@MOLECULE (1r,2s,4r)-bicyclo[2.2.2]oct-5-ene-2-carbonitrile 21 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0581 -1.1130 0.3695 C.3 1 UNL111111111 -0.0114 2 C 0.7813 0.1289 0.8120 C.3 1 UNL111111111 -0.0394 3 C 0.0561 1.4254 0.3642 C.3 1 UNL111111111 -0.5367 4 C -1.2917 1.0570 -0.3030 C.3 1 UNL111111111 0.0673 5 C -0.9857 0.2179 -1.5691 C.3 1 UNL111111111 -0.4523 6 C -0.2423 -1.0724 -1.1668 C.3 1 UNL111111111 -0.2942 7 C -1.4172 -0.9512 0.9978 C.2 1 UNL111111111 -0.2307 8 C -2.0548 0.1755 0.6510 C.2 1 UNL111111111 -0.2556 9 H 0.4473 -2.0494 0.6781 H 1 UNL111111111 0.1319 10 H 0.8534 0.1164 1.9332 H 1 UNL111111111 0.1951 11 C 2.1120 0.0640 0.2463 C.1 1 UNL111111111 0.0845 12 H -0.1204 2.0817 1.2339 H 1 UNL111111111 0.2086 13 H 0.6754 2.0086 -0.3401 H 1 UNL111111111 0.2207 14 H -1.8526 1.9744 -0.5708 H 1 UNL111111111 0.1017 15 H -1.9275 -0.0254 -2.0906 H 1 UNL111111111 0.1819 16 H -0.3838 0.8099 -2.2790 H 1 UNL111111111 0.1804 17 H -0.8073 -1.9625 -1.4946 H 1 UNL111111111 0.1688 18 H 0.7388 -1.1314 -1.6698 H 1 UNL111111111 0.1602 19 H -1.7874 -1.7178 1.6559 H 1 UNL111111111 0.2064 20 H -3.0319 0.4811 0.9831 H 1 UNL111111111 0.1870 21 N 3.1765 0.0160 -0.2036 N.1 1 UNL111111111 -0.2740 @BOND 1 16 5 1 2 15 5 1 3 18 6 1 4 5 6 1 5 5 4 1 6 17 6 1 7 6 1 1 8 14 4 1 9 13 3 1 10 4 3 1 11 4 8 1 12 21 11 3 13 11 2 1 14 3 2 1 15 3 12 1 16 1 9 1 17 1 2 1 18 1 7 1 19 8 20 1 20 8 7 2 21 2 10 1 22 7 19 1