@MOLECULE 2-(4-ethylamino-6-methylthio-1,3,5-triazin-2-ylamino)-2-methylpropiononitrile 33 33 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.9199 0.0065 -0.1044 S.3 1 UNL1111111111 0.1841 2 N 0.7182 -1.9469 -0.0305 N.pl3 1 UNL1111111111 -0.5316 3 N 0.5581 0.3998 0.1756 N.ar 1 UNL1111111111 -0.6663 4 N 0.2391 2.7292 0.2692 N.pl3 1 UNL1111111111 -0.4682 5 N -1.4142 -0.9974 -0.0228 N.ar 1 UNL1111111111 -0.6448 6 N -1.6642 1.3856 0.0803 N.ar 1 UNL1111111111 -0.6052 7 N 3.3191 -0.2283 -1.4547 N.1 1 UNL1111111111 -0.2419 8 C 2.1770 -1.9298 0.1896 C.3 1 UNL1111111111 0.3378 9 C 2.7113 -3.3395 -0.1296 C.3 1 UNL1111111111 -0.4783 10 C 2.5307 -1.5243 1.6305 C.3 1 UNL1111111111 -0.4835 11 C -0.0507 -0.8157 0.0550 C.ar 1 UNL1111111111 0.5823 12 C 2.8045 -0.9739 -0.7388 C.1 1 UNL1111111111 0.0945 13 C -0.2862 1.4853 0.1676 C.ar 1 UNL1111111111 0.5660 14 C 1.6964 2.9389 0.2237 C.3 1 UNL1111111111 -0.0391 15 C -2.1556 0.1359 -0.0020 C.ar 1 UNL1111111111 0.3504 16 C 1.9924 4.3896 -0.1492 C.3 1 UNL1111111111 -0.4630 17 C -4.1865 -1.7853 -0.2231 C.3 1 UNL1111111111 -0.5000 18 H 0.2457 -2.8451 -0.0346 H 1 UNL1111111111 0.3393 19 H 2.4456 -3.6538 -1.1488 H 1 UNL1111111111 0.1704 20 H 3.8063 -3.3676 -0.0580 H 1 UNL1111111111 0.1694 21 H 2.3208 -4.0883 0.5693 H 1 UNL1111111111 0.1636 22 H 2.1870 -0.4991 1.8491 H 1 UNL1111111111 0.1887 23 H 3.6127 -1.5456 1.7996 H 1 UNL1111111111 0.1631 24 H 2.0575 -2.1866 2.3628 H 1 UNL1111111111 0.1637 25 H 2.1308 2.6772 1.2158 H 1 UNL1111111111 0.1464 26 H 2.1572 2.2349 -0.5165 H 1 UNL1111111111 0.1760 27 H -0.3770 3.5319 0.2471 H 1 UNL1111111111 0.3352 28 H 1.5766 4.6491 -1.1316 H 1 UNL1111111111 0.1585 29 H 1.5915 5.0959 0.5864 H 1 UNL1111111111 0.1494 30 H 3.0763 4.5562 -0.2067 H 1 UNL1111111111 0.1598 31 H -5.2550 -1.9668 -0.3799 H 1 UNL1111111111 0.1673 32 H -3.8665 -2.3076 0.6869 H 1 UNL1111111111 0.1746 33 H -3.6269 -2.2302 -1.0576 H 1 UNL1111111111 0.1814 @BOND 1 1 15 1 2 1 17 1 3 2 8 1 4 2 11 1 5 2 18 1 6 3 11 ar 7 3 13 ar 8 4 13 1 9 4 14 1 10 4 27 1 11 5 11 ar 12 5 15 ar 13 6 13 ar 14 6 15 ar 15 7 12 3 16 8 9 1 17 8 10 1 18 8 12 1 19 9 19 1 20 9 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 10 24 1 25 14 16 1 26 14 25 1 27 14 26 1 28 16 28 1 29 16 29 1 30 16 30 1 31 17 31 1 32 17 32 1 33 17 33 1