@MOLECULE (E)-2,7,7-trimethyldec-5-ene 39 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2349 0.1699 -0.3743 C.3 1 UNL111 -0.0600 2 C -5.2412 -0.9757 -0.2004 C.3 1 UNL111 -0.4575 3 C -4.7610 1.4344 0.3151 C.3 1 UNL111 -0.4539 4 C -2.8710 -0.2490 0.2058 C.3 1 UNL111 -0.2791 5 C -1.7472 0.6972 -0.2451 C.3 1 UNL111 -0.2806 6 C -0.4382 0.2358 0.3128 C.2 1 UNL111 -0.1591 7 C 0.5802 -0.1405 -0.4634 C.2 1 UNL111 -0.1974 8 C 1.9316 -0.6014 0.0259 C.3 1 UNL111 0.0981 9 C 1.9259 -0.9332 1.5249 C.3 1 UNL111 -0.4591 10 C 2.3115 -1.8687 -0.7629 C.3 1 UNL111 -0.4594 11 C 2.9178 0.5557 -0.2748 C.3 1 UNL111 -0.2917 12 C 4.3683 0.2508 0.1159 C.3 1 UNL111 -0.2463 13 C 5.2822 1.4212 -0.2515 C.3 1 UNL111 -0.4412 14 H -4.1159 0.3773 -1.4650 H 1 UNL111 0.1287 15 H -6.2263 -0.7011 -0.5922 H 1 UNL111 0.1425 16 H -4.9159 -1.8765 -0.7313 H 1 UNL111 0.1419 17 H -5.3690 -1.2400 0.8545 H 1 UNL111 0.1445 18 H -4.0784 2.2793 0.1763 H 1 UNL111 0.1417 19 H -5.7358 1.7298 -0.0871 H 1 UNL111 0.1409 20 H -4.8817 1.2816 1.3929 H 1 UNL111 0.1443 21 H -2.9223 -0.2823 1.3091 H 1 UNL111 0.1391 22 H -2.6286 -1.2805 -0.1145 H 1 UNL111 0.1410 23 H -1.7235 0.7528 -1.3510 H 1 UNL111 0.1417 24 H -1.9557 1.7312 0.0990 H 1 UNL111 0.1462 25 H -0.3870 0.2298 1.3991 H 1 UNL111 0.1455 26 H 0.4950 -0.1236 -1.5502 H 1 UNL111 0.1439 27 H 1.1321 -1.6491 1.7659 H 1 UNL111 0.1477 28 H 2.8746 -1.3807 1.8388 H 1 UNL111 0.1444 29 H 1.7699 -0.0369 2.1341 H 1 UNL111 0.1451 30 H 2.4379 -1.6560 -1.8289 H 1 UNL111 0.1435 31 H 3.2492 -2.3002 -0.3994 H 1 UNL111 0.1448 32 H 1.5361 -2.6364 -0.6643 H 1 UNL111 0.1476 33 H 2.8714 0.8015 -1.3527 H 1 UNL111 0.1384 34 H 2.5736 1.4645 0.2549 H 1 UNL111 0.1413 35 H 4.4372 0.0469 1.2007 H 1 UNL111 0.1345 36 H 4.7151 -0.6691 -0.3907 H 1 UNL111 0.1345 37 H 5.2527 1.6301 -1.3265 H 1 UNL111 0.1419 38 H 4.9874 2.3378 0.2710 H 1 UNL111 0.1423 39 H 6.3233 1.2097 0.0147 H 1 UNL111 0.1391 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 6 25 1 25 7 26 1 26 9 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 10 32 1 32 11 33 1 33 11 34 1 34 12 35 1 35 12 36 1 36 13 37 1 37 13 38 1 38 13 39 1