@MOLECULE homarine 17 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.3508 0.7630 0.0101 O.co2 1 UNL1 -0.6304 2 O 2.1704 -1.5032 -0.0110 O.co2 1 UNL1 -0.5734 3 N -0.5121 0.9320 -0.0022 N.pl3 1 UNL1 -0.0544 4 C 0.1455 -0.2399 0.0016 C.2 1 UNL1 -0.0179 5 C -1.8895 0.9711 -0.0041 C.2 1 UNL1 -0.0449 6 C -0.5690 -1.4482 0.0054 C.2 1 UNL1 -0.1741 7 C 0.2129 2.2081 -0.0025 C.3 1 UNL1 -0.2887 8 C -2.6191 -0.2022 -0.0009 C.2 1 UNL1 -0.1962 9 C -1.9492 -1.4396 0.0045 C.3 1 UNL1 -0.0797 10 C 1.8532 -0.3400 0.0001 C.2 1 UNL1 0.7453 11 H -2.3763 1.9513 -0.0083 H 1 UNL1 0.1795 12 H 0.0121 -2.3828 0.0086 H 1 UNL1 0.2171 13 H 0.8976 2.2664 -0.8806 H 1 UNL1 0.2104 14 H -0.4596 3.0766 -0.0099 H 1 UNL1 0.1505 15 H 0.8863 2.2724 0.8838 H 1 UNL1 0.2101 16 H -3.7086 -0.1692 -0.0025 H 1 UNL1 0.1758 17 H -2.5212 -2.3691 0.0076 H 1 UNL1 0.1707 @BOND 1 13 7 1 2 2 10 ar 3 14 7 1 4 11 5 1 5 5 3 1 6 5 8 2 7 7 3 1 8 7 15 1 9 16 8 1 10 3 4 1 11 8 9 1 12 10 4 1 13 10 1 ar 14 4 6 2 15 9 6 1 16 9 17 1 17 6 12 1