@MOLECULE (3s,5s,7s)-1-isocyanoadamantane 12 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.9029 -0.0022 0.0102 C.3 1 UNL1 -0.3817 2 C 0.4038 1.2936 0.7658 C.3 1 UNL1 0.3971 3 C 0.2794 -0.0033 -1.4478 C.3 1 UNL1 0.3945 4 C 0.4001 -1.2951 0.7672 C.3 1 UNL1 0.3969 5 N 2.2960 -0.0021 -0.0694 N.1 1 UNL1 -0.5314 6 C -1.0728 1.1664 0.6916 C.3 1 UNL1 -0.3916 7 C -1.1482 -0.0000 -1.2170 C.3 1 UNL1 -0.7402 8 C -1.0765 -1.1636 0.6935 C.3 1 UNL1 -0.3914 9 C 3.4759 0.0016 -0.1186 C.1 1 UNL1 0.3479 10 C -1.7011 1.2508 -0.7032 C.3 1 UNL1 0.4688 11 C -1.4352 0.0025 1.3399 C.3 1 UNL1 -0.0379 12 C -1.7057 -1.2482 -0.7008 C.3 1 UNL1 0.4690 @BOND 1 3 7 1 2 3 1 1 3 7 10 1 4 7 12 1 5 10 6 1 6 12 8 1 7 9 5 3 8 5 1 1 9 1 2 1 10 1 4 1 11 6 2 1 12 6 11 1 13 8 4 1 14 8 11 1