@MOLECULE lauronitrile 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 N -7.3824 -0.6668 0.0010 N.1 1 UNL111111111 -0.2644 2 C 1.0973 -0.4341 -0.0016 C.3 1 UNL111111111 -0.2723 3 C -0.1371 0.4754 0.0001 C.3 1 UNL111111111 -0.2747 4 C 2.3840 0.4031 -0.0011 C.3 1 UNL111111111 -0.2726 5 C -1.4308 -0.3495 -0.0010 C.3 1 UNL111111111 -0.2684 6 C 3.6208 -0.5045 -0.0004 C.3 1 UNL111111111 -0.2744 7 C -2.6525 0.5788 -0.0005 C.3 1 UNL111111111 -0.2724 8 C 4.9069 0.3315 0.0005 C.3 1 UNL111111111 -0.2722 9 C -3.9508 -0.2349 0.0014 C.3 1 UNL111111111 -0.2587 10 C 6.1455 -0.5746 0.0006 C.3 1 UNL111111111 -0.2507 11 C -5.1709 0.7024 0.0004 C.3 1 UNL111111111 -0.2665 12 C 7.4289 0.2562 0.0011 C.3 1 UNL111111111 -0.4396 13 C -6.3982 -0.0587 -0.0005 C.1 1 UNL111111111 0.1154 14 H 1.0795 -1.0986 -0.8850 H 1 UNL111111111 0.1375 15 H 1.0791 -1.1001 0.8809 H 1 UNL111111111 0.1375 16 H -0.1144 1.1392 0.8839 H 1 UNL111111111 0.1367 17 H -0.1150 1.1420 -0.8818 H 1 UNL111111111 0.1367 18 H 2.4041 1.0691 -0.8839 H 1 UNL111111111 0.1365 19 H 2.4030 1.0688 0.8819 H 1 UNL111111111 0.1365 20 H -1.4568 -1.0150 -0.8843 H 1 UNL111111111 0.1394 21 H -1.4572 -1.0161 0.8814 H 1 UNL111111111 0.1394 22 H 3.6018 -1.1702 0.8825 H 1 UNL111111111 0.1368 23 H 3.6028 -1.1704 -0.8832 H 1 UNL111111111 0.1368 24 H -2.6166 1.2450 0.8828 H 1 UNL111111111 0.1398 25 H -2.6177 1.2441 -0.8846 H 1 UNL111111111 0.1398 26 H 4.9267 0.9970 0.8833 H 1 UNL111111111 0.1365 27 H 4.9272 0.9983 -0.8815 H 1 UNL111111111 0.1365 28 H -3.9825 -0.9004 0.8857 H 1 UNL111111111 0.1499 29 H -3.9837 -0.9041 -0.8807 H 1 UNL111111111 0.1499 30 H 6.1265 -1.2413 0.8832 H 1 UNL111111111 0.1338 31 H 6.1266 -1.2407 -0.8826 H 1 UNL111111111 0.1338 32 H -5.1319 1.3812 0.8857 H 1 UNL111111111 0.1761 33 H -5.1333 1.3763 -0.8890 H 1 UNL111111111 0.1760 34 H 8.3172 -0.3852 0.0008 H 1 UNL111111111 0.1406 35 H 7.4884 0.9007 0.8851 H 1 UNL111111111 0.1424 36 H 7.4894 0.9015 -0.8823 H 1 UNL111111111 0.1424 @BOND 1 33 11 1 2 14 2 1 3 25 7 1 4 20 5 1 5 18 4 1 6 23 6 1 7 31 10 1 8 36 12 1 9 17 3 1 10 27 8 1 11 29 9 1 12 2 4 1 13 2 3 1 14 2 15 1 15 4 6 1 16 4 19 1 17 5 7 1 18 5 3 1 19 5 21 1 20 7 9 1 21 7 24 1 22 13 11 1 23 13 1 3 24 6 8 1 25 6 22 1 26 3 16 1 27 11 9 1 28 11 32 1 29 8 10 1 30 8 26 1 31 10 12 1 32 10 30 1 33 34 12 1 34 12 35 1 35 9 28 1