@MOLECULE dovitinib 50 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 8.7123 1.7622 0.0538 C.3 1 UNL1 -0.2847 2 C 7.1494 0.1660 -0.9178 C.3 1 UNL1 -0.1295 3 C 5.9414 -0.7467 -0.5899 C.3 1 UNL1 -0.1029 4 C 5.1522 0.8959 1.0166 C.3 1 UNL1 -0.0963 5 C 6.3615 1.8023 0.6868 C.3 1 UNL1 -0.1294 6 C 3.5305 -0.5216 -0.1152 C.ar 1 UNL1 0.1858 7 C -1.0098 -0.7066 0.0313 C.ar 1 UNL1 0.3804 8 N -0.3644 -1.9406 -0.1073 N.ar 1 UNL1 -0.4012 9 C 2.1219 -2.5234 -0.2307 C.ar 1 UNL1 -0.1224 10 C 3.3725 -1.9287 -0.2152 C.ar 1 UNL1 -0.2474 11 C -2.4469 -0.5674 0.0942 C.ar 1 UNL1 -0.4547 12 C -3.0940 0.6859 0.1300 C.ar 1 UNL1 0.4292 13 C -5.3329 1.8661 -0.2813 C.ar 1 UNL1 0.3055 14 C -6.7158 1.8832 -0.2808 C.ar 1 UNL1 -0.3251 15 C -7.3990 0.6920 0.0078 C.ar 1 UNL1 0.0086 16 O -2.7870 -2.9281 0.1801 O.2 1 UNL1 -0.5581 17 N 7.5058 0.9425 0.2953 N.3 1 UNL1 -0.3998 18 N 4.8043 0.1114 -0.1938 N.pl3 1 UNL1 -0.4236 19 C 2.4197 0.3223 -0.0187 C.ar 1 UNL1 -0.2352 20 C 1.1565 -0.2637 -0.0153 C.ar 1 UNL1 0.1528 21 N -0.1102 0.3069 0.0843 N.ar 1 UNL1 -0.5402 22 C 1.0120 -1.6902 -0.1269 C.ar 1 UNL1 -0.0049 23 N -2.3829 1.8124 0.3327 N.pl3 1 UNL1 -0.5140 24 C -4.5515 0.7308 0.0155 C.ar 1 UNL1 -0.3121 25 F -4.7320 2.9966 -0.6162 F 1 UNL1 -0.1772 26 C -6.7006 -0.4748 0.2274 C.ar 1 UNL1 -0.3211 27 C -5.2819 -0.4745 0.1888 C.ar 1 UNL1 0.3288 28 N -4.6199 -1.6740 0.2979 N.ar 1 UNL1 -0.5270 29 C -3.2053 -1.7830 0.1721 C.ar 1 UNL1 0.6472 30 H 8.6062 2.5088 -0.7469 H 1 UNL1 0.1198 31 H 8.9817 2.2848 0.9866 H 1 UNL1 0.1455 32 H 9.5545 1.0962 -0.1965 H 1 UNL1 0.1456 33 H 8.0179 -0.4650 -1.2001 H 1 UNL1 0.1350 34 H 6.9035 0.8118 -1.7878 H 1 UNL1 0.1289 35 H 5.6625 -1.3197 -1.5007 H 1 UNL1 0.1438 36 H 6.2288 -1.4690 0.2054 H 1 UNL1 0.1327 37 H 5.4010 0.2361 1.8773 H 1 UNL1 0.1357 38 H 4.2873 1.5245 1.3158 H 1 UNL1 0.1438 39 H 6.0797 2.5314 -0.1026 H 1 UNL1 0.1281 40 H 6.6464 2.3779 1.5921 H 1 UNL1 0.1351 41 H -0.8173 -2.8368 -0.1087 H 1 UNL1 0.3530 42 H 2.0101 -3.6009 -0.3141 H 1 UNL1 0.1601 43 H 4.2512 -2.5660 -0.2715 H 1 UNL1 0.1598 44 H -7.2726 2.7901 -0.5065 H 1 UNL1 0.1830 45 H -8.4910 0.6970 0.0385 H 1 UNL1 0.1575 46 H 2.5234 1.4021 0.0286 H 1 UNL1 0.1770 47 H -2.7752 2.7212 0.4055 H 1 UNL1 0.3070 48 H -1.3535 1.7637 0.3532 H 1 UNL1 0.3708 49 H -7.2304 -1.4049 0.4202 H 1 UNL1 0.1731 50 H -5.1436 -2.5409 0.4108 H 1 UNL1 0.3330 @BOND 1 34 2 1 2 35 3 1 3 33 2 1 4 2 3 1 5 2 17 1 6 30 1 1 7 25 13 1 8 3 18 1 9 3 36 1 10 44 14 1 11 42 9 1 12 13 14 ar 13 13 24 ar 14 14 15 ar 15 43 10 1 16 9 10 ar 17 9 22 ar 18 10 6 ar 19 32 1 1 20 18 6 1 21 18 4 1 22 22 8 ar 23 22 20 ar 24 6 19 ar 25 41 8 1 26 8 7 ar 27 39 5 1 28 19 20 ar 29 19 46 1 30 20 21 ar 31 15 45 1 32 15 26 ar 33 24 12 ar 34 24 27 ar 35 7 21 ar 36 7 11 1 37 1 17 1 38 1 31 1 39 11 12 ar 40 11 29 ar 41 12 23 1 42 29 16 2 43 29 28 ar 44 27 26 ar 45 27 28 ar 46 26 49 1 47 17 5 1 48 28 50 1 49 23 48 1 50 23 47 1 51 5 4 1 52 5 40 1 53 4 38 1 54 4 37 1