@MOLECULE (E)-2,2,8,8-tetramethylnon-4-ene 39 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6214 0.5249 -1.5016 C.3 1 UNL1111111 -0.4665 2 C -3.4498 0.2716 0.0038 C.3 1 UNL1111111 0.1391 3 C -2.7237 1.4615 0.6480 C.3 1 UNL1111111 -0.4653 4 C -4.8393 0.1134 0.6477 C.3 1 UNL1111111 -0.4713 5 C -2.6494 -1.0328 0.2503 C.3 1 UNL1111111 -0.3093 6 C -1.2696 -0.9722 -0.3192 C.2 1 UNL1111111 -0.1564 7 C -0.1700 -1.0287 0.4374 C.2 1 UNL1111111 -0.1741 8 C 1.2107 -0.9863 -0.1346 C.3 1 UNL1111111 -0.2754 9 C 2.0486 0.0811 0.5851 C.3 1 UNL1111111 -0.2902 10 C 3.4668 0.2602 -0.0029 C.3 1 UNL1111111 0.1287 11 C 3.3919 0.7599 -1.4540 C.3 1 UNL1111111 -0.4647 12 C 4.2057 1.3121 0.8476 C.3 1 UNL1111111 -0.4703 13 C 4.2518 -1.0592 0.0495 C.3 1 UNL1111111 -0.4659 14 H -2.6597 0.7284 -1.9845 H 1 UNL1111111 0.1468 15 H -4.0703 -0.3375 -2.0041 H 1 UNL1111111 0.1429 16 H -4.2675 1.3894 -1.6862 H 1 UNL1111111 0.1439 17 H -3.2665 2.3971 0.4844 H 1 UNL1111111 0.1418 18 H -2.6122 1.3244 1.7281 H 1 UNL1111111 0.1434 19 H -1.7172 1.5818 0.2300 H 1 UNL1111111 0.1523 20 H -5.3945 -0.7171 0.2010 H 1 UNL1111111 0.1431 21 H -4.7635 -0.0758 1.7230 H 1 UNL1111111 0.1435 22 H -5.4407 1.0187 0.5165 H 1 UNL1111111 0.1453 23 H -2.6228 -1.2371 1.3391 H 1 UNL1111111 0.1436 24 H -3.1953 -1.8893 -0.1959 H 1 UNL1111111 0.1457 25 H -1.2226 -0.8839 -1.4026 H 1 UNL1111111 0.1426 26 H -0.2162 -1.1136 1.5209 H 1 UNL1111111 0.1433 27 H 1.6866 -1.9831 -0.0253 H 1 UNL1111111 0.1471 28 H 1.1911 -0.7838 -1.2235 H 1 UNL1111111 0.1436 29 H 1.5139 1.0497 0.5466 H 1 UNL1111111 0.1417 30 H 2.1288 -0.1760 1.6582 H 1 UNL1111111 0.1375 31 H 2.7896 1.6710 -1.5301 H 1 UNL1111111 0.1451 32 H 4.3882 0.9870 -1.8467 H 1 UNL1111111 0.1422 33 H 2.9444 0.0112 -2.1155 H 1 UNL1111111 0.1440 34 H 4.2927 0.9930 1.8907 H 1 UNL1111111 0.1432 35 H 5.2195 1.4839 0.4723 H 1 UNL1111111 0.1438 36 H 3.6833 2.2737 0.8353 H 1 UNL1111111 0.1440 37 H 3.8084 -1.8176 -0.6034 H 1 UNL1111111 0.1442 38 H 5.2880 -0.9167 -0.2744 H 1 UNL1111111 0.1431 39 H 4.2753 -1.4685 1.0646 H 1 UNL1111111 0.1440 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 3 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 6 25 1 25 7 26 1 26 8 27 1 27 8 28 1 28 9 29 1 29 9 30 1 30 11 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1 36 13 37 1 37 13 38 1 38 13 39 1