@MOLECULE imatinib 68 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9640 -0.0228 -1.5690 O.2 1 UNL11 -0.4654 2 N 6.2711 0.4235 -0.5271 N.3 1 UNL11 -0.4215 3 N 8.4056 -0.4615 1.1810 N.3 1 UNL11 -0.3999 4 N -0.2633 -1.7662 -0.2590 N.am 1 UNL11 -0.5723 5 N -5.1734 -1.8335 -0.3675 N.pl3 1 UNL11 -0.4675 6 N -4.4701 0.3844 0.1323 N.ar 1 UNL11 -0.5273 7 N -6.7586 -0.1326 -0.4814 N.ar 1 UNL11 -0.5206 8 N -2.7763 4.8258 0.7025 N.ar 1 UNL11 -0.3850 9 C 6.0780 0.3036 0.9393 C.3 1 UNL11 -0.1267 10 C 7.6797 0.7872 -0.8176 C.3 1 UNL11 -0.1208 11 C 6.9954 -0.8219 1.4700 C.3 1 UNL11 -0.1237 12 C 8.5983 -0.3386 -0.2849 C.3 1 UNL11 -0.1240 13 C 5.3380 1.4266 -1.1016 C.3 1 UNL11 -0.1428 14 C 9.3248 -1.4748 1.7419 C.3 1 UNL11 -0.2843 15 C 3.9327 0.8844 -1.0709 C.ar 1 UNL11 0.0263 16 C 3.6930 -0.4468 -1.4230 C.ar 1 UNL11 -0.1499 17 C 2.8706 1.7177 -0.7159 C.ar 1 UNL11 -0.1927 18 C 2.3979 -0.9527 -1.3982 C.ar 1 UNL11 -0.1286 19 C 1.5715 1.2166 -0.7026 C.ar 1 UNL11 -0.0874 20 C 1.3429 -0.1199 -1.0275 C.ar 1 UNL11 -0.1477 21 C -0.0651 -0.6030 -1.0093 C.2 1 UNL11 0.5867 22 C -1.5101 -2.3900 -0.0357 C.ar 1 UNL11 0.2495 23 C -3.9254 -2.4321 -0.0571 C.ar 1 UNL11 0.2140 24 C -2.7264 -1.7849 -0.3642 C.ar 1 UNL11 -0.2413 25 C -3.9259 -3.7146 0.5310 C.ar 1 UNL11 -0.0865 26 C -1.4979 -3.6615 0.5652 C.ar 1 UNL11 -0.2839 27 C -2.6998 -4.3073 0.8283 C.ar 1 UNL11 -0.0970 28 C -5.1950 -4.4299 0.8455 C.3 1 UNL11 -0.4380 29 C -5.4496 -0.4922 -0.2283 C.ar 1 UNL11 0.5336 30 C -4.7875 1.6960 0.2149 C.ar 1 UNL11 0.3179 31 C -3.6748 2.5909 0.5570 C.ar 1 UNL11 -0.1531 32 C -6.0985 2.1369 -0.0248 C.ar 1 UNL11 -0.4248 33 C -7.0530 1.1690 -0.3724 C.ar 1 UNL11 0.1774 34 C -2.4535 2.0693 1.0056 C.ar 1 UNL11 -0.0029 35 C -3.7859 3.9859 0.4166 C.ar 1 UNL11 0.0790 36 C -1.4066 2.9364 1.3039 C.ar 1 UNL11 -0.2622 37 C -1.6094 4.3115 1.1369 C.ar 1 UNL11 0.0736 38 H 6.2966 1.2495 1.4799 H 1 UNL11 0.1301 39 H 5.0167 0.0408 1.1358 H 1 UNL11 0.1414 40 H 7.8052 0.8724 -1.9176 H 1 UNL11 0.1365 41 H 7.9773 1.7563 -0.3628 H 1 UNL11 0.1295 42 H 6.8725 -0.9087 2.5701 H 1 UNL11 0.1374 43 H 6.6959 -1.7918 1.0188 H 1 UNL11 0.1262 44 H 8.3835 -1.2829 -0.8293 H 1 UNL11 0.1273 45 H 9.6580 -0.0703 -0.4786 H 1 UNL11 0.1363 46 H 5.4024 2.4133 -0.5916 H 1 UNL11 0.1284 47 H 5.6257 1.6037 -2.1671 H 1 UNL11 0.1583 48 H 10.3641 -1.1541 1.5601 H 1 UNL11 0.1471 49 H 9.1944 -2.4875 1.3334 H 1 UNL11 0.1201 50 H 9.1870 -1.5169 2.8351 H 1 UNL11 0.1474 51 H 4.5340 -1.0840 -1.7062 H 1 UNL11 0.1775 52 H 3.0511 2.7583 -0.4548 H 1 UNL11 0.1564 53 H 2.2147 -1.9875 -1.6842 H 1 UNL11 0.1551 54 H 0.7312 1.8672 -0.4498 H 1 UNL11 0.1680 55 H 0.5438 -2.2079 0.1689 H 1 UNL11 0.3117 56 H -2.7490 -0.8012 -0.8524 H 1 UNL11 0.2323 57 H -0.5603 -4.1430 0.8219 H 1 UNL11 0.1524 58 H -2.6809 -5.2969 1.2853 H 1 UNL11 0.1485 59 H -5.9642 -2.4490 -0.5558 H 1 UNL11 0.3351 60 H -5.8704 -3.8127 1.4583 H 1 UNL11 0.1605 61 H -5.0226 -5.3542 1.4148 H 1 UNL11 0.1554 62 H -5.7344 -4.7230 -0.0672 H 1 UNL11 0.1542 63 H -6.3763 3.1780 0.0577 H 1 UNL11 0.1809 64 H -8.0990 1.4383 -0.5735 H 1 UNL11 0.1724 65 H -2.3285 0.9838 1.1081 H 1 UNL11 0.1918 66 H -4.7060 4.4624 0.0563 H 1 UNL11 0.1729 67 H -0.4548 2.5557 1.6604 H 1 UNL11 0.1648 68 H -0.8224 5.0428 1.3522 H 1 UNL11 0.1641 @BOND 1 1 21 2 2 2 9 1 3 2 10 1 4 2 13 1 5 3 11 1 6 3 12 1 7 3 14 1 8 4 21 am 9 4 22 1 10 4 55 1 11 5 23 1 12 5 29 1 13 5 59 1 14 6 29 ar 15 6 30 ar 16 7 29 ar 17 7 33 ar 18 8 35 ar 19 8 37 ar 20 9 11 1 21 9 38 1 22 9 39 1 23 10 12 1 24 10 40 1 25 10 41 1 26 11 42 1 27 11 43 1 28 12 44 1 29 12 45 1 30 13 15 1 31 13 46 1 32 13 47 1 33 14 48 1 34 14 49 1 35 14 50 1 36 15 16 ar 37 15 17 ar 38 16 18 ar 39 16 51 1 40 17 19 ar 41 17 52 1 42 18 20 ar 43 18 53 1 44 19 20 ar 45 19 54 1 46 20 21 1 47 22 24 ar 48 22 26 ar 49 23 24 ar 50 23 25 ar 51 24 56 1 52 25 27 ar 53 25 28 1 54 26 27 ar 55 26 57 1 56 27 58 1 57 28 60 1 58 28 61 1 59 28 62 1 60 30 31 1 61 30 32 ar 62 31 34 ar 63 31 35 ar 64 32 33 ar 65 32 63 1 66 33 64 1 67 34 36 ar 68 34 65 1 69 35 66 1 70 36 37 ar 71 36 67 1 72 37 68 1