@MOLECULE (1S,2S)-1-[(E)-4,4-dimethylhex-1-enyl]-2-methyl-cyclobutane 37 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0508 -0.3057 0.1360 C.3 1 UNL11111111 -0.4333 2 C 3.7790 0.1854 0.8265 C.3 1 UNL11111111 -0.2824 3 C 2.5057 0.0867 -0.0511 C.3 1 UNL11111111 0.1229 4 C 2.6544 0.9618 -1.3033 C.3 1 UNL11111111 -0.4641 5 C 2.2444 -1.3692 -0.4598 C.3 1 UNL11111111 -0.4633 6 C 1.3198 0.5969 0.8174 C.3 1 UNL11111111 -0.3127 7 C 0.0297 0.5996 0.0661 C.2 1 UNL11111111 -0.1447 8 C -0.9934 -0.2046 0.3709 C.2 1 UNL11111111 -0.1893 9 C -2.2732 -0.1769 -0.3785 C.3 1 UNL11111111 -0.1331 10 H -2.1639 0.2854 -1.3747 H 1 UNL11111111 0.1425 11 C -3.4595 0.4399 0.4449 C.3 1 UNL11111111 -0.0865 12 H -3.1693 0.6862 1.4800 H 1 UNL11111111 0.1368 13 C -4.1375 1.6197 -0.2195 C.3 1 UNL11111111 -0.4534 14 C -4.2234 -0.9123 0.3406 C.3 1 UNL11111111 -0.2955 15 C -3.0363 -1.5346 -0.4360 C.3 1 UNL11111111 -0.2822 16 H 5.9140 -0.2304 0.8069 H 1 UNL11111111 0.1374 17 H 4.9641 -1.3536 -0.1710 H 1 UNL11111111 0.1437 18 H 5.2799 0.2837 -0.7585 H 1 UNL11111111 0.1421 19 H 3.6236 -0.3951 1.7561 H 1 UNL11111111 0.1344 20 H 3.9189 1.2363 1.1442 H 1 UNL11111111 0.1339 21 H 3.5296 0.6697 -1.8933 H 1 UNL11111111 0.1448 22 H 1.7823 0.8706 -1.9599 H 1 UNL11111111 0.1472 23 H 2.7687 2.0179 -1.0410 H 1 UNL11111111 0.1422 24 H 2.2414 -2.0346 0.4090 H 1 UNL11111111 0.1426 25 H 1.2706 -1.4707 -0.9545 H 1 UNL11111111 0.1529 26 H 3.0048 -1.7341 -1.1568 H 1 UNL11111111 0.1429 27 H 1.2481 -0.0265 1.7305 H 1 UNL11111111 0.1440 28 H 1.5395 1.6237 1.1750 H 1 UNL11111111 0.1460 29 H -0.0232 1.3125 -0.7550 H 1 UNL11111111 0.1433 30 H -0.9466 -0.9143 1.1941 H 1 UNL11111111 0.1476 31 H -4.4519 1.3883 -1.2439 H 1 UNL11111111 0.1467 32 H -5.0316 1.9283 0.3353 H 1 UNL11111111 0.1455 33 H -3.4647 2.4848 -0.2701 H 1 UNL11111111 0.1475 34 H -4.4352 -1.3833 1.3020 H 1 UNL11111111 0.1365 35 H -5.1562 -0.8628 -0.2245 H 1 UNL11111111 0.1396 36 H -3.2783 -1.8669 -1.4471 H 1 UNL11111111 0.1371 37 H -2.5380 -2.3580 0.0797 H 1 UNL11111111 0.1404 @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 13 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1