@MOLECULE [2-[(1S)-2,2-dimethylcyclobutyl]acetyl] cyclohexanecarboxylate 42 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9738 -1.0849 0.7109 C.3 1 UNL11111111 -0.2601 2 C -4.1320 -2.0069 0.3107 C.3 1 UNL11111111 -0.2615 3 C -5.4291 -1.2045 0.1414 C.3 1 UNL11111111 -0.2646 4 C -5.2447 -0.0931 -0.9006 C.3 1 UNL11111111 -0.2605 5 C -4.0943 0.8366 -0.4985 C.3 1 UNL11111111 -0.2655 6 C -2.7995 0.0269 -0.3378 C.3 1 UNL11111111 -0.1739 7 C -1.6944 0.9481 0.1190 C.2 1 UNL11111111 0.6127 8 O -1.7733 2.0393 0.5935 O.2 1 UNL11111111 -0.4252 9 O -0.5006 0.2958 -0.0896 O.3 1 UNL11111111 -0.5595 10 C 0.7432 0.8170 0.2058 C.2 1 UNL11111111 0.6314 11 O 0.9097 1.9283 0.6021 O.2 1 UNL11111111 -0.4155 12 C 1.7442 -0.2637 -0.0780 C.3 1 UNL11111111 -0.3558 13 C 3.1441 0.2109 0.2647 C.3 1 UNL11111111 -0.1279 14 H 3.1696 0.6056 1.2983 H 1 UNL11111111 0.1537 15 C 4.3193 -0.8048 -0.0013 C.3 1 UNL11111111 0.0938 16 C 5.1550 -1.0647 1.2427 C.3 1 UNL11111111 -0.4663 17 C 3.9347 -2.1121 -0.6720 C.3 1 UNL11111111 -0.4638 18 C 4.9607 0.2288 -0.9830 C.3 1 UNL11111111 -0.3096 19 C 3.7799 1.2003 -0.7520 C.3 1 UNL11111111 -0.2789 20 H -3.1711 -0.6441 1.7073 H 1 UNL11111111 0.1478 21 H -2.0368 -1.6657 0.8082 H 1 UNL11111111 0.1447 22 H -3.8886 -2.5362 -0.6292 H 1 UNL11111111 0.1362 23 H -4.2691 -2.7943 1.0747 H 1 UNL11111111 0.1329 24 H -6.2540 -1.8751 -0.1598 H 1 UNL11111111 0.1297 25 H -5.7308 -0.7660 1.1115 H 1 UNL11111111 0.1402 26 H -5.0474 -0.5358 -1.8945 H 1 UNL11111111 0.1354 27 H -6.1799 0.4875 -1.0060 H 1 UNL11111111 0.1352 28 H -3.9594 1.6349 -1.2525 H 1 UNL11111111 0.1444 29 H -4.3376 1.3599 0.4484 H 1 UNL11111111 0.1580 30 H -2.5200 -0.4336 -1.3189 H 1 UNL11111111 0.1707 31 H 1.4892 -1.1776 0.5029 H 1 UNL11111111 0.1811 32 H 1.6688 -0.5707 -1.1443 H 1 UNL11111111 0.1829 33 H 4.6008 -1.6578 1.9791 H 1 UNL11111111 0.1479 34 H 6.0723 -1.6134 0.9988 H 1 UNL11111111 0.1466 35 H 5.4582 -0.1317 1.7331 H 1 UNL11111111 0.1512 36 H 3.3645 -1.9504 -1.5937 H 1 UNL11111111 0.1466 37 H 4.8274 -2.6881 -0.9464 H 1 UNL11111111 0.1486 38 H 3.3307 -2.7431 -0.0103 H 1 UNL11111111 0.1461 39 H 5.9320 0.6103 -0.6619 H 1 UNL11111111 0.1412 40 H 5.0648 -0.1254 -2.0098 H 1 UNL11111111 0.1392 41 H 3.1731 1.3983 -1.6382 H 1 UNL11111111 0.1418 42 H 4.0566 2.1660 -0.3193 H 1 UNL11111111 0.1487 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 15 16 1 17 15 17 1 18 15 18 1 19 18 19 1 20 13 19 1 21 1 20 1 22 1 21 1 23 2 22 1 24 2 23 1 25 3 24 1 26 3 25 1 27 4 26 1 28 4 27 1 29 5 28 1 30 5 29 1 31 6 30 1 32 12 31 1 33 12 32 1 34 16 33 1 35 16 34 1 36 16 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 18 39 1 41 18 40 1 42 19 41 1 43 19 42 1