@MOLECULE gibberellic acid 47 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.0548 -1.7261 0.6350 O.3 1 UNL1111111 -0.4015 2 O 4.4081 -0.7484 1.2092 O.3 1 UNL1111111 -0.5513 3 O -4.1191 0.6138 -1.3313 O.3 1 UNL1111111 -0.5297 4 O -2.4926 -1.5321 2.3327 O.2 1 UNL1111111 -0.4296 5 O 0.2788 3.2596 1.1747 O.3 1 UNL1111111 -0.5610 6 O -0.2176 3.0856 -0.9895 O.2 1 UNL1111111 -0.4996 7 C 1.1669 0.3095 -0.0193 C.3 1 UNL1111111 0.0808 8 C 0.7069 -0.9545 -0.8281 C.3 1 UNL1111111 -0.1550 9 C -1.2806 0.4304 -0.3350 C.3 1 UNL1111111 -0.1732 10 C -0.7963 -1.0290 -0.6121 C.3 1 UNL1111111 0.2250 11 C -0.1085 1.0812 0.4067 C.3 1 UNL1111111 -0.2283 12 C 2.0222 -0.1443 1.1808 C.3 1 UNL1111111 -0.3606 13 C -2.5513 0.1028 0.4685 C.3 1 UNL1111111 -0.1046 14 C 3.2588 -0.6728 0.4105 C.3 1 UNL1111111 0.3015 15 C 2.1925 1.1110 -0.8675 C.3 1 UNL1111111 -0.3179 16 C 1.4316 -2.2404 -0.4056 C.3 1 UNL1111111 -0.2601 17 C 2.9449 -2.0325 -0.2473 C.3 1 UNL1111111 -0.3302 18 C 3.4953 0.3928 -0.6474 C.2 1 UNL1111111 0.0017 19 C -1.6906 -1.6585 -1.6320 C.2 1 UNL1111111 -0.1963 20 C -3.6009 -0.4447 -0.5536 C.3 1 UNL1111111 0.1318 21 C -2.0911 -1.1070 1.2915 C.2 1 UNL1111111 0.5614 22 C -0.0343 2.5395 0.0654 C.2 1 UNL1111111 0.6379 23 C -3.0949 1.2118 1.3331 C.3 1 UNL1111111 -0.4506 24 C -2.9980 -1.3809 -1.5816 C.2 1 UNL1111111 -0.1415 25 C 4.6541 0.6467 -1.2427 C.2 1 UNL1111111 -0.3357 26 H 0.9041 -0.7792 -1.9138 H 1 UNL1111111 0.1615 27 H -1.5248 0.9834 -1.2717 H 1 UNL1111111 0.2012 28 H -0.2370 0.9676 1.5166 H 1 UNL1111111 0.1942 29 H 1.5337 -0.8980 1.8107 H 1 UNL1111111 0.1610 30 H 2.2964 0.6957 1.8399 H 1 UNL1111111 0.1650 31 H 2.2841 2.1590 -0.5208 H 1 UNL1111111 0.1646 32 H 1.9071 1.1733 -1.9307 H 1 UNL1111111 0.1648 33 H 1.2347 -3.0374 -1.1470 H 1 UNL1111111 0.1400 34 H 1.0084 -2.6241 0.5470 H 1 UNL1111111 0.1643 35 H 3.3800 -2.8514 0.3539 H 1 UNL1111111 0.1485 36 H 3.4499 -2.0944 -1.2294 H 1 UNL1111111 0.1544 37 H -1.2392 -2.3283 -2.3540 H 1 UNL1111111 0.1660 38 H -4.4415 -0.9377 -0.0100 H 1 UNL1111111 0.1364 39 H -2.3820 1.5060 2.1193 H 1 UNL1111111 0.1695 40 H -3.3098 2.1182 0.7509 H 1 UNL1111111 0.1598 41 H -4.0143 0.9092 1.8556 H 1 UNL1111111 0.1655 42 H -3.7188 -1.7787 -2.2939 H 1 UNL1111111 0.1667 43 H 4.2598 -1.3266 1.9828 H 1 UNL1111111 0.3179 44 H 5.5609 0.1055 -1.0097 H 1 UNL1111111 0.1627 45 H 4.7947 1.4136 -1.9862 H 1 UNL1111111 0.1481 46 H -4.5656 1.2770 -0.7646 H 1 UNL1111111 0.3185 47 H 0.3529 4.2319 1.0128 H 1 UNL1111111 0.3556 @BOND 1 37 19 1 2 42 24 1 3 45 25 1 4 32 15 1 5 26 8 1 6 19 24 2 7 19 10 1 8 24 20 1 9 3 46 1 10 3 20 1 11 27 9 1 12 25 44 1 13 25 18 2 14 36 17 1 15 33 16 1 16 6 22 2 17 15 18 1 18 15 31 1 19 15 7 1 20 8 10 1 21 8 16 1 22 8 7 1 23 18 14 1 24 10 9 1 25 10 1 1 26 20 38 1 27 20 13 1 28 16 17 1 29 16 34 1 30 9 11 1 31 9 13 1 32 17 35 1 33 17 14 1 34 7 11 1 35 7 12 1 36 22 11 1 37 22 5 1 38 11 28 1 39 14 12 1 40 14 2 1 41 13 21 1 42 13 23 1 43 1 21 1 44 40 23 1 45 47 5 1 46 12 29 1 47 12 30 1 48 2 43 1 49 21 4 2 50 23 41 1 51 23 39 1