@MOLECULE (E,7S)-2,2,7-trimethyldec-5-ene 39 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8554 -0.2024 -1.5318 C.3 1 UNL11111111 -0.4650 2 C -3.7947 0.0658 -0.0202 C.3 1 UNL11111111 0.1285 3 C -4.1741 1.5278 0.2607 C.3 1 UNL11111111 -0.4656 4 C -4.8044 -0.8568 0.6906 C.3 1 UNL11111111 -0.4702 5 C -2.3875 -0.2525 0.5350 C.3 1 UNL11111111 -0.2906 6 C -1.2774 0.6398 -0.0398 C.3 1 UNL11111111 -0.2767 7 C 0.0511 0.2101 0.4953 C.2 1 UNL11111111 -0.1641 8 C 1.0602 -0.1668 -0.2937 C.2 1 UNL11111111 -0.1825 9 C 2.3983 -0.5880 0.2403 C.3 1 UNL11111111 -0.0921 10 H 2.4165 -0.5031 1.3547 H 1 UNL11111111 0.1366 11 C 2.6469 -2.0533 -0.1431 C.3 1 UNL11111111 -0.4455 12 C 3.4821 0.3422 -0.3422 C.3 1 UNL11111111 -0.2816 13 C 4.8128 0.1940 0.4058 C.3 1 UNL11111111 -0.2487 14 C 5.8652 1.1449 -0.1651 C.3 1 UNL11111111 -0.4403 15 H -3.2063 0.4812 -2.0882 H 1 UNL11111111 0.1440 16 H -3.5400 -1.2238 -1.7681 H 1 UNL11111111 0.1448 17 H -4.8720 -0.0720 -1.9170 H 1 UNL11111111 0.1431 18 H -5.2083 1.7326 -0.0345 H 1 UNL11111111 0.1433 19 H -4.0802 1.7653 1.3252 H 1 UNL11111111 0.1439 20 H -3.5346 2.2229 -0.2927 H 1 UNL11111111 0.1442 21 H -4.5718 -1.9120 0.5164 H 1 UNL11111111 0.1439 22 H -4.8049 -0.6897 1.7722 H 1 UNL11111111 0.1433 23 H -5.8232 -0.6815 0.3309 H 1 UNL11111111 0.1443 24 H -2.4007 -0.1576 1.6370 H 1 UNL11111111 0.1378 25 H -2.1460 -1.3126 0.3268 H 1 UNL11111111 0.1420 26 H -1.2984 0.6063 -1.1466 H 1 UNL11111111 0.1441 27 H -1.4600 1.7006 0.2297 H 1 UNL11111111 0.1470 28 H 0.1363 0.2298 1.5797 H 1 UNL11111111 0.1427 29 H 0.9723 -0.1937 -1.3772 H 1 UNL11111111 0.1450 30 H 2.7135 -2.1798 -1.2286 H 1 UNL11111111 0.1446 31 H 3.5798 -2.4259 0.2916 H 1 UNL11111111 0.1421 32 H 1.8331 -2.6944 0.2150 H 1 UNL11111111 0.1462 33 H 3.6242 0.1330 -1.4177 H 1 UNL11111111 0.1389 34 H 3.1366 1.3925 -0.2822 H 1 UNL11111111 0.1408 35 H 4.6657 0.3961 1.4835 H 1 UNL11111111 0.1331 36 H 5.1724 -0.8501 0.3388 H 1 UNL11111111 0.1343 37 H 6.0515 0.9442 -1.2261 H 1 UNL11111111 0.1420 38 H 5.5496 2.1905 -0.0778 H 1 UNL11111111 0.1427 39 H 6.8198 1.0435 0.3625 H 1 UNL11111111 0.1395 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 6 26 1 26 6 27 1 27 7 28 1 28 8 29 1 29 11 30 1 30 11 31 1 31 11 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 14 37 1 37 14 38 1 38 14 39 1