@MOLECULE sunitinib 56 58 0 0 0 SMALL USER_CHARGES @ATOM 1 F -7.4316 -2.1380 -1.7527 F 1 UNL11111111 -0.1696 2 O 3.0266 1.8548 0.6933 O.2 1 UNL11111111 -0.5567 3 O -2.4447 1.5346 1.7214 O.2 1 UNL11111111 -0.4224 4 N 6.8173 -0.8129 0.0738 N.3 1 UNL11111111 -0.4256 5 N -0.7426 1.8005 -1.1571 N.ar 1 UNL11111111 -0.3129 6 N 3.0897 -0.3811 0.3861 N.am 1 UNL11111111 -0.6154 7 N -4.6225 0.8295 1.8355 N.am 1 UNL11111111 -0.5742 8 C 5.4153 -0.6679 -0.3897 C.3 1 UNL11111111 -0.1556 9 C 1.0923 0.8878 -0.2088 C.ar 1 UNL11111111 -0.3054 10 C 0.0495 -0.0842 -0.1581 C.ar 1 UNL11111111 0.0450 11 C -1.0748 0.5006 -0.7417 C.ar 1 UNL11111111 -0.0677 12 C 4.4811 -0.4695 0.8346 C.3 1 UNL11111111 -0.0640 13 C 0.5670 2.0508 -0.8005 C.ar 1 UNL11111111 0.2012 14 C 7.7797 -0.5542 -1.0341 C.3 1 UNL11111111 -0.0954 15 C 7.0370 -2.1711 0.6453 C.3 1 UNL11111111 -0.0988 16 C 2.4511 0.8475 0.3187 C.2 1 UNL11111111 0.6327 17 C -3.4092 0.1212 -0.0530 C.2 1 UNL11111111 -0.1292 18 C -2.4072 -0.0484 -0.9229 C.2 1 UNL11111111 -0.0278 19 C -4.7812 -0.3804 -0.1275 C.ar 1 UNL11111111 -0.0841 20 C 0.1053 -1.4213 0.4595 C.3 1 UNL11111111 -0.4396 21 C -5.4902 0.0779 1.0306 C.ar 1 UNL11111111 0.1931 22 C 1.2150 3.3546 -1.0028 C.3 1 UNL11111111 -0.4556 23 C -3.3400 0.9107 1.2278 C.2 1 UNL11111111 0.5756 24 C 7.6890 0.8935 -1.5317 C.3 1 UNL11111111 -0.4505 25 C 8.4199 -2.2909 1.2974 C.3 1 UNL11111111 -0.4505 26 C -5.4228 -1.1468 -1.0780 C.ar 1 UNL11111111 -0.1442 27 C -6.8333 -0.2056 1.2339 C.ar 1 UNL11111111 -0.2193 28 C -6.7801 -1.4164 -0.8509 C.ar 1 UNL11111111 0.1281 29 C -7.4881 -0.9658 0.2608 C.ar 1 UNL11111111 -0.1474 30 H 5.3291 0.2395 -1.0299 H 1 UNL11111111 0.1579 31 H 5.0719 -1.5267 -0.9979 H 1 UNL11111111 0.1095 32 H 4.5748 -1.3159 1.5516 H 1 UNL11111111 0.1315 33 H 4.7733 0.4569 1.3880 H 1 UNL11111111 0.1866 34 H -1.3892 2.4562 -1.5298 H 1 UNL11111111 0.3114 35 H 8.8009 -0.7225 -0.6266 H 1 UNL11111111 0.1401 36 H 7.6496 -1.2611 -1.8794 H 1 UNL11111111 0.1064 37 H 6.2660 -2.3289 1.4332 H 1 UNL11111111 0.1365 38 H 6.9017 -2.9778 -0.1075 H 1 UNL11111111 0.1072 39 H -2.5454 -0.6459 -1.8338 H 1 UNL11111111 0.1666 40 H 2.6809 -1.2037 -0.0153 H 1 UNL11111111 0.3054 41 H 0.4909 -2.1843 -0.2295 H 1 UNL11111111 0.1526 42 H -0.8924 -1.7577 0.7856 H 1 UNL11111111 0.1618 43 H 0.7506 -1.4166 1.3552 H 1 UNL11111111 0.1716 44 H 0.6167 4.0729 -1.5746 H 1 UNL11111111 0.1506 45 H 1.4473 3.8131 -0.0179 H 1 UNL11111111 0.2013 46 H 2.1928 3.2421 -1.5037 H 1 UNL11111111 0.1848 47 H 8.6030 1.1789 -2.0611 H 1 UNL11111111 0.1413 48 H 7.5618 1.5861 -0.6886 H 1 UNL11111111 0.1687 49 H 6.8496 1.0513 -2.2172 H 1 UNL11111111 0.1417 50 H 9.2114 -2.4839 0.5681 H 1 UNL11111111 0.1389 51 H 8.6761 -1.3634 1.8292 H 1 UNL11111111 0.1664 52 H 8.4371 -3.1047 2.0267 H 1 UNL11111111 0.1421 53 H -4.8772 1.2599 2.6992 H 1 UNL11111111 0.3333 54 H -4.9105 -1.5178 -1.9633 H 1 UNL11111111 0.1764 55 H -7.3652 0.1467 2.1128 H 1 UNL11111111 0.1715 56 H -8.5472 -1.1975 0.3742 H 1 UNL11111111 0.1739 @BOND 1 49 24 1 2 47 24 1 3 54 26 1 4 36 14 1 5 1 28 1 6 39 18 1 7 24 14 1 8 24 48 1 9 34 5 1 10 44 22 1 11 46 22 1 12 5 13 ar 13 5 11 ar 14 26 28 ar 15 26 19 ar 16 31 8 1 17 14 35 1 18 14 4 1 19 30 8 1 20 22 13 1 21 22 45 1 22 18 11 1 23 18 17 2 24 28 29 ar 25 13 9 ar 26 11 10 ar 27 8 4 1 28 8 12 1 29 41 20 1 30 9 10 ar 31 9 16 1 32 10 20 1 33 38 15 1 34 19 17 1 35 19 21 ar 36 40 6 1 37 17 23 1 38 4 15 1 39 29 56 1 40 29 27 ar 41 16 6 am 42 16 2 2 43 6 12 1 44 20 42 1 45 20 43 1 46 50 25 1 47 15 25 1 48 15 37 1 49 12 33 1 50 12 32 1 51 21 27 ar 52 21 7 1 53 27 55 1 54 23 3 2 55 23 7 am 56 25 51 1 57 25 52 1 58 7 53 1