@MOLECULE (3e)-7-methyl-3-octene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.0553 -0.7983 -0.8949 C.3 1 UNL111 -0.4307 2 C -3.5251 0.2954 0.0365 C.3 1 UNL111 -0.2587 3 C -2.1482 -0.0453 0.5096 C.2 1 UNL111 -0.1621 4 C -1.1099 0.7865 0.3926 C.2 1 UNL111 -0.1718 5 C 0.2643 0.4359 0.8661 C.3 1 UNL111 -0.2794 6 C 1.2379 0.4227 -0.3228 C.3 1 UNL111 -0.2793 7 C 2.6734 0.0808 0.1176 C.3 1 UNL111 -0.0594 8 C 2.7958 -1.4009 0.4928 C.3 1 UNL111 -0.4531 9 C 3.6518 0.4124 -1.0175 C.3 1 UNL111 -0.4572 10 H -3.3933 -0.9359 -1.7582 H 1 UNL111 0.1469 11 H -4.1298 -1.7630 -0.3807 H 1 UNL111 0.1426 12 H -5.0506 -0.5472 -1.2760 H 1 UNL111 0.1399 13 H -3.5468 1.2739 -0.4834 H 1 UNL111 0.1400 14 H -4.1998 0.4108 0.9108 H 1 UNL111 0.1433 15 H -2.0517 -1.0311 0.9603 H 1 UNL111 0.1433 16 H -1.2008 1.7704 -0.0619 H 1 UNL111 0.1428 17 H 0.6005 1.1705 1.6262 H 1 UNL111 0.1448 18 H 0.2790 -0.5467 1.3775 H 1 UNL111 0.1434 19 H 0.8920 -0.3021 -1.0829 H 1 UNL111 0.1428 20 H 1.2244 1.4098 -0.8220 H 1 UNL111 0.1375 21 H 2.9365 0.7006 1.0081 H 1 UNL111 0.1282 22 H 2.5038 -2.0497 -0.3399 H 1 UNL111 0.1451 23 H 3.8244 -1.6576 0.7664 H 1 UNL111 0.1408 24 H 2.1561 -1.6525 1.3452 H 1 UNL111 0.1417 25 H 3.6167 1.4754 -1.2778 H 1 UNL111 0.1412 26 H 4.6828 0.1777 -0.7333 H 1 UNL111 0.1423 27 H 3.4220 -0.1590 -1.9230 H 1 UNL111 0.1451 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 9 27 1