@MOLECULE phenyl sulfoxide 24 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4303 1.3029 -0.6503 C.ar 1 UNL11111111 -0.1259 2 C -3.0465 0.1670 -1.3605 C.ar 1 UNL11111111 -0.1596 3 C -1.9995 -0.6267 -0.8923 C.ar 1 UNL11111111 -0.0967 4 C -1.3420 -0.2764 0.2819 C.ar 1 UNL11111111 -0.2705 5 C -1.7279 0.8485 1.0032 C.ar 1 UNL11111111 -0.1223 6 C -2.7736 1.6418 0.5321 C.ar 1 UNL11111111 -0.1609 7 S 0.0011 -1.3085 0.8932 S.O 1 UNL11111111 1.1099 8 C 1.3406 -0.2689 0.2862 C.ar 1 UNL11111111 -0.2706 9 C 1.6963 0.8789 0.9869 C.ar 1 UNL11111111 -0.1222 10 C 2.7423 1.6736 0.5189 C.ar 1 UNL11111111 -0.1608 11 C 3.4282 1.3146 -0.6405 C.ar 1 UNL11111111 -0.1260 12 C 3.0738 0.1572 -1.3307 C.ar 1 UNL11111111 -0.1598 13 C 2.0273 -0.6385 -0.8652 C.ar 1 UNL11111111 -0.0970 14 O 0.0070 -2.5152 0.0254 O.2 1 UNL11111111 -0.7941 15 H 1.1744 1.1755 1.8960 H 1 UNL11111111 0.1470 16 H -1.7046 -1.5213 -1.4533 H 1 UNL11111111 0.1795 17 H 1.7553 -1.5501 -1.4106 H 1 UNL11111111 0.1799 18 H -1.2306 1.1282 1.9315 H 1 UNL11111111 0.1472 19 H 3.0215 2.5754 1.0584 H 1 UNL11111111 0.1480 20 H -3.5611 -0.1014 -2.2813 H 1 UNL11111111 0.1548 21 H 3.6108 -0.1264 -2.2339 H 1 UNL11111111 0.1547 22 H -3.0763 2.5263 1.0877 H 1 UNL11111111 0.1479 23 H 4.2425 1.9391 -1.0057 H 1 UNL11111111 0.1487 24 H -4.2437 1.9260 -1.0181 H 1 UNL11111111 0.1487 @BOND 1 20 2 1 2 21 12 1 3 16 3 1 4 17 13 1 5 2 3 ar 6 2 1 ar 7 12 13 ar 8 12 11 ar 9 24 1 1 10 23 11 1 11 3 4 ar 12 13 8 ar 13 1 6 ar 14 11 10 ar 15 14 7 2 16 4 7 1 17 4 5 ar 18 8 7 1 19 8 9 ar 20 10 9 ar 21 10 19 1 22 6 5 ar 23 6 22 1 24 9 15 1 25 5 18 1