@MOLECULE (1R,2S)-1-methyl-2-[(E)-4-methylpent-1-enyl]cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.1310 0.0834 -0.2803 C.3 1 UNL111 -0.0472 2 C -4.4646 -0.5226 0.1725 C.3 1 UNL111 -0.4597 3 C -2.9269 1.4593 0.3634 C.3 1 UNL111 -0.4538 4 C -1.9678 -0.8622 0.0928 C.3 1 UNL111 -0.2967 5 C -0.7074 -0.4296 -0.5830 C.2 1 UNL111 -0.1596 6 C 0.3905 -0.0634 0.0856 C.2 1 UNL111 -0.1738 7 C 1.6299 0.3805 -0.5977 C.3 1 UNL111 -0.1342 8 H 1.4587 0.5730 -1.6722 H 1 UNL111 0.1378 9 C 2.9008 -0.5185 -0.3733 C.3 1 UNL111 -0.0851 10 H 3.3745 -0.7901 -1.3326 H 1 UNL111 0.1298 11 C 2.7190 -1.7489 0.4900 C.3 1 UNL111 -0.4486 12 C 3.6119 0.6779 0.3249 C.3 1 UNL111 -0.2955 13 C 2.3620 1.5645 0.1059 C.3 1 UNL111 -0.2820 14 H -3.1520 0.2056 -1.3901 H 1 UNL111 0.1289 15 H -5.3010 0.1448 -0.0619 H 1 UNL111 0.1437 16 H -4.6592 -1.4794 -0.3229 H 1 UNL111 0.1409 17 H -4.4793 -0.6991 1.2530 H 1 UNL111 0.1448 18 H -1.9626 1.8908 0.0673 H 1 UNL111 0.1505 19 H -3.7123 2.1600 0.0642 H 1 UNL111 0.1392 20 H -2.9352 1.3979 1.4564 H 1 UNL111 0.1435 21 H -1.8533 -0.8969 1.1934 H 1 UNL111 0.1451 22 H -2.2148 -1.9002 -0.2112 H 1 UNL111 0.1462 23 H -0.7493 -0.4275 -1.6706 H 1 UNL111 0.1425 24 H 0.4317 -0.0660 1.1732 H 1 UNL111 0.1469 25 H 2.0319 -2.4636 0.0192 H 1 UNL111 0.1500 26 H 3.6744 -2.2603 0.6566 H 1 UNL111 0.1431 27 H 2.3025 -1.5024 1.4738 H 1 UNL111 0.1486 28 H 3.8643 0.5044 1.3729 H 1 UNL111 0.1410 29 H 4.5120 1.0251 -0.1860 H 1 UNL111 0.1355 30 H 2.5240 2.4339 -0.5337 H 1 UNL111 0.1369 31 H 1.8834 1.9072 1.0262 H 1 UNL111 0.1413 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 7 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 6 24 1 25 11 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1