -2.7359 H 1 UNL1111111111 0.1545 37 H 2.3318 -2.9334 0.0810 H 1 UNL1111111111 0.1484 38 H 3.5355 -2.3591 -1.0738 H 1 UNL1111111111 0.1534 39 H -4.4145 -0.9042 0.4048 H 1 UNL1111111111 0.1555 40 H -3.9208 -1.4024 -2.1207 H 1 UNL1111111111 0.1650 41 H -3.1796 -2.4636 -0.9203 H 1 UNL1111111111 0.1614 42 H -3.4910 1.6465 1.5406 H 1 UNL1111111111 0.1714 43 H -3.5051 0.2124 2.5786 H 1 UNL1111111111 0.1691 44 H -2.0533 1.2074 2.4837 H 1 UNL1111111111 0.1554 45 H 3.6548 -2.0255 1.9293 H 1 UNL1111111111 0.3181 46 H 5.5481 -0.2319 -0.5232 H 1 UNL1111111111 0.1621 47 H 5.1188 1.3827 -1.2006 H 1 UNL1111111111 0.1464 48 H -3.5957 1.2042 -1.2901 H 1 UNL1111111111 0.3176 49 H 0.6436 4.4135 0.6967 H 1 UNL1111111111 0.3566 @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