@MOLECULE 2,2,4-trimethyl-3-pentene 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.3229 0.7480 -1.2890 C.3 1 UNL111 -0.4600 2 C -1.1254 -0.0675 0.0013 C.3 1 UNL111 0.1351 3 C -1.3151 0.8252 1.2397 C.3 1 UNL111 -0.4605 4 C -2.2086 -1.1701 0.0359 C.3 1 UNL111 -0.4655 5 C 0.2339 -0.7134 0.0129 C.2 1 UNL111 -0.2584 6 C 1.4369 -0.1250 0.0059 C.2 1 UNL111 0.0571 7 C 1.7097 1.3411 -0.0041 C.3 1 UNL111 -0.4569 8 C 2.6801 -0.9655 0.0021 C.3 1 UNL111 -0.4605 9 H -0.6547 1.6134 -1.3314 H 1 UNL111 0.1430 10 H -1.1166 0.1331 -2.1720 H 1 UNL111 0.1469 11 H -2.3489 1.1194 -1.3701 H 1 UNL111 0.1431 12 H -2.3146 1.2705 1.2578 H 1 UNL111 0.1426 13 H -1.1879 0.2453 2.1600 H 1 UNL111 0.1466 14 H -0.5883 1.6421 1.2687 H 1 UNL111 0.1445 15 H -2.1523 -1.8073 -0.8520 H 1 UNL111 0.1437 16 H -2.0966 -1.8100 0.9164 H 1 UNL111 0.1436 17 H -3.2124 -0.7361 0.0685 H 1 UNL111 0.1439 18 H 0.1868 -1.8051 0.0247 H 1 UNL111 0.1479 19 H 2.0968 1.6710 0.9711 H 1 UNL111 0.1555 20 H 2.4616 1.6033 -0.7616 H 1 UNL111 0.1531 21 H 0.8172 1.9442 -0.2184 H 1 UNL111 0.1563 22 H 3.0940 -1.0375 -1.0140 H 1 UNL111 0.1556 23 H 3.4616 -0.5413 0.6454 H 1 UNL111 0.1523 24 H 2.4978 -1.9898 0.3509 H 1 UNL111 0.1508 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 6 7 1 7 6 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 7 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1