@MOLECULE topiroxostat 27 29 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.5849 1.0637 -0.5765 C.ar 1 UNL1111111111 -0.1960 2 C 4.9618 1.3229 -0.5543 C.ar 1 UNL1111111111 0.0597 3 N 5.8513 0.4695 -0.0161 N.ar 1 UNL1111111111 -0.3507 4 C 5.4019 -0.6759 0.5286 C.ar 1 UNL1111111111 0.0651 5 C 4.0443 -1.0208 0.5524 C.ar 1 UNL1111111111 -0.2442 6 C 3.1290 -0.1319 -0.0174 C.ar 1 UNL1111111111 0.0316 7 C 1.7058 -0.4263 -0.0319 C.ar 1 UNL1111111111 0.1895 8 N 0.6901 0.4557 0.0590 N.ar 1 UNL1111111111 -0.3965 9 N 1.1561 -1.7090 -0.1542 N.ar 1 UNL1111111111 -0.2172 10 N -0.1923 -1.6299 -0.1425 N.ar 1 UNL1111111111 -0.2343 11 C -0.4787 -0.3023 -0.0065 C.ar 1 UNL1111111111 0.1710 12 C -1.8149 0.2648 0.0623 C.ar 1 UNL1111111111 0.0517 13 C -2.9429 -0.5549 -0.0693 C.ar 1 UNL1111111111 -0.1798 14 C -1.9845 1.6367 0.2592 C.ar 1 UNL1111111111 -0.1768 15 C -3.2885 2.1506 0.3191 C.ar 1 UNL1111111111 0.0453 16 N -4.3783 1.3790 0.1920 N.ar 1 UNL1111111111 -0.3230 17 C -4.2039 0.0510 0.0008 C.ar 1 UNL1111111111 0.1545 18 C -5.3927 -0.7346 -0.1344 C.1 1 UNL1111111111 0.1140 19 N -6.3471 -1.3775 -0.2473 N.1 1 UNL1111111111 -0.2032 20 H 2.8839 1.7787 -1.0095 H 1 UNL1111111111 0.1913 21 H 5.3803 2.2438 -0.9800 H 1 UNL1111111111 0.1791 22 H 6.1686 -1.3319 0.9599 H 1 UNL1111111111 0.1779 23 H 3.7240 -1.9452 1.0223 H 1 UNL1111111111 0.1679 24 H 1.5950 -2.6027 -0.2732 H 1 UNL1111111111 0.3440 25 H -2.8400 -1.6314 -0.2212 H 1 UNL1111111111 0.1971 26 H -1.1165 2.2928 0.3642 H 1 UNL1111111111 0.1974 27 H -3.4781 3.2213 0.4742 H 1 UNL1111111111 0.1847 @BOND 1 1 2 ar 2 1 6 ar 3 1 20 1 4 2 3 ar 5 2 21 1 6 3 4 ar 7 4 5 ar 8 4 22 1 9 5 6 ar 10 5 23 1 11 6 7 1 12 7 8 ar 13 7 9 ar 14 8 11 ar 15 9 10 ar 16 9 24 1 17 10 11 ar 18 11 12 1 19 12 13 ar 20 12 14 ar 21 13 17 ar 22 13 25 1 23 14 15 ar 24 14 26 1 25 15 16 ar 26 15 27 1 27 16 17 ar 28 17 18 1 29 18 19 3