@MOLECULE 2-isopropyl-9h-thioxanthen-9-one 32 34 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.3518 1.9408 -0.1200 S.2 1 UNL1111 0.1250 2 O -0.2774 -2.3094 -0.3232 O.2 1 UNL1111 -0.4478 3 C 4.3049 -0.2039 0.1122 C.3 1 UNL1111 -0.0748 4 C 2.8864 0.2975 0.0518 C.ar 1 UNL1111 -0.0276 5 C 0.4992 -0.1234 -0.0764 C.ar 1 UNL1111 -0.1650 6 C 1.8170 -0.5919 -0.0236 C.ar 1 UNL1111 -0.0812 7 C 0.2600 1.2486 -0.0544 C.ar 1 UNL1111 -0.0591 8 C 2.6302 1.6723 0.0693 C.ar 1 UNL1111 -0.1288 9 C 4.6378 -0.9941 -1.1598 C.3 1 UNL1111 -0.4463 10 C 4.5051 -1.0725 1.3607 C.3 1 UNL1111 -0.4462 11 C -0.5702 -1.1425 -0.1609 C.ar 1 UNL1111 0.4628 12 C -1.9924 -0.7550 -0.0337 C.ar 1 UNL1111 -0.1748 13 C 1.3253 2.1494 0.0163 C.ar 1 UNL1111 -0.1652 14 C -2.4357 0.5652 -0.0057 C.ar 1 UNL1111 -0.0391 15 C -2.9293 -1.7948 0.0536 C.ar 1 UNL1111 -0.0548 16 C -3.7992 0.8543 0.1080 C.ar 1 UNL1111 -0.1822 17 C -4.2845 -1.5133 0.1682 C.ar 1 UNL1111 -0.1885 18 C -4.7180 -0.1858 0.1946 C.ar 1 UNL1111 -0.0911 19 H 5.0079 0.6659 0.1765 H 1 UNL1111 0.1368 20 H 1.9990 -1.6721 -0.0453 H 1 UNL1111 0.1824 21 H 3.4577 2.3791 0.1266 H 1 UNL1111 0.1536 22 H 4.0195 -1.8948 -1.2519 H 1 UNL1111 0.1536 23 H 5.6855 -1.3132 -1.1642 H 1 UNL1111 0.1454 24 H 4.4691 -0.3892 -2.0582 H 1 UNL1111 0.1477 25 H 4.2335 -0.5266 2.2714 H 1 UNL1111 0.1475 26 H 5.5495 -1.3868 1.4596 H 1 UNL1111 0.1454 27 H 3.8911 -1.9801 1.3279 H 1 UNL1111 0.1528 28 H 1.1533 3.2269 0.0332 H 1 UNL1111 0.1654 29 H -2.5778 -2.8323 0.0270 H 1 UNL1111 0.1790 30 H -4.1571 1.8845 0.1322 H 1 UNL1111 0.1654 31 H -5.0078 -2.3236 0.2358 H 1 UNL1111 0.1587 32 H -5.7813 0.0356 0.2841 H 1 UNL1111 0.1509 @BOND 1 1 7 ar 2 1 14 ar 3 2 11 2 4 3 4 1 5 3 9 1 6 3 10 1 7 3 19 1 8 4 6 ar 9 4 8 ar 10 5 6 ar 11 5 7 ar 12 5 11 ar 13 6 20 1 14 7 13 ar 15 8 13 ar 16 8 21 1 17 9 22 1 18 9 23 1 19 9 24 1 20 10 25 1 21 10 26 1 22 10 27 1 23 11 12 ar 24 12 14 ar 25 12 15 ar 26 13 28 1 27 14 16 ar 28 15 17 ar 29 15 29 1 30 16 18 ar 31 16 30 1 32 17 18 ar 33 17 31 1 34 18 32 1