@MOLECULE 3-isocyanato-1,1-dimethylcyclobutane 20 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.6432 0.4382 -1.1045 C.3 1 UNL1 -0.3568 2 C -1.5163 -0.2387 0.0003 C.3 1 UNL1 0.1118 3 C -2.9679 0.2085 -0.0169 C.3 1 UNL1 -0.4655 4 C -1.4074 -1.7532 0.0194 C.3 1 UNL1 -0.4658 5 C -0.6603 0.4647 1.1016 C.3 1 UNL1 -0.3556 6 C 0.1892 1.1703 -0.0035 C.3 1 UNL1 0.1477 7 N 1.5914 0.9074 0.0124 N.2 1 UNL1 -0.5314 8 C 2.2982 -0.0942 -0.0006 C.1 1 UNL1 0.5636 9 O 3.1942 -0.8512 -0.0069 O.2 1 UNL1 -0.3355 10 H -0.0775 -0.2569 -1.7272 H 1 UNL1 0.1558 11 H -1.1868 1.1089 -1.7722 H 1 UNL1 0.1538 12 H -3.4909 -0.1698 -0.9036 H 1 UNL1 0.1512 13 H -3.5090 -0.1601 0.8630 H 1 UNL1 0.1512 14 H -3.0623 1.3005 -0.0239 H 1 UNL1 0.1483 15 H -0.3657 -2.0936 0.0339 H 1 UNL1 0.1497 16 H -1.8998 -2.1768 0.9033 H 1 UNL1 0.1525 17 H -1.8826 -2.1975 -0.8638 H 1 UNL1 0.1525 18 H -1.2139 1.1502 1.7454 H 1 UNL1 0.1537 19 H -0.1033 -0.2151 1.7485 H 1 UNL1 0.1562 20 H 0.0735 2.2790 -0.0173 H 1 UNL1 0.1627 @BOND 1 11 1 1 2 10 1 1 3 1 6 1 4 1 2 1 5 12 3 1 6 17 4 1 7 14 3 1 8 20 6 1 9 3 2 1 10 3 13 1 11 9 8 2 12 6 7 1 13 6 5 1 14 8 7 2 15 2 4 1 16 2 5 1 17 4 15 1 18 4 16 1 19 5 18 1 20 5 19 1