@MOLECULE [4-amino-2-(isopropylamino)-1,3-thiazol-5-yl](3-pyridinyl)methanone 32 33 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.9481 0.3962 -1.4374 C.3 1 UNL1111 -0.4842 2 C 4.4681 0.5413 0.0114 C.3 1 UNL1111 0.1326 3 C 5.3605 1.5060 0.7995 C.3 1 UNL1111 -0.4801 4 N 3.0854 1.0759 0.0275 N.pl3 1 UNL1111 -0.4892 5 C 2.0224 0.2500 0.0366 C.ar 1 UNL1111 0.3570 6 N 2.1067 -1.0825 0.1472 N.ar 1 UNL1111 -0.6115 7 C 0.8304 -1.6567 0.1862 C.ar 1 UNL1111 0.5144 8 C -0.2626 -0.7674 0.1011 C.ar 1 UNL1111 -0.6042 9 S 0.3146 0.8702 -0.0435 S.2 1 UNL1111 0.1341 10 N 0.7308 -2.9972 0.3010 N.pl3 1 UNL1111 -0.5373 11 C -1.6240 -1.1851 0.1111 C.2 1 UNL1111 0.5498 12 C -2.6892 -0.1500 0.0497 C.ar 1 UNL1111 -0.2112 13 C -2.9133 0.7267 1.1084 C.ar 1 UNL1111 -0.0509 14 C -3.9450 1.6578 1.0031 C.ar 1 UNL1111 -0.2492 15 C -4.7175 1.6723 -0.1653 C.ar 1 UNL1111 0.0598 16 N -4.5090 0.8201 -1.1874 N.ar 1 UNL1111 -0.3763 17 C -3.5177 -0.0822 -1.0805 C.ar 1 UNL1111 0.0920 18 O -1.9389 -2.3652 0.1552 O.2 1 UNL1111 -0.5378 19 H 5.9615 -0.0195 -1.4736 H 1 UNL1111 0.1582 20 H 4.2973 -0.2892 -1.9990 H 1 UNL1111 0.1678 21 H 4.9619 1.3520 -1.9701 H 1 UNL1111 0.1507 22 H 4.4628 -0.4698 0.5103 H 1 UNL1111 0.1742 23 H 5.4178 2.4964 0.3359 H 1 UNL1111 0.1505 24 H 4.9986 1.6363 1.8278 H 1 UNL1111 0.1615 25 H 6.3847 1.1178 0.8635 H 1 UNL1111 0.1606 26 H 2.9769 2.0630 -0.1580 H 1 UNL1111 0.3225 27 H 1.5409 -3.5781 0.3552 H 1 UNL1111 0.3167 28 H -0.1964 -3.4132 0.3074 H 1 UNL1111 0.3527 29 H -2.2976 0.6811 2.0080 H 1 UNL1111 0.1652 30 H -4.1488 2.3560 1.8082 H 1 UNL1111 0.1635 31 H -5.5401 2.3831 -0.3029 H 1 UNL1111 0.1671 32 H -3.3911 -0.7675 -1.9285 H 1 UNL1111 0.1811 @BOND 1 1 2 1 2 1 19 1 3 1 20 1 4 1 21 1 5 2 3 1 6 2 4 1 7 2 22 1 8 3 23 1 9 3 24 1 10 3 25 1 11 4 5 1 12 4 26 1 13 5 6 ar 14 5 9 ar 15 6 7 ar 16 7 8 ar 17 7 10 1 18 8 9 ar 19 8 11 1 20 10 27 1 21 10 28 1 22 11 12 1 23 11 18 2 24 12 13 ar 25 12 17 ar 26 13 14 ar 27 13 29 1 28 14 15 ar 29 14 30 1 30 15 16 ar 31 15 31 1 32 16 17 ar 33 17 32 1