@MOLECULE 3,5-dimethyl-3-heptene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.1141 0.6513 0.9008 C.3 1 UNL11111111 -0.4367 2 C 2.0092 -0.3963 0.7714 C.3 1 UNL11111111 -0.2599 3 C 1.0172 -0.0471 -0.3591 C.3 1 UNL11111111 -0.0825 4 H 0.7518 1.0354 -0.2787 H 1 UNL11111111 0.1391 5 C 1.6357 -0.2872 -1.7439 C.3 1 UNL11111111 -0.4462 6 C -0.2033 -0.9050 -0.2056 C.2 1 UNL11111111 -0.2376 7 C -1.3913 -0.4816 0.2425 C.2 1 UNL11111111 0.0266 8 C -2.5501 -1.4206 0.3569 C.3 1 UNL11111111 -0.4545 9 C -1.6814 0.9305 0.6593 C.3 1 UNL11111111 -0.2708 10 C -2.0938 1.7689 -0.5543 C.3 1 UNL11111111 -0.4268 11 H 2.7012 1.6494 1.0845 H 1 UNL11111111 0.1405 12 H 3.7869 0.4147 1.7325 H 1 UNL11111111 0.1391 13 H 3.7218 0.7078 -0.0091 H 1 UNL11111111 0.1426 14 H 2.4473 -1.3951 0.5925 H 1 UNL11111111 0.1371 15 H 1.4574 -0.4768 1.7281 H 1 UNL11111111 0.1370 16 H 1.9725 -1.3224 -1.8610 H 1 UNL11111111 0.1437 17 H 0.9068 -0.0842 -2.5363 H 1 UNL11111111 0.1432 18 H 2.5001 0.3638 -1.9095 H 1 UNL11111111 0.1425 19 H -0.0513 -1.9446 -0.4914 H 1 UNL11111111 0.1473 20 H -2.8049 -1.6056 1.4100 H 1 UNL11111111 0.1542 21 H -3.4443 -1.0082 -0.1306 H 1 UNL11111111 0.1542 22 H -2.3524 -2.3966 -0.1045 H 1 UNL11111111 0.1502 23 H -2.4830 0.9561 1.4244 H 1 UNL11111111 0.1421 24 H -0.7982 1.3848 1.1529 H 1 UNL11111111 0.1447 25 H -2.3059 2.8043 -0.2691 H 1 UNL11111111 0.1397 26 H -1.3019 1.7847 -1.3129 H 1 UNL11111111 0.1473 27 H -2.9918 1.3612 -1.0320 H 1 UNL11111111 0.1439 @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 7 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 8 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