@MOLECULE glutaral 15 14 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.4787 1.0776 0.0070 O.2 1 UNL11111111 -0.4214 2 O 2.4779 1.0780 0.0023 O.2 1 UNL11111111 -0.4214 3 C 0.0004 -0.1083 -0.0160 C.3 1 UNL11111111 -0.2275 4 C -1.2617 -0.9724 0.0076 C.3 1 UNL11111111 -0.3976 5 C 1.2621 -0.9728 0.0051 C.3 1 UNL11111111 -0.3977 6 C -2.5090 -0.1263 -0.0063 C.2 1 UNL11111111 0.3403 7 C 2.5089 -0.1260 -0.0008 C.2 1 UNL11111111 0.3404 8 H -0.0003 0.5529 -0.9079 H 1 UNL11111111 0.1639 9 H 0.0014 0.5992 0.8402 H 1 UNL11111111 0.1666 10 H -1.2690 -1.6215 0.9067 H 1 UNL11111111 0.1625 11 H -1.2739 -1.6628 -0.8598 H 1 UNL11111111 0.1613 12 H 1.2674 -1.6273 0.9003 H 1 UNL11111111 0.1623 13 H 1.2761 -1.6582 -0.8661 H 1 UNL11111111 0.1616 14 H -3.4669 -0.6621 -0.0297 H 1 UNL11111111 0.1033 15 H 3.4674 -0.6616 -0.0072 H 1 UNL11111111 0.1033 @BOND 1 8 3 1 2 13 5 1 3 11 4 1 4 14 6 1 5 3 5 1 6 3 4 1 7 3 9 1 8 15 7 1 9 6 1 2 10 6 4 1 11 7 2 2 12 7 5 1 13 5 12 1 14 4 10 1