@MOLECULE nintedanib 73 77 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1509 1.2175 -1.1899 O.2 1 UNL11 -0.5338 2 O -3.1225 -3.5378 0.7593 O.2 1 UNL11 -0.5806 3 O -9.3559 0.4174 0.6062 O.3 1 UNL11 -0.4073 4 O -8.7114 2.4004 -0.2222 O.2 1 UNL11 -0.5107 5 N 7.1818 0.3040 -0.3525 N.3 1 UNL11 -0.4183 6 N 9.1949 1.0817 1.5414 N.3 1 UNL11 -0.4005 7 N 4.4216 -1.0133 -0.9800 N.am 1 UNL11 -0.4632 8 N -1.0244 -1.8205 0.1583 N.pl3 1 UNL11 -0.4425 9 N -5.1662 -2.4713 0.7438 N.am 1 UNL11 -0.5436 10 C 6.9756 1.4662 0.5496 C.3 1 UNL11 -0.1250 11 C 8.6247 0.1761 -0.6771 C.3 1 UNL11 -0.1219 12 C 7.7520 1.2153 1.8618 C.3 1 UNL11 -0.1246 13 C 9.3991 -0.0775 0.6389 C.3 1 UNL11 -0.1238 14 C 6.3763 0.4449 -1.5862 C.3 1 UNL11 -0.2045 15 C 9.9922 0.9281 2.7765 C.3 1 UNL11 -0.2843 16 C 4.9027 0.2640 -1.2173 C.2 1 UNL11 0.5843 17 C 3.0531 -1.2185 -0.6544 C.ar 1 UNL11 0.1943 18 C 5.3122 -2.1742 -0.8764 C.3 1 UNL11 -0.2321 19 C -3.3000 -1.1672 0.2396 C.2 1 UNL11 -0.4172 20 C -4.4831 -0.3374 0.1462 C.ar 1 UNL11 0.0562 21 C -1.9746 -0.8512 0.0463 C.2 1 UNL11 0.3563 22 C -5.6154 -1.1641 0.4708 C.ar 1 UNL11 0.1352 23 C 2.3636 -2.2913 -1.2404 C.ar 1 UNL11 -0.1921 24 C 2.3967 -0.3596 0.2396 C.ar 1 UNL11 -0.1564 25 C 0.3594 -1.6049 -0.0908 C.ar 1 UNL11 0.1289 26 C -3.7657 -2.5190 0.5993 C.2 1 UNL11 0.6298 27 C 1.0178 -2.4844 -0.9600 C.ar 1 UNL11 -0.1687 28 C 1.0545 -0.5602 0.5292 C.ar 1 UNL11 -0.1605 29 C -1.5531 0.5268 -0.2849 C.ar 1 UNL11 -0.0810 30 C -4.6906 0.9871 -0.1885 C.ar 1 UNL11 -0.1787 31 C -6.9065 -0.6735 0.4818 C.ar 1 UNL11 -0.1655 32 C -7.0775 0.6786 0.1499 C.ar 1 UNL11 -0.1264 33 C -5.9957 1.4921 -0.1840 C.ar 1 UNL11 -0.1022 34 C -1.5734 1.5075 0.7101 C.ar 1 UNL11 -0.1262 35 C -1.1395 0.8358 -1.5807 C.ar 1 UNL11 -0.1120 36 C -8.4179 1.2866 0.1370 C.2 1 UNL11 0.5999 37 C -1.1545 2.7997 0.4070 C.ar 1 UNL11 -0.1518 38 C -0.7227 2.1321 -1.8765 C.ar 1 UNL11 -0.1437 39 C -0.7239 3.1096 -0.8833 C.ar 1 UNL11 -0.1211 40 C -10.6921 0.9065 0.6354 C.3 1 UNL11 -0.1683 41 H 7.3069 2.4248 0.0945 H 1 UNL11 0.1369 42 H 5.8896 1.5622 0.7693 H 1 UNL11 0.1526 43 H 8.7661 -0.6864 -1.3603 H 1 UNL11 0.1324 44 H 9.0337 1.0795 -1.1795 H 1 UNL11 0.1347 45 H 7.6210 2.0869 2.5379 H 1 UNL11 0.1409 46 H 7.3385 0.3231 2.3785 H 1 UNL11 0.1268 47 H 9.0710 -1.0387 1.0879 H 1 UNL11 0.1250 48 H 10.4830 -0.1638 0.4156 H 1 UNL11 0.1363 49 H 6.6869 -0.3193 -2.3304 H 1 UNL11 0.1593 50 H 6.4880 1.4386 -2.0805 H 1 UNL11 0.1590 51 H 9.8526 1.8236 3.4057 H 1 UNL11 0.1494 52 H 11.0615 0.8861 2.5100 H 1 UNL11 0.1469 53 H 9.7451 0.0388 3.3749 H 1 UNL11 0.1205 54 H 5.5834 -2.5483 -1.8778 H 1 UNL11 0.1392 55 H 4.8327 -2.9934 -0.3137 H 1 UNL11 0.1532 56 H 6.2399 -1.9092 -0.3282 H 1 UNL11 0.1789 57 H 2.8766 -2.9581 -1.9306 H 1 UNL11 0.1642 58 H 2.9356 0.4742 0.6949 H 1 UNL11 0.1846 59 H -1.3299 -2.7878 0.3565 H 1 UNL11 0.3626 60 H -5.7515 -3.2393 0.9847 H 1 UNL11 0.3281 61 H 0.4744 -3.3070 -1.4256 H 1 UNL11 0.1707 62 H 0.5473 0.0994 1.2343 H 1 UNL11 0.1751 63 H -3.8597 1.6352 -0.4593 H 1 UNL11 0.1682 64 H -7.7581 -1.3012 0.7341 H 1 UNL11 0.1769 65 H -6.1704 2.5381 -0.4481 H 1 UNL11 0.1705 66 H -1.9196 1.2603 1.7141 H 1 UNL11 0.1647 67 H -1.1356 0.0682 -2.3544 H 1 UNL11 0.1626 68 H -1.1621 3.5689 1.1770 H 1 UNL11 0.1532 69 H -0.3857 2.3771 -2.8828 H 1 UNL11 0.1566 70 H -0.3842 4.1181 -1.1148 H 1 UNL11 0.1519 71 H -11.2428 0.0870 1.1100 H 1 UNL11 0.1429 72 H -11.0447 1.0905 -0.3847 H 1 UNL11 0.1382 73 H -10.7525 1.8248 1.2295 H 1 UNL11 0.1404 @BOND 1 1 16 2 2 2 26 2 3 3 36 1 4 3 40 1 5 4 36 2 6 5 10 1 7 5 11 1 8 5 14 1 9 6 12 1 10 6 13 1 11 6 15 1 12 7 16 am 13 7 17 1 14 7 18 1 15 8 21 1 16 8 25 1 17 8 59 1 18 9 22 1 19 9 26 am 20 9 60 1 21 10 12 1 22 10 41 1 23 10 42 1 24 11 13 1 25 11 43 1 26 11 44 1 27 12 45 1 28 12 46 1 29 13 47 1 30 13 48 1 31 14 16 1 32 14 49 1 33 14 50 1 34 15 51 1 35 15 52 1 36 15 53 1 37 17 23 ar 38 17 24 ar 39 18 54 1 40 18 55 1 41 18 56 1 42 19 20 1 43 19 21 2 44 19 26 1 45 20 22 ar 46 20 30 ar 47 21 29 1 48 22 31 ar 49 23 27 ar 50 23 57 1 51 24 28 ar 52 24 58 1 53 25 27 ar 54 25 28 ar 55 27 61 1 56 28 62 1 57 29 34 ar 58 29 35 ar 59 30 33 ar 60 30 63 1 61 31 32 ar 62 31 64 1 63 32 33 ar 64 32 36 1 65 33 65 1 66 34 37 ar 67 34 66 1 68 35 38 ar 69 35 67 1 70 37 39 ar 71 37 68 1 72 38 39 ar 73 38 69 1 74 39 70 1 75 40 71 1 76 40 72 1 77 40 73 1