@MOLECULE p-methylthioamphetamine 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.4435 -0.4168 -0.3378 S.3 1 UNL1111111111 0.0475 2 N 4.7200 -0.2672 -0.2792 N.3 1 UNL1111111111 -0.6643 3 C 2.4831 -0.2276 0.8776 C.3 1 UNL1111111111 -0.3584 4 C 3.2747 -0.0213 -0.4481 C.3 1 UNL1111111111 0.1039 5 C 1.0145 -0.2428 0.6020 C.ar 1 UNL1111111111 0.0147 6 C 3.0716 1.4024 -0.9798 C.3 1 UNL1111111111 -0.4630 7 C 0.2295 0.8807 0.8612 C.ar 1 UNL1111111111 -0.1634 8 C 0.4188 -1.3892 0.0664 C.ar 1 UNL1111111111 -0.1658 9 C -1.1367 0.8646 0.5847 C.ar 1 UNL1111111111 -0.1632 10 C -0.9427 -1.4084 -0.2149 C.ar 1 UNL1111111111 -0.1424 11 C -1.7218 -0.2772 0.0440 C.ar 1 UNL1111111111 -0.0849 12 C -4.1216 1.2597 -0.1434 C.3 1 UNL1111111111 -0.4998 13 H 2.7503 0.5650 1.6015 H 1 UNL1111111111 0.1526 14 H 2.7941 -1.1776 1.3551 H 1 UNL1111111111 0.1510 15 H 2.9058 -0.7597 -1.2089 H 1 UNL1111111111 0.1433 16 H 3.6591 1.5579 -1.8948 H 1 UNL1111111111 0.1623 17 H 3.3826 2.1623 -0.2571 H 1 UNL1111111111 0.1434 18 H 2.0181 1.5822 -1.2238 H 1 UNL1111111111 0.1539 19 H 0.6826 1.7770 1.2812 H 1 UNL1111111111 0.1552 20 H 1.0245 -2.2712 -0.1353 H 1 UNL1111111111 0.1557 21 H 4.9164 -1.1799 0.0932 H 1 UNL1111111111 0.2497 22 H 5.1679 0.4283 0.2912 H 1 UNL1111111111 0.2499 23 H -1.7239 1.7553 0.8026 H 1 UNL1111111111 0.1536 24 H -1.3839 -2.3129 -0.6375 H 1 UNL1111111111 0.1629 25 H -4.1190 1.5891 0.9008 H 1 UNL1111111111 0.1647 26 H -5.1647 1.2364 -0.4871 H 1 UNL1111111111 0.1751 27 H -3.5871 1.9988 -0.7494 H 1 UNL1111111111 0.1656 @BOND 1 1 11 1 2 1 12 1 3 2 4 1 4 2 21 1 5 2 22 1 6 3 4 1 7 3 5 1 8 3 13 1 9 3 14 1 10 4 6 1 11 4 15 1 12 5 7 ar 13 5 8 ar 14 6 16 1 15 6 17 1 16 6 18 1 17 7 9 ar 18 7 19 1 19 8 10 ar 20 8 20 1 21 9 11 ar 22 9 23 1 23 10 11 ar 24 10 24 1 25 12 25 1 26 12 26 1 27 12 27 1