@MOLECULE 3-ethyl-2-hexene 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.9981 -0.1142 0.6016 C.3 1 UNL11111111 -0.2919 2 C 0.3973 0.0984 0.0858 C.2 1 UNL11111111 -0.0059 3 C -2.0228 0.2868 -0.4726 C.3 1 UNL11111111 -0.2401 4 C 0.9862 -1.0596 -0.6622 C.3 1 UNL11111111 -0.2650 5 C 1.0304 1.2587 0.3014 C.2 1 UNL11111111 -0.1900 6 C -3.4497 0.0535 0.0212 C.3 1 UNL11111111 -0.4395 7 C 1.7324 -1.9880 0.3003 C.3 1 UNL11111111 -0.4272 8 C 2.4070 1.5926 -0.1551 C.3 1 UNL11111111 -0.4349 9 H -1.1480 -1.1717 0.8951 H 1 UNL11111111 0.1459 10 H -1.1743 0.4707 1.5254 H 1 UNL11111111 0.1439 11 H -1.8405 -0.2884 -1.3996 H 1 UNL11111111 0.1348 12 H -1.8808 1.3498 -0.7453 H 1 UNL11111111 0.1380 13 H 1.6714 -0.7090 -1.4600 H 1 UNL11111111 0.1427 14 H 0.1919 -1.6236 -1.1926 H 1 UNL11111111 0.1418 15 H 0.5425 2.0623 0.8539 H 1 UNL11111111 0.1426 16 H -3.6141 -0.9956 0.2912 H 1 UNL11111111 0.1420 17 H -4.1832 0.3141 -0.7500 H 1 UNL11111111 0.1408 18 H -3.6716 0.6606 0.9059 H 1 UNL11111111 0.1427 19 H 2.5600 -1.4637 0.7927 H 1 UNL11111111 0.1467 20 H 2.1472 -2.8548 -0.2238 H 1 UNL11111111 0.1393 21 H 1.0680 -2.3594 1.0889 H 1 UNL11111111 0.1438 22 H 2.9196 0.7522 -0.6404 H 1 UNL11111111 0.1492 23 H 3.0370 1.9051 0.6905 H 1 UNL11111111 0.1498 24 H 2.3902 2.4240 -0.8751 H 1 UNL11111111 0.1506 @BOND 1 13 4 1 2 11 3 1 3 14 4 1 4 24 8 1 5 17 6 1 6 12 3 1 7 4 2 1 8 4 7 1 9 22 8 1 10 3 6 1 11 3 1 1 12 20 7 1 13 8 5 1 14 8 23 1 15 6 16 1 16 6 18 1 17 2 5 2 18 2 1 1 19 7 19 1 20 7 21 1 21 5 15 1 22 1 9 1 23 1 10 1