@MOLECULE 3-methyl-4-octene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3183 1.1460 -0.7134 C.3 1 UNL11111111 -0.4369 2 C -2.5938 -0.1868 -0.5315 C.3 1 UNL11111111 -0.2610 3 C -1.2562 -0.0137 0.2185 C.3 1 UNL11111111 -0.0886 4 H -0.7206 0.8667 -0.2154 H 1 UNL11111111 0.1391 5 C -1.4775 0.2397 1.7166 C.3 1 UNL11111111 -0.4435 6 C -0.4407 -1.2629 0.0603 C.2 1 UNL11111111 -0.1827 7 C 0.8326 -1.3176 -0.3396 C.2 1 UNL11111111 -0.1673 8 C 1.6851 -0.1476 -0.7077 C.3 1 UNL11111111 -0.2789 9 C 2.8633 -0.0270 0.2737 C.3 1 UNL11111111 -0.2401 10 C 3.7188 1.1968 -0.0510 C.3 1 UNL11111111 -0.4405 11 H -4.2543 1.0136 -1.2672 H 1 UNL11111111 0.1396 12 H -3.5691 1.6029 0.2502 H 1 UNL11111111 0.1428 13 H -2.7050 1.8635 -1.2699 H 1 UNL11111111 0.1419 14 H -3.2403 -0.9013 0.0103 H 1 UNL11111111 0.1360 15 H -2.4013 -0.6420 -1.5229 H 1 UNL11111111 0.1377 16 H -2.0204 -0.5853 2.1892 H 1 UNL11111111 0.1442 17 H -0.5197 0.3482 2.2383 H 1 UNL11111111 0.1449 18 H -2.0537 1.1559 1.8815 H 1 UNL11111111 0.1433 19 H -0.9799 -2.1760 0.3167 H 1 UNL11111111 0.1427 20 H 1.3464 -2.2777 -0.4159 H 1 UNL11111111 0.1409 21 H 2.0638 -0.2680 -1.7436 H 1 UNL11111111 0.1452 22 H 1.1087 0.7989 -0.7162 H 1 UNL11111111 0.1441 23 H 2.4793 0.0409 1.3099 H 1 UNL11111111 0.1377 24 H 3.4800 -0.9445 0.2391 H 1 UNL11111111 0.1339 25 H 4.5540 1.2940 0.6514 H 1 UNL11111111 0.1405 26 H 4.1423 1.1357 -1.0596 H 1 UNL11111111 0.1421 27 H 3.1331 2.1214 0.0055 H 1 UNL11111111 0.1430 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 7 8 1 8 8 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1