@MOLECULE mtep 22 23 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.9554 -0.9319 0.3342 S.2 1 UNL1111111111 0.1459 2 N -2.2590 0.9170 -0.3313 N.ar 1 UNL1111111111 -0.3689 3 N 4.5305 1.0435 0.7207 N.ar 1 UNL1111111111 -0.3700 4 C -3.5492 0.7177 -0.2560 C.ar 1 UNL1111111111 0.1337 5 C -1.5169 -0.2101 0.0682 C.ar 1 UNL1111111111 0.1675 6 C -2.2659 -1.2947 0.4567 C.ar 1 UNL1111111111 -0.3346 7 C -4.5778 1.7094 -0.6067 C.3 1 UNL1111111111 -0.4471 8 C 2.4973 -0.0282 -0.0123 C.ar 1 UNL1111111111 -0.0673 9 C 3.2427 -0.9432 -0.7678 C.ar 1 UNL1111111111 -0.0645 10 C 3.1910 0.9576 0.7214 C.ar 1 UNL1111111111 0.0731 11 C 4.6309 -0.8499 -0.7696 C.ar 1 UNL1111111111 -0.2456 12 C -0.1173 -0.1406 0.0396 C.1 1 UNL1111111111 -0.0563 13 C 1.0964 -0.0840 0.0151 C.1 1 UNL1111111111 -0.0482 14 C 5.2372 0.1597 -0.0105 C.ar 1 UNL1111111111 0.0600 15 H -1.8953 -2.2458 0.7955 H 1 UNL1111111111 0.1964 16 H -5.2249 1.9661 0.2484 H 1 UNL1111111111 0.1746 17 H -4.1169 2.6585 -0.9473 H 1 UNL1111111111 0.1908 18 H -5.2306 1.3679 -1.4270 H 1 UNL1111111111 0.1746 19 H 2.7346 -1.7150 -1.3467 H 1 UNL1111111111 0.1657 20 H 2.6559 1.7006 1.3268 H 1 UNL1111111111 0.1830 21 H 5.2357 -1.5432 -1.3469 H 1 UNL1111111111 0.1671 22 H 6.3262 0.2795 0.0250 H 1 UNL1111111111 0.1702 @BOND 1 1 4 ar 2 1 6 ar 3 2 4 ar 4 2 5 ar 5 3 10 ar 6 3 14 ar 7 4 7 1 8 5 6 ar 9 5 12 1 10 6 15 1 11 7 16 1 12 7 17 1 13 7 18 1 14 8 9 ar 15 8 10 ar 16 8 13 1 17 9 11 ar 18 9 19 1 19 10 20 1 20 11 14 ar 21 11 21 1 22 12 13 3 23 14 22 1