@MOLECULE 3-methyl-1-pentene 18 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3487 0.5913 0.2928 C.3 1 UNL11111111 -0.4368 2 C 1.0299 0.6368 -0.4776 C.3 1 UNL11111111 -0.2604 3 C -0.0622 -0.2117 0.2071 C.3 1 UNL11111111 -0.1003 4 H -0.0571 0.0167 1.3013 H 1 UNL11111111 0.1410 5 C 0.1944 -1.7127 0.0172 C.3 1 UNL11111111 -0.4451 6 C -1.3959 0.1357 -0.3923 C.2 1 UNL11111111 -0.1222 7 C -2.4062 0.6367 0.3171 C.2 1 UNL11111111 -0.3420 8 H 2.2299 0.9663 1.3155 H 1 UNL11111111 0.1425 9 H 2.7403 -0.4299 0.3591 H 1 UNL11111111 0.1435 10 H 3.1136 1.2051 -0.1960 H 1 UNL11111111 0.1410 11 H 0.6821 1.6853 -0.5583 H 1 UNL11111111 0.1383 12 H 1.1836 0.2891 -1.5159 H 1 UNL11111111 0.1367 13 H 0.2713 -1.9786 -1.0423 H 1 UNL11111111 0.1445 14 H 1.1266 -2.0187 0.5039 H 1 UNL11111111 0.1449 15 H -0.6167 -2.3086 0.4509 H 1 UNL11111111 0.1457 16 H -1.4786 -0.0559 -1.4611 H 1 UNL11111111 0.1401 17 H -2.3579 0.8369 1.3756 H 1 UNL11111111 0.1445 18 H -3.3650 0.8865 -0.1087 H 1 UNL11111111 0.1442 @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 1 8 1 8 1 9 1 9 1 10 1 10 2 11 1 11 2 12 1 12 5 13 1 13 5 14 1 14 5 15 1 15 6 16 1 16 7 17 1 17 7 18 1