@MOLECULE (1S,2S)-1-methyl-2-[(E)-4-methylpent-1-enyl]cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2024 -0.1239 -0.3344 C.3 1 UNL111 -0.0479 2 C -4.5560 -0.5311 0.2593 C.3 1 UNL111 -0.4598 3 C -3.0724 1.4031 -0.3589 C.3 1 UNL111 -0.4543 4 C -2.0566 -0.7464 0.4928 C.3 1 UNL111 -0.2973 5 C -0.7495 -0.5812 -0.2112 C.2 1 UNL111 -0.1520 6 C 0.2939 0.0544 0.3299 C.2 1 UNL111 -0.1865 7 C 1.5921 0.1983 -0.3734 C.3 1 UNL111 -0.1335 8 H 1.5213 -0.0663 -1.4422 H 1 UNL111 0.1425 9 C 2.7777 -0.5335 0.3504 C.3 1 UNL111 -0.0870 10 H 2.4726 -0.9775 1.3128 H 1 UNL111 0.1366 11 C 3.5040 -1.5506 -0.5044 C.3 1 UNL111 -0.4535 12 C 3.5046 0.8322 0.5230 C.3 1 UNL111 -0.2950 13 C 2.3139 1.5616 -0.1478 C.3 1 UNL111 -0.2817 14 H -3.1395 -0.5079 -1.3810 H 1 UNL111 0.1290 15 H -5.3841 -0.0928 -0.3082 H 1 UNL111 0.1438 16 H -4.6881 -1.6178 0.2470 H 1 UNL111 0.1410 17 H -4.6565 -0.1957 1.2967 H 1 UNL111 0.1448 18 H -2.0842 1.7074 -0.7256 H 1 UNL111 0.1510 19 H -3.8244 1.8571 -1.0115 H 1 UNL111 0.1393 20 H -3.1959 1.8341 0.6399 H 1 UNL111 0.1435 21 H -2.0385 -0.2943 1.5033 H 1 UNL111 0.1458 22 H -2.2540 -1.8258 0.6569 H 1 UNL111 0.1467 23 H -0.7068 -1.0179 -1.2073 H 1 UNL111 0.1424 24 H 0.2515 0.4926 1.3251 H 1 UNL111 0.1472 25 H 3.8365 -1.1230 -1.4572 H 1 UNL111 0.1468 26 H 4.3925 -1.9380 0.0081 H 1 UNL111 0.1458 27 H 2.8570 -2.4054 -0.7364 H 1 UNL111 0.1476 28 H 3.6864 1.1168 1.5608 H 1 UNL111 0.1366 29 H 4.4483 0.9139 -0.0196 H 1 UNL111 0.1398 30 H 2.5640 2.0903 -1.0691 H 1 UNL111 0.1373 31 H 1.7793 2.2542 0.5053 H 1 UNL111 0.1409 @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