@MOLECULE (2e)-3-methyl-2-hexene 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.8937 0.5219 0.9035 C.3 1 UNL111111 -0.2912 2 C 2.0253 0.2924 -0.1139 C.3 1 UNL111111 -0.2372 3 C -0.4515 0.4040 0.2477 C.2 1 UNL111111 0.0246 4 C 2.1236 -1.1778 -0.5204 C.3 1 UNL111111 -0.4398 5 C -0.8744 1.5620 -0.5947 C.3 1 UNL111111 -0.4502 6 C -1.2127 -0.6848 0.4252 C.2 1 UNL111111 -0.2064 7 C -2.5568 -0.8773 -0.1856 C.3 1 UNL111111 -0.4320 8 H -0.8772 -1.5086 1.0518 H 1 UNL111111 0.1438 9 H 1.0023 1.5233 1.3665 H 1 UNL111111 0.1421 10 H 0.9954 -0.1969 1.7405 H 1 UNL111111 0.1448 11 H 1.8576 0.9201 -1.0097 H 1 UNL111111 0.1361 12 H 2.9860 0.6288 0.3193 H 1 UNL111111 0.1304 13 H 1.1713 -1.5354 -0.9334 H 1 UNL111111 0.1510 14 H 2.8944 -1.3305 -1.2826 H 1 UNL111111 0.1387 15 H 2.3678 -1.8163 0.3351 H 1 UNL111111 0.1411 16 H -1.0617 1.2511 -1.6330 H 1 UNL111111 0.1545 17 H -1.8049 2.0084 -0.2155 H 1 UNL111111 0.1551 18 H -0.1221 2.3597 -0.6296 H 1 UNL111111 0.1487 19 H -2.7991 -1.9405 -0.3123 H 1 UNL111111 0.1455 20 H -3.3401 -0.4364 0.4493 H 1 UNL111111 0.1524 21 H -2.6396 -0.4071 -1.1749 H 1 UNL111111 0.1480 @BOND 1 16 5 1 2 14 4 1 3 21 7 1 4 11 2 1 5 13 4 1 6 18 5 1 7 5 17 1 8 5 3 1 9 4 2 1 10 4 15 1 11 19 7 1 12 7 6 1 13 7 20 1 14 2 12 1 15 2 1 1 16 3 6 2 17 3 1 1 18 6 8 1 19 1 9 1 20 1 10 1