@MOLECULE 6-hydroxy-8-isocyano-8-[(z)-1-isocyano-2-(4-methoxyphenyl)vinyl]bicyclo[4.2.0]oct-4-en-3-one 25 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.0054 2.3594 1.5864 O.2 1 UNL1 -0.2750 2 O -4.4332 -3.4597 0.1735 O.2 1 UNL1 -0.2839 3 O 8.0174 -0.2593 0.7101 O.2 1 UNL1 -0.4343 4 N -1.6908 1.1833 -2.1110 N.1 1 UNL1 -0.6068 5 N -0.1254 0.8370 1.0753 N.1 1 UNL1 -0.5772 6 C -2.1961 -0.7961 -0.8470 C.3 1 UNL1 -0.0892 7 C -3.6618 1.3583 0.9885 C.2 1 UNL1 0.4002 8 C -1.6750 0.5736 -0.8235 C.3 1 UNL1 0.3283 9 C -2.5798 1.2975 0.0754 C.3 1 UNL1 -0.0727 10 C -2.8861 -1.7614 -0.5743 C.3 1 UNL1 -0.1280 11 C -4.2604 0.0483 1.0792 C.1 1 UNL1 -0.1052 12 C -0.2296 0.5416 -0.2568 C.2 1 UNL1 0.2009 13 C -4.0024 -2.3479 0.1566 C.2 1 UNL1 0.5236 14 C -4.4169 -1.1393 0.8546 C.2 1 UNL1 -0.1188 15 C 0.8169 0.2056 -1.0508 C.2 1 UNL1 -0.1736 16 C 2.1783 0.1175 -0.6138 C.ar 1 UNL1 0.0073 17 C -1.7119 1.7092 -3.1723 C.1 1 UNL1 0.3962 18 C 3.2586 -0.1657 -1.4644 C.ar 1 UNL1 0.0013 19 C 2.6614 0.2831 0.6920 C.ar 1 UNL1 -0.0038 20 C 0.0360 1.0987 2.2269 C.1 1 UNL1 0.4145 21 C 4.5218 -0.2609 -1.0918 C.ar 1 UNL1 -0.0332 22 C 3.9266 0.1835 1.0590 C.ar 1 UNL1 -0.0329 23 C 4.8928 -0.0926 0.1804 C.ar 1 UNL1 0.0340 24 C 7.9526 -1.3961 0.6768 C.2 1 UNL1 0.4346 25 H 0.6445 -0.0226 -2.1119 H 1 UNL1 0.1937 @BOND 1 17 4 3 2 25 15 1 3 4 8 1 4 18 21 ar 5 18 16 ar 6 21 23 ar 7 15 16 1 8 15 12 2 9 6 8 1 10 6 10 1 11 8 12 1 12 8 9 1 13 16 19 ar 14 10 13 1 15 12 5 1 16 9 7 1 17 13 2 2 18 13 14 1 19 23 22 ar 20 24 3 2 21 19 22 ar 22 14 11 2 23 7 11 2 24 7 1 1 25 5 20 3