@MOLECULE 3-methyl-1,4-pentadiene 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0001 -0.3346 0.2465 C.3 1 UNL111111111 -0.1177 2 C 0.0213 -1.8670 0.1344 C.3 1 UNL111111111 -0.4401 3 C -1.2330 0.2054 -0.4234 C.2 1 UNL111111111 -0.1156 4 C 1.2131 0.2373 -0.4334 C.2 1 UNL111111111 -0.1146 5 C -2.1368 0.9500 0.2114 C.2 1 UNL111111111 -0.3345 6 C 2.1323 0.9563 0.2090 C.2 1 UNL111111111 -0.3352 7 H 0.0006 -0.0600 1.3324 H 1 UNL111111111 0.1486 8 H -0.8612 -2.3073 0.6122 H 1 UNL111111111 0.1487 9 H 0.0327 -2.1985 -0.9094 H 1 UNL111111111 0.1463 10 H 0.9091 -2.2833 0.6237 H 1 UNL111111111 0.1488 11 H -1.3354 -0.0594 -1.4748 H 1 UNL111111111 0.1416 12 H 1.2872 0.0193 -1.4976 H 1 UNL111111111 0.1417 13 H -3.0241 1.3394 -0.2628 H 1 UNL111111111 0.1455 14 H -2.0641 1.2323 1.2497 H 1 UNL111111111 0.1454 15 H 3.0056 1.3691 -0.2714 H 1 UNL111111111 0.1456 16 H 2.0877 1.1918 1.2604 H 1 UNL111111111 0.1454 @BOND 1 12 4 1 2 11 3 1 3 9 2 1 4 4 6 2 5 4 1 1 6 3 5 2 7 3 1 1 8 15 6 1 9 13 5 1 10 2 1 1 11 2 8 1 12 2 10 1 13 6 16 1 14 5 14 1 15 1 7 1