@MOLECULE 3-methylbut-1-ene 15 14 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0926 0.0010 0.1717 C.2 1 UNL1111111 -0.3454 2 C -0.9030 0.0049 -0.4280 C.2 1 UNL1111111 -0.1165 3 C 0.3972 -0.0000 0.3249 C.3 1 UNL1111111 -0.0800 4 C 1.1881 -1.2647 -0.0367 C.3 1 UNL1111111 -0.4480 5 C 1.1972 1.2596 -0.0344 C.3 1 UNL1111111 -0.4481 6 H -2.2280 -0.0055 1.2413 H 1 UNL1111111 0.1444 7 H -3.0286 0.0042 -0.3638 H 1 UNL1111111 0.1439 8 H -0.8018 0.0115 -1.5123 H 1 UNL1111111 0.1401 9 H 0.2083 -0.0001 1.4274 H 1 UNL1111111 0.1376 10 H 2.1465 1.2936 0.5104 H 1 UNL1111111 0.1444 11 H 1.4291 1.2991 -1.1041 H 1 UNL1111111 0.1455 12 H 0.6366 2.1673 0.2161 H 1 UNL1111111 0.1462 13 H 2.1373 -1.3063 0.5078 H 1 UNL1111111 0.1444 14 H 0.6213 -2.1688 0.2126 H 1 UNL1111111 0.1462 15 H 1.4194 -1.3040 -1.1065 H 1 UNL1111111 0.1455 @BOND 1 8 2 1 2 15 4 1 3 11 5 1 4 2 1 2 5 2 3 1 6 7 1 1 7 4 14 1 8 4 3 1 9 4 13 1 10 5 12 1 11 5 3 1 12 5 10 1 13 1 6 1 14 3 9 1