@MOLECULE s-benzyl succinic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3304 0.3693 -0.0175 O.3 1 UNL111111111 -0.4119 2 O 1.1203 2.0867 -0.0132 O.2 1 UNL111111111 -0.5130 3 O 5.6027 -0.1754 0.0788 O.3 1 UNL111111111 -0.5636 4 O 4.1916 -1.8944 -0.0686 O.2 1 UNL111111111 -0.5051 5 C 1.9284 -0.2040 -0.0519 C.3 1 UNL111111111 -0.3353 6 C -2.6400 0.4411 0.0075 C.ar 1 UNL111111111 -0.0398 7 C -1.4192 1.3085 0.0044 C.3 1 UNL111111111 -0.0294 8 C 3.3332 0.3849 0.0254 C.3 1 UNL111111111 -0.3340 9 C 0.9151 0.8999 -0.0256 C.2 1 UNL111111111 0.6007 10 C -3.2180 0.0474 -1.1999 C.ar 1 UNL111111111 -0.1353 11 C -3.1929 0.0207 1.2179 C.ar 1 UNL111111111 -0.1354 12 C -4.3550 -0.7580 -1.1948 C.ar 1 UNL111111111 -0.1522 13 C -4.3294 -0.7854 1.2196 C.ar 1 UNL111111111 -0.1521 14 C -4.9112 -1.1739 0.0141 C.ar 1 UNL111111111 -0.1369 15 C 4.3534 -0.7053 0.0032 C.2 1 UNL111111111 0.6454 16 H 1.8002 -0.8223 -0.9712 H 1 UNL111111111 0.1954 17 H 1.7449 -0.9223 0.7805 H 1 UNL111111111 0.1957 18 H -1.3423 1.9587 -0.8872 H 1 UNL111111111 0.1456 19 H -1.3242 1.9377 0.9088 H 1 UNL111111111 0.1454 20 H 3.4567 1.0140 0.9388 H 1 UNL111111111 0.1976 21 H 3.5141 1.1024 -0.8104 H 1 UNL111111111 0.1990 22 H -2.7809 0.3637 -2.1449 H 1 UNL111111111 0.1542 23 H -2.7352 0.3175 2.1600 H 1 UNL111111111 0.1542 24 H -4.8076 -1.0644 -2.1357 H 1 UNL111111111 0.1515 25 H -4.7610 -1.1138 2.1632 H 1 UNL111111111 0.1515 26 H -5.7989 -1.8036 0.0160 H 1 UNL111111111 0.1506 27 H 6.3229 -0.8525 0.0687 H 1 UNL111111111 0.3572 @BOND 1 1 7 1 2 1 9 1 3 2 9 2 4 3 15 1 5 3 27 1 6 4 15 2 7 5 8 1 8 5 9 1 9 5 16 1 10 5 17 1 11 6 7 1 12 6 10 ar 13 6 11 ar 14 7 18 1 15 7 19 1 16 8 15 1 17 8 20 1 18 8 21 1 19 10 12 ar 20 10 22 1 21 11 13 ar 22 11 23 1 23 12 14 ar 24 12 24 1 25 13 14 ar 26 13 25 1 27 14 26 1