@MOLECULE (E,5S)-5-methyloct-3-ene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2962 -0.0344 0.2632 C.3 1 UNL11111111 -0.4308 2 C 3.1138 -0.8378 -0.2856 C.3 1 UNL11111111 -0.2584 3 C 1.8326 -0.3600 0.3203 C.2 1 UNL11111111 -0.1612 4 C 0.7919 0.0468 -0.4105 C.2 1 UNL11111111 -0.1864 5 C -0.4915 0.5319 0.1982 C.3 1 UNL11111111 -0.0925 6 H -0.4504 0.4469 1.3120 H 1 UNL11111111 0.1368 7 C -0.6853 2.0085 -0.1745 C.3 1 UNL11111111 -0.4447 8 C -1.6525 -0.3408 -0.3198 C.3 1 UNL11111111 -0.2803 9 C -2.9443 -0.0925 0.4687 C.3 1 UNL11111111 -0.2484 10 C -4.0771 -0.9773 -0.0527 C.3 1 UNL11111111 -0.4403 11 H 4.4036 -0.1659 1.3454 H 1 UNL11111111 0.1426 12 H 5.2373 -0.3428 -0.2043 H 1 UNL11111111 0.1400 13 H 4.1668 1.0378 0.0736 H 1 UNL11111111 0.1464 14 H 3.0920 -0.7648 -1.3912 H 1 UNL11111111 0.1402 15 H 3.2513 -1.9171 -0.0634 H 1 UNL11111111 0.1439 16 H 1.8125 -0.3665 1.4082 H 1 UNL11111111 0.1432 17 H 0.8148 0.0591 -1.4975 H 1 UNL11111111 0.1449 18 H -1.5554 2.4351 0.3337 H 1 UNL11111111 0.1428 19 H 0.1910 2.6017 0.1112 H 1 UNL11111111 0.1459 20 H -0.8333 2.1359 -1.2521 H 1 UNL11111111 0.1450 21 H -1.8207 -0.1485 -1.3950 H 1 UNL11111111 0.1390 22 H -1.3703 -1.4086 -0.2448 H 1 UNL11111111 0.1404 23 H -2.7762 -0.2882 1.5445 H 1 UNL11111111 0.1331 24 H -3.2348 0.9726 0.3958 H 1 UNL11111111 0.1346 25 H -5.0056 -0.8000 0.5009 H 1 UNL11111111 0.1395 26 H -4.2820 -0.7827 -1.1112 H 1 UNL11111111 0.1421 27 H -3.8322 -2.0407 0.0459 H 1 UNL11111111 0.1427 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 5 7 1 7 5 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 3 16 1 16 4 17 1 17 7 18 1 18 7 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