@MOLECULE gemfibrozil 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7494 0.0813 0.4480 O.3 1 UNL111111111 -0.3330 2 O 3.2861 -1.5919 0.7024 O.3 1 UNL111111111 -0.5606 3 O 4.5431 0.0944 1.4181 O.2 1 UNL111111111 -0.5187 4 C 3.3366 0.3109 -0.7122 C.3 1 UNL111111111 0.0330 5 C 1.8037 0.4557 -0.6646 C.3 1 UNL111111111 -0.2756 6 C 1.2978 1.1736 0.5910 C.3 1 UNL111111111 -0.2886 7 C 4.0314 1.6683 -0.8448 C.3 1 UNL111111111 -0.4533 8 C 3.7319 -0.5963 -1.8849 C.3 1 UNL111111111 -0.4532 9 C -0.2130 1.4053 0.5013 C.3 1 UNL111111111 -0.0466 10 C 3.8094 -0.3435 0.5717 C.2 1 UNL111111111 0.6219 11 C -2.0791 -0.0463 0.2005 C.ar 1 UNL111111111 0.2329 12 C -2.4639 -1.3833 -0.0341 C.ar 1 UNL111111111 -0.0788 13 C -2.9996 0.9963 0.1865 C.ar 1 UNL111111111 -0.3340 14 C -4.3460 0.7045 -0.0616 C.ar 1 UNL111111111 0.1003 15 C -3.8057 -1.6443 -0.2783 C.ar 1 UNL111111111 -0.1058 16 C -4.7449 -0.6098 -0.2913 C.ar 1 UNL111111111 -0.2497 17 C -1.4333 -2.4551 -0.0114 C.3 1 UNL111111111 -0.4244 18 C -5.3444 1.8140 -0.0612 C.3 1 UNL111111111 -0.4566 19 H 1.4604 0.9849 -1.5731 H 1 UNL111111111 0.1480 20 H 1.3357 -0.5532 -0.7122 H 1 UNL111111111 0.1712 21 H 1.5269 0.5677 1.4923 H 1 UNL111111111 0.1603 22 H 1.8103 2.1437 0.7316 H 1 UNL111111111 0.1500 23 H 3.7242 2.1847 -1.7601 H 1 UNL111111111 0.1512 24 H 3.8076 2.3264 0.0046 H 1 UNL111111111 0.1588 25 H 5.1242 1.5591 -0.8730 H 1 UNL111111111 0.1589 26 H 4.8144 -0.7683 -1.9183 H 1 UNL111111111 0.1524 27 H 3.2467 -1.5800 -1.8131 H 1 UNL111111111 0.1661 28 H 3.4404 -0.1532 -2.8440 H 1 UNL111111111 0.1534 29 H -0.4979 1.9605 -0.4074 H 1 UNL111111111 0.1273 30 H -0.6066 1.9156 1.3974 H 1 UNL111111111 0.1289 31 H 3.5608 -2.0489 1.5337 H 1 UNL111111111 0.3508 32 H -2.6994 2.0204 0.3711 H 1 UNL111111111 0.1617 33 H -4.1342 -2.6666 -0.4645 H 1 UNL111111111 0.1514 34 H -5.7893 -0.8385 -0.4826 H 1 UNL111111111 0.1549 35 H -1.8525 -3.4551 -0.1738 H 1 UNL111111111 0.1479 36 H -0.6684 -2.2833 -0.7850 H 1 UNL111111111 0.1594 37 H -0.9006 -2.4701 0.9537 H 1 UNL111111111 0.1642 38 H -5.5743 2.1299 0.9680 H 1 UNL111111111 0.1622 39 H -4.9735 2.6981 -0.5983 H 1 UNL111111111 0.1567 40 H -6.2949 1.5280 -0.5304 H 1 UNL111111111 0.1553 @BOND 1 1 9 1 2 1 11 1 3 2 10 1 4 2 31 1 5 3 10 2 6 4 5 1 7 4 7 1 8 4 8 1 9 4 10 1 10 5 6 1 11 5 19 1 12 5 20 1 13 6 9 1 14 6 21 1 15 6 22 1 16 7 23 1 17 7 24 1 18 7 25 1 19 8 26 1 20 8 27 1 21 8 28 1 22 9 29 1 23 9 30 1 24 11 12 ar 25 11 13 ar 26 12 15 ar 27 12 17 1 28 13 14 ar 29 13 32 1 30 14 16 ar 31 14 18 1 32 15 16 ar 33 15 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 17 37 1 38 18 38 1 39 18 39 1 40 18 40 1