@MOLECULE (2R)-2-[(E)-4,4-dimethylhex-1-enyl]-1,1-dimethyl-cyclobutane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.2446 -0.3471 0.3904 C.3 1 UNL111 -0.4335 2 C 3.9367 0.2851 0.8651 C.3 1 UNL111 -0.2821 3 C 2.7524 0.1038 -0.1183 C.3 1 UNL111 0.1227 4 C 3.0726 0.7538 -1.4713 C.3 1 UNL111 -0.4643 5 C 2.4471 -1.3867 -0.3177 C.3 1 UNL111 -0.4614 6 C 1.5223 0.8100 0.5216 C.3 1 UNL111 -0.3114 7 C 0.2606 0.5420 -0.2319 C.2 1 UNL111 -0.1520 8 C -0.7547 -0.1540 0.2899 C.2 1 UNL111 -0.1761 9 C -2.0045 -0.4325 -0.4573 C.3 1 UNL111 -0.1484 10 H -1.8653 -0.3063 -1.5457 H 1 UNL111 0.1418 11 C -3.2906 0.3257 0.0586 C.3 1 UNL111 0.1034 12 C -3.0758 1.2129 1.2718 C.3 1 UNL111 -0.4608 13 C -4.0036 1.0863 -1.0488 C.3 1 UNL111 -0.4666 14 C -3.9465 -1.0523 0.3924 C.3 1 UNL111 -0.3109 15 C -2.6812 -1.7909 -0.1031 C.3 1 UNL111 -0.2826 16 H 6.0361 -0.2137 1.1365 H 1 UNL111 0.1373 17 H 5.1347 -1.4238 0.2199 H 1 UNL111 0.1436 18 H 5.5952 0.1028 -0.5446 H 1 UNL111 0.1422 19 H 3.6610 -0.1481 1.8462 H 1 UNL111 0.1347 20 H 4.0967 1.3654 1.0447 H 1 UNL111 0.1335 21 H 3.9214 0.2623 -1.9580 H 1 UNL111 0.1447 22 H 2.2225 0.6829 -2.1582 H 1 UNL111 0.1461 23 H 3.3231 1.8129 -1.3586 H 1 UNL111 0.1418 24 H 2.2267 -1.8786 0.6349 H 1 UNL111 0.1439 25 H 1.5766 -1.5305 -0.9690 H 1 UNL111 0.1521 26 H 3.2886 -1.9112 -0.7802 H 1 UNL111 0.1417 27 H 1.4267 0.4860 1.5769 H 1 UNL111 0.1427 28 H 1.7064 1.9029 0.5625 H 1 UNL111 0.1459 29 H 0.2257 0.9510 -1.2392 H 1 UNL111 0.1428 30 H -0.7143 -0.5584 1.2999 H 1 UNL111 0.1462 31 H -2.4058 2.0492 1.0364 H 1 UNL111 0.1520 32 H -4.0223 1.6331 1.6297 H 1 UNL111 0.1444 33 H -2.6252 0.6623 2.1057 H 1 UNL111 0.1485 34 H -4.1760 0.4583 -1.9302 H 1 UNL111 0.1464 35 H -4.9805 1.4528 -0.7131 H 1 UNL111 0.1471 36 H -3.4177 1.9546 -1.3720 H 1 UNL111 0.1489 37 H -4.1716 -1.1982 1.4503 H 1 UNL111 0.1400 38 H -4.8528 -1.2702 -0.1748 H 1 UNL111 0.1390 39 H -2.8414 -2.4445 -0.9626 H 1 UNL111 0.1366 40 H -2.1637 -2.3667 0.6673 H 1 UNL111 0.1403 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 7 29 1 30 8 30 1 31 12 31 1 32 12 32 1 33 12 33 1 34 13 34 1 35 13 35 1 36 13 36 1 37 14 37 1 38 14 38 1 39 15 39 1 40 15 40 1