@MOLECULE (2S)-2-[(E)-4,4-dimethylhex-1-enyl]-1,1-dimethyl-cyclobutane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0083 0.6380 -0.5285 C.3 1 UNL111 -0.4340 2 C 3.8779 -0.3742 -0.7120 C.3 1 UNL111 -0.2816 3 C 2.6145 -0.0696 0.1330 C.3 1 UNL111 0.1215 4 C 2.9643 -0.0766 1.6279 C.3 1 UNL111 -0.4637 5 C 2.0202 1.2891 -0.2605 C.3 1 UNL111 -0.4608 6 C 1.5848 -1.1932 -0.1743 C.3 1 UNL111 -0.3117 7 C 0.2518 -0.9440 0.4514 C.2 1 UNL111 -0.1513 8 C -0.8910 -0.9760 -0.2420 C.2 1 UNL111 -0.1787 9 C -2.2093 -0.7207 0.3867 C.3 1 UNL111 -0.1479 10 H -2.1684 -0.8528 1.4831 H 1 UNL111 0.1417 11 C -2.8945 0.6476 -0.0081 C.3 1 UNL111 0.1030 12 C -3.2594 1.4880 1.2056 C.3 1 UNL111 -0.4659 13 C -2.1417 1.4765 -1.0337 C.3 1 UNL111 -0.4604 14 C -4.0970 -0.1495 -0.6069 C.3 1 UNL111 -0.3104 15 C -3.4072 -1.4871 -0.2489 C.3 1 UNL111 -0.2834 16 H 5.8786 0.3662 -1.1362 H 1 UNL111 0.1374 17 H 4.7003 1.6453 -0.8289 H 1 UNL111 0.1430 18 H 5.3409 0.6899 0.5137 H 1 UNL111 0.1425 19 H 3.5978 -0.4146 -1.7823 H 1 UNL111 0.1348 20 H 4.2488 -1.3853 -0.4569 H 1 UNL111 0.1335 21 H 3.6579 0.7326 1.8794 H 1 UNL111 0.1446 22 H 2.0734 0.0602 2.2496 H 1 UNL111 0.1456 23 H 3.4352 -1.0196 1.9228 H 1 UNL111 0.1421 24 H 1.7750 1.3216 -1.3267 H 1 UNL111 0.1439 25 H 1.0973 1.4932 0.2948 H 1 UNL111 0.1490 26 H 2.7154 2.1077 -0.0520 H 1 UNL111 0.1430 27 H 1.4890 -1.3052 -1.2727 H 1 UNL111 0.1435 28 H 1.9819 -2.1636 0.1897 H 1 UNL111 0.1485 29 H 0.2725 -0.7402 1.5203 H 1 UNL111 0.1438 30 H -0.9127 -1.1820 -1.3101 H 1 UNL111 0.1461 31 H -2.3630 1.8977 1.6863 H 1 UNL111 0.1490 32 H -3.9006 2.3319 0.9265 H 1 UNL111 0.1470 33 H -3.7996 0.9037 1.9591 H 1 UNL111 0.1460 34 H -1.9427 0.9091 -1.9504 H 1 UNL111 0.1484 35 H -2.7084 2.3705 -1.3167 H 1 UNL111 0.1450 36 H -1.1715 1.8047 -0.6400 H 1 UNL111 0.1519 37 H -5.0480 0.0216 -0.0997 H 1 UNL111 0.1389 38 H -4.2539 0.0076 -1.6755 H 1 UNL111 0.1400 39 H -3.1434 -2.1046 -1.1102 H 1 UNL111 0.1399 40 H -3.9611 -2.1119 0.4541 H 1 UNL111 0.1362 @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