@MOLECULE tepoxalin 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.0763 3.8708 -0.2673 Cl 1 UNL1111111111 -0.0906 2 O -4.0719 -4.1373 -0.7914 O.3 1 UNL1111111111 -0.3088 3 O 6.2122 0.1016 1.3712 O.2 1 UNL1111111111 -0.4846 4 O 6.0663 0.1862 -2.0329 O.3 1 UNL1111111111 -0.3472 5 N 0.0101 -0.6040 0.4060 N.ar 1 UNL1111111111 -0.0829 6 N 1.2739 -1.0246 0.6664 N.ar 1 UNL1111111111 -0.2631 7 N 6.6377 0.5922 -0.8048 N.am 1 UNL1111111111 -0.2879 8 C -0.0858 0.7844 0.4784 C.ar 1 UNL1111111111 0.0363 9 C 2.0131 0.0918 0.9047 C.ar 1 UNL1111111111 0.0769 10 C 3.4577 0.0225 1.2218 C.3 1 UNL1111111111 -0.2414 11 C 1.1944 1.2544 0.7912 C.ar 1 UNL1111111111 -0.2927 12 C 4.2809 0.2315 -0.0549 C.3 1 UNL1111111111 -0.3451 13 C -1.3166 1.5319 0.2967 C.ar 1 UNL1111111111 -0.0317 14 C -1.0109 -1.5470 0.1133 C.ar 1 UNL1111111111 0.0658 15 C -1.0790 -2.7405 0.8396 C.ar 1 UNL1111111111 -0.0749 16 C -1.9351 -1.2665 -0.9072 C.ar 1 UNL1111111111 -0.1103 17 C -1.3516 2.5792 -0.6302 C.ar 1 UNL1111111111 -0.1147 18 C -2.4489 1.2232 1.0590 C.ar 1 UNL1111111111 -0.1146 19 C 5.7469 0.2421 0.2651 C.2 1 UNL1111111111 0.5579 20 C -2.0953 -3.6529 0.5718 C.ar 1 UNL1111111111 -0.2852 21 C -2.9524 -2.1653 -1.1721 C.ar 1 UNL1111111111 -0.2296 22 C -3.0252 -3.3550 -0.4248 C.ar 1 UNL1111111111 0.2539 23 C -2.5218 3.3133 -0.8087 C.ar 1 UNL1111111111 -0.1713 24 C -3.6245 1.9490 0.8877 C.ar 1 UNL1111111111 -0.1665 25 C -3.6329 2.9775 -0.0462 C.ar 1 UNL1111111111 0.0387 26 C 7.9892 0.0207 -0.7350 C.3 1 UNL1111111111 -0.2700 27 C -4.2315 -5.3746 -0.1107 C.3 1 UNL1111111111 -0.2042 28 H 3.7292 0.7835 1.9868 H 1 UNL1111111111 0.1709 29 H 3.7206 -0.9559 1.6868 H 1 UNL1111111111 0.1762 30 H 1.4973 2.2655 0.9360 H 1 UNL1111111111 0.1783 31 H 4.0566 -0.5720 -0.7938 H 1 UNL1111111111 0.1901 32 H 3.9875 1.1764 -0.5594 H 1 UNL1111111111 0.1783 33 H -0.3305 -2.9538 1.6078 H 1 UNL1111111111 0.1813 34 H -1.8490 -0.3458 -1.4876 H 1 UNL1111111111 0.1731 35 H -0.4609 2.8166 -1.2131 H 1 UNL1111111111 0.1668 36 H -2.4086 0.4127 1.7890 H 1 UNL1111111111 0.1688 37 H -2.1468 -4.5784 1.1364 H 1 UNL1111111111 0.1681 38 H -3.6901 -1.9712 -1.9487 H 1 UNL1111111111 0.1798 39 H -2.5556 4.1288 -1.5306 H 1 UNL1111111111 0.1729 40 H -4.5106 1.7100 1.4757 H 1 UNL1111111111 0.1757 41 H 8.6336 0.5288 -1.4720 H 1 UNL1111111111 0.1533 42 H 8.0202 -1.0629 -0.9341 H 1 UNL1111111111 0.1470 43 H 8.4010 0.2034 0.2770 H 1 UNL1111111111 0.1775 44 H 6.0170 1.0419 -2.5497 H 1 UNL1111111111 0.3023 45 H -5.1233 -5.7923 -0.5987 H 1 UNL1111111111 0.1545 46 H -4.4201 -5.2133 0.9549 H 1 UNL1111111111 0.1355 47 H -3.3675 -6.0265 -0.2738 H 1 UNL1111111111 0.1372 @BOND 1 1 25 1 2 2 22 1 3 2 27 1 4 3 19 2 5 4 7 1 6 4 44 1 7 5 6 ar 8 5 8 ar 9 5 14 1 10 6 9 ar 11 7 19 am 12 7 26 1 13 8 11 ar 14 8 13 1 15 9 10 1 16 9 11 ar 17 10 12 1 18 10 28 1 19 10 29 1 20 11 30 1 21 12 19 1 22 12 31 1 23 12 32 1 24 13 17 ar 25 13 18 ar 26 14 15 ar 27 14 16 ar 28 15 20 ar 29 15 33 1 30 16 21 ar 31 16 34 1 32 17 23 ar 33 17 35 1 34 18 24 ar 35 18 36 1 36 20 22 ar 37 20 37 1 38 21 22 ar 39 21 38 1 40 23 25 ar 41 23 39 1 42 24 25 ar 43 24 40 1 44 26 41 1 45 26 42 1 46 26 43 1 47 27 45 1 48 27 46 1 49 27 47 1