@MOLECULE imagabalin 31 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0997 1.8618 -0.2194 O.3 1 UNL1111111111 -0.5667 2 O -2.9500 0.2266 1.2853 O.2 1 UNL1111111111 -0.5041 3 N -0.4730 -1.8896 -1.5762 N.3 1 UNL1111111111 -0.6612 4 C 1.3889 -0.7753 0.5108 C.3 1 UNL1111111111 -0.0715 5 C 0.1937 -0.0233 -0.1049 C.3 1 UNL1111111111 -0.3114 6 C -0.9415 -0.9779 -0.5235 C.3 1 UNL1111111111 0.0955 7 C 2.5824 0.1824 0.6929 C.3 1 UNL1111111111 -0.2918 8 C 1.0109 -1.3745 1.8711 C.3 1 UNL1111111111 -0.4541 9 C 3.2307 0.5626 -0.6444 C.3 1 UNL1111111111 -0.2499 10 C -2.1704 -0.1400 -0.9936 C.3 1 UNL1111111111 -0.4299 11 C 4.4165 1.5025 -0.4239 C.3 1 UNL1111111111 -0.4408 12 C -2.7582 0.6003 0.1589 C.2 1 UNL1111111111 0.6527 13 H 1.6831 -1.6056 -0.1779 H 1 UNL1111111111 0.1537 14 H -0.1915 0.7137 0.6256 H 1 UNL1111111111 0.1483 15 H 0.5327 0.5647 -0.9781 H 1 UNL1111111111 0.1410 16 H -1.2511 -1.6070 0.3558 H 1 UNL1111111111 0.1628 17 H 2.2585 1.0915 1.2313 H 1 UNL1111111111 0.1382 18 H 3.3405 -0.2943 1.3431 H 1 UNL1111111111 0.1387 19 H 0.6694 -0.6056 2.5719 H 1 UNL1111111111 0.1453 20 H 0.2048 -2.1108 1.7708 H 1 UNL1111111111 0.1482 21 H 1.8615 -1.8905 2.3281 H 1 UNL1111111111 0.1407 22 H 2.4893 1.0454 -1.3079 H 1 UNL1111111111 0.1306 23 H 3.5626 -0.3493 -1.1756 H 1 UNL1111111111 0.1345 24 H -2.9444 -0.8056 -1.4282 H 1 UNL1111111111 0.1780 25 H -1.8784 0.5541 -1.8088 H 1 UNL1111111111 0.1849 26 H -0.0864 -1.4132 -2.3710 H 1 UNL1111111111 0.2541 27 H -1.1761 -2.5419 -1.8739 H 1 UNL1111111111 0.2550 28 H 4.1104 2.4178 0.0947 H 1 UNL1111111111 0.1423 29 H 4.8708 1.7994 -1.3753 H 1 UNL1111111111 0.1393 30 H 5.1971 1.0273 0.1802 H 1 UNL1111111111 0.1419 31 H -3.5029 2.4004 0.5046 H 1 UNL1111111111 0.3555 @BOND 1 1 12 1 2 1 31 1 3 2 12 2 4 3 6 1 5 3 26 1 6 3 27 1 7 4 5 1 8 4 7 1 9 4 8 1 10 4 13 1 11 5 6 1 12 5 14 1 13 5 15 1 14 6 10 1 15 6 16 1 16 7 9 1 17 7 17 1 18 7 18 1 19 8 19 1 20 8 20 1 21 8 21 1 22 9 11 1 23 9 22 1 24 9 23 1 25 10 12 1 26 10 24 1 27 10 25 1 28 11 28 1 29 11 29 1 30 11 30 1