@MOLECULE 1-methyl-1-[(E,3R)-3-methylpent-1-enyl]cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1690 -1.2029 0.0447 C.3 1 UNL111 -0.4376 2 C 2.9092 -0.6530 -0.6223 C.3 1 UNL111 -0.2579 3 C 2.0603 0.1807 0.3600 C.3 1 UNL111 -0.0916 4 H 1.9712 -0.3838 1.3207 H 1 UNL111 0.1381 5 C 2.7039 1.5434 0.6508 C.3 1 UNL111 -0.4439 6 C 0.7043 0.4072 -0.2447 C.2 1 UNL111 -0.1698 7 C -0.4188 -0.0274 0.3314 C.2 1 UNL111 -0.1950 8 C -1.7930 0.1654 -0.2098 C.3 1 UNL111 0.0763 9 C -1.8799 1.1078 -1.3972 C.3 1 UNL111 -0.4580 10 C -2.5267 -1.2008 -0.4479 C.3 1 UNL111 -0.2935 11 C -3.5423 -0.8574 0.6702 C.3 1 UNL111 -0.2756 12 C -2.8341 0.4980 0.9161 C.3 1 UNL111 -0.2962 13 H 4.8135 -0.3971 0.4132 H 1 UNL111 0.1424 14 H 3.9233 -1.8454 0.8975 H 1 UNL111 0.1420 15 H 4.7595 -1.8006 -0.6587 H 1 UNL111 0.1392 16 H 3.1789 -0.0414 -1.5026 H 1 UNL111 0.1358 17 H 2.2988 -1.4915 -1.0119 H 1 UNL111 0.1386 18 H 2.0581 2.1514 1.2950 H 1 UNL111 0.1456 19 H 3.6657 1.4267 1.1602 H 1 UNL111 0.1426 20 H 2.8812 2.1110 -0.2687 H 1 UNL111 0.1435 21 H 0.7124 0.9571 -1.1825 H 1 UNL111 0.1474 22 H -0.3899 -0.5817 1.2717 H 1 UNL111 0.1469 23 H -1.3100 0.7267 -2.2530 H 1 UNL111 0.1487 24 H -2.9164 1.2401 -1.7299 H 1 UNL111 0.1477 25 H -1.4871 2.1004 -1.1451 H 1 UNL111 0.1499 26 H -2.9612 -1.3052 -1.4433 H 1 UNL111 0.1400 27 H -1.9126 -2.0818 -0.2530 H 1 UNL111 0.1417 28 H -4.5768 -0.7723 0.3312 H 1 UNL111 0.1357 29 H -3.5215 -1.5390 1.5235 H 1 UNL111 0.1365 30 H -2.4013 0.6139 1.9113 H 1 UNL111 0.1404 31 H -3.4471 1.3770 0.7125 H 1 UNL111 0.1402 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 7 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 11 12 1 12 8 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 5 18 1 19 5 19 1 20 5 20 1 21 6 21 1 22 7 22 1 23 9 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1