@MOLECULE elinogrel 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.8403 -3.8269 -1.4095 Cl 1 UNL111111111 -0.0041 2 S -5.8671 1.4579 0.8548 S.O2 1 UNL111111111 2.4327 3 S -6.5642 -0.8527 -1.0588 S.2 1 UNL111111111 0.4177 4 F 7.6356 -3.1402 1.2126 F 1 UNL111111111 -0.1592 5 O 3.0080 -1.2363 0.3189 O.2 1 UNL111111111 -0.4629 6 O 3.9364 3.0201 -1.0554 O.2 1 UNL111111111 -0.4959 7 O -6.8370 2.2362 0.1211 O.2 1 UNL111111111 -0.9053 8 O -5.7092 1.6046 2.2716 O.2 1 UNL111111111 -0.8551 9 O -2.9371 0.5145 1.0303 O.2 1 UNL111111111 -0.5198 10 N 3.4066 0.9056 -0.2910 N.ar 1 UNL111111111 -0.5232 11 N 5.6667 1.6105 -0.6982 N.ar 1 UNL111111111 -0.5560 12 N 9.4270 -1.3200 0.2283 N.pl3 1 UNL111111111 -0.4778 13 N -2.0944 2.1320 -0.3924 N.am 1 UNL111111111 -0.5914 14 N -4.3910 1.9789 0.0408 N.am 1 UNL111111111 -0.9225 15 C 5.2882 -0.6022 0.1674 C.ar 1 UNL111111111 -0.3472 16 C 6.1827 0.3943 -0.2608 C.ar 1 UNL111111111 0.3543 17 C 3.8476 -0.4002 0.0926 C.ar 1 UNL111111111 0.6281 18 C 1.9944 1.1868 -0.3157 C.ar 1 UNL111111111 0.1393 19 C 4.2855 1.9179 -0.6938 C.ar 1 UNL111111111 0.7115 20 C 7.5691 0.1738 -0.2689 C.ar 1 UNL111111111 -0.4375 21 C 5.7949 -1.8161 0.6648 C.ar 1 UNL111111111 0.0060 22 C 8.0878 -1.0461 0.1989 C.ar 1 UNL111111111 0.3142 23 C 7.1538 -2.0151 0.6988 C.ar 1 UNL111111111 -0.0465 24 C 1.4294 1.8249 -1.4272 C.ar 1 UNL111111111 -0.1090 25 C 1.1892 0.8101 0.7684 C.ar 1 UNL111111111 -0.1065 26 C -0.7326 1.7519 -0.3415 C.ar 1 UNL111111111 0.2206 27 C 0.0705 2.1090 -1.4398 C.ar 1 UNL111111111 -0.2476 28 C -0.1729 1.0880 0.7573 C.ar 1 UNL111111111 -0.2011 29 C -3.1145 1.4643 0.2990 C.2 1 UNL111111111 0.7485 30 C -6.0460 -0.2176 0.4671 C.ar 1 UNL111111111 -0.6006 31 C 10.3890 -0.4871 -0.4931 C.3 1 UNL111111111 -0.2350 32 C -5.8292 -1.2303 1.3722 C.ar 1 UNL111111111 -0.0084 33 C -6.0777 -2.5311 0.8383 C.ar 1 UNL111111111 -0.2255 34 C -6.4773 -2.4814 -0.4699 C.ar 1 UNL111111111 -0.1472 35 H 6.2952 2.3470 -1.0105 H 1 UNL111111111 0.3383 36 H 8.2330 0.9492 -0.6315 H 1 UNL111111111 0.1769 37 H 5.0937 -2.5863 1.0157 H 1 UNL111111111 0.1957 38 H 2.0505 2.1079 -2.2791 H 1 UNL111111111 0.1742 39 H 1.6260 0.2821 1.6198 H 1 UNL111111111 0.1794 40 H -0.3641 2.6037 -2.3065 H 1 UNL111111111 0.1584 41 H -0.7992 0.7832 1.6004 H 1 UNL111111111 0.1973 42 H 9.7580 -2.2277 0.5162 H 1 UNL111111111 0.3200 43 H -2.3295 2.8571 -1.0594 H 1 UNL111111111 0.3123 44 H -4.4857 2.8114 -0.5415 H 1 UNL111111111 0.3277 45 H 10.1968 -0.4903 -1.5833 H 1 UNL111111111 0.1493 46 H 11.4136 -0.8614 -0.3193 H 1 UNL111111111 0.1539 47 H 10.3531 0.5592 -0.1363 H 1 UNL111111111 0.1569 48 H -5.4971 -1.0868 2.4015 H 1 UNL111111111 0.1909 49 H -5.9484 -3.4328 1.4210 H 1 UNL111111111 0.1810 @BOND 1 1 34 1 2 2 7 2 3 2 8 2 4 2 14 1 5 2 30 1 6 3 30 ar 7 3 34 ar 8 4 23 1 9 5 17 2 10 6 19 2 11 9 29 2 12 10 17 ar 13 10 18 1 14 10 19 ar 15 11 16 ar 16 11 19 ar 17 11 35 1 18 12 22 1 19 12 31 1 20 12 42 1 21 13 26 1 22 13 29 am 23 13 43 1 24 14 29 am 25 14 44 1 26 15 16 ar 27 15 17 ar 28 15 21 ar 29 16 20 ar 30 18 24 ar 31 18 25 ar 32 20 22 ar 33 20 36 1 34 21 23 ar 35 21 37 1 36 22 23 ar 37 24 27 ar 38 24 38 1 39 25 28 ar 40 25 39 1 41 26 27 ar 42 26 28 ar 43 27 40 1 44 28 41 1 45 30 32 ar 46 31 45 1 47 31 46 1 48 31 47 1 49 32 33 ar 50 32 48 1 51 33 34 ar 52 33 49 1