@MOLECULE nonalupine 43 46 0 0 0 SMALL USER_CHARGES @ATOM 1 N -1.3934 -0.3993 -0.7137 N.3 1 UNL1111111 -0.4148 2 N 1.3938 0.4003 -0.7129 N.3 1 UNL1111111 -0.4150 3 C -0.3301 1.1858 0.9257 C.3 1 UNL1111111 -0.1377 4 C 0.3300 -1.1866 0.9245 C.3 1 UNL1111111 -0.1377 5 C -1.5543 0.8669 0.0251 C.3 1 UNL1111111 0.0730 6 C 1.5542 -0.8668 0.0245 C.3 1 UNL1111111 0.0732 7 C -0.0003 -0.0009 1.8341 C.3 1 UNL1111111 -0.2893 8 C -0.9289 -1.5412 0.0990 C.3 1 UNL1111111 -0.1050 9 C 0.9289 1.5412 0.1008 C.3 1 UNL1111111 -0.1048 10 C -2.8440 0.9242 0.8915 C.3 1 UNL1111111 -0.3343 11 C 2.8437 -0.9252 0.8911 C.3 1 UNL1111111 -0.3343 12 C -2.6084 -0.7280 -1.4839 C.3 1 UNL1111111 -0.0979 13 C 2.6087 0.7296 -1.4831 C.3 1 UNL1111111 -0.0977 14 C 4.0782 -0.6205 0.0372 C.3 1 UNL1111111 -0.2574 15 C -4.0786 0.6202 0.0375 C.3 1 UNL1111111 -0.2574 16 C 3.9133 0.7333 -0.6614 C.3 1 UNL1111111 -0.3180 17 C -3.9126 -0.7329 -0.6619 C.3 1 UNL1111111 -0.3180 18 H -0.5880 2.0762 1.5469 H 1 UNL1111111 0.1299 19 H 0.5865 -2.0779 1.5449 H 1 UNL1111111 0.1299 20 H -1.6216 1.6625 -0.7662 H 1 UNL1111111 0.1389 21 H 1.6215 -1.6615 -0.7678 H 1 UNL1111111 0.1389 22 H 0.8474 0.2390 2.5002 H 1 UNL1111111 0.1380 23 H -0.8482 -0.2418 2.4995 H 1 UNL1111111 0.1380 24 H -0.6819 -2.3629 -0.6109 H 1 UNL1111111 0.1352 25 H -1.7140 -1.9231 0.7877 H 1 UNL1111111 0.1082 26 H 0.6821 2.3635 -0.6085 H 1 UNL1111111 0.1352 27 H 1.7138 1.9227 0.7900 H 1 UNL1111111 0.1082 28 H 2.9373 -1.9212 1.3555 H 1 UNL1111111 0.1354 29 H 2.7721 -0.2000 1.7199 H 1 UNL1111111 0.1412 30 H -2.7724 0.1979 1.7196 H 1 UNL1111111 0.1412 31 H -2.9375 1.9196 1.3571 H 1 UNL1111111 0.1354 32 H 2.6812 -0.0251 -2.2999 H 1 UNL1111111 0.1408 33 H 2.4608 1.7107 -1.9807 H 1 UNL1111111 0.1310 34 H -2.6813 0.0273 -2.3003 H 1 UNL1111111 0.1408 35 H -2.4604 -1.7089 -1.9825 H 1 UNL1111111 0.1310 36 H -4.2288 1.4192 -0.7125 H 1 UNL1111111 0.1361 37 H -4.9865 0.6177 0.6674 H 1 UNL1111111 0.1297 38 H 4.2278 -1.4187 -0.7136 H 1 UNL1111111 0.1361 39 H 4.9860 -0.6191 0.6670 H 1 UNL1111111 0.1297 40 H -3.8910 -1.5478 0.0827 H 1 UNL1111111 0.1374 41 H -4.7744 -0.9395 -1.3189 H 1 UNL1111111 0.1348 42 H 3.8928 1.5481 0.0834 H 1 UNL1111111 0.1374 43 H 4.7749 0.9391 -1.3189 H 1 UNL1111111 0.1348 @BOND 1 34 12 1 2 32 13 1 3 35 12 1 4 33 13 1 5 12 1 1 6 12 17 1 7 13 2 1 8 13 16 1 9 41 17 1 10 43 16 1 11 21 6 1 12 20 5 1 13 38 14 1 14 1 5 1 15 1 8 1 16 2 6 1 17 2 9 1 18 36 15 1 19 17 15 1 20 17 40 1 21 16 14 1 22 16 42 1 23 24 8 1 24 26 9 1 25 6 11 1 26 6 4 1 27 5 10 1 28 5 3 1 29 14 39 1 30 14 11 1 31 15 37 1 32 15 10 1 33 8 25 1 34 8 4 1 35 9 27 1 36 9 3 1 37 11 28 1 38 11 29 1 39 10 31 1 40 10 30 1 41 4 19 1 42 4 7 1 43 3 18 1 44 3 7 1 45 7 23 1 46 7 22 1