@MOLECULE [(3R)-3-methylhexanoyl] (1R)-2,2-dimethylcyclobutanecarboxylate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6025 0.8544 -0.1450 C.3 1 UNL1111111111 0.1325 2 C -3.0349 0.8635 -1.5508 C.3 1 UNL1111111111 -0.4793 3 C -3.7655 2.2646 0.3935 C.3 1 UNL1111111111 -0.4679 4 C -4.8753 -0.0375 0.0156 C.3 1 UNL1111111111 -0.3064 5 C -4.1106 -0.9783 0.9775 C.3 1 UNL1111111111 -0.2625 6 C -2.8420 -0.0937 0.8642 C.3 1 UNL1111111111 -0.2481 7 H -2.5652 0.4176 1.8045 H 1 UNL1111111111 0.1767 8 C -1.6688 -0.7944 0.2754 C.2 1 UNL1111111111 0.6451 9 O -1.5922 -1.8785 -0.2214 O.2 1 UNL1111111111 -0.4400 10 O -0.5450 -0.0105 0.4597 O.3 1 UNL1111111111 -0.5601 11 C 0.5569 -0.0996 -0.3628 C.2 1 UNL1111111111 0.6482 12 O 0.4713 -0.5018 -1.4847 O.2 1 UNL1111111111 -0.4456 13 C 1.7361 0.4748 0.3569 C.3 1 UNL1111111111 -0.3676 14 C 3.0411 -0.1688 -0.1541 C.3 1 UNL1111111111 -0.0631 15 H 3.0748 -0.0729 -1.2688 H 1 UNL1111111111 0.1526 16 C 3.0716 -1.6535 0.2165 C.3 1 UNL1111111111 -0.4586 17 C 4.2396 0.5829 0.4535 C.3 1 UNL1111111111 -0.2880 18 C 5.5520 0.2181 -0.2534 C.3 1 UNL1111111111 -0.2456 19 C 6.7207 1.0137 0.3287 C.3 1 UNL1111111111 -0.4441 20 H -2.0363 1.3190 -1.5824 H 1 UNL1111111111 0.1592 21 H -2.9371 -0.1497 -1.9668 H 1 UNL1111111111 0.1667 22 H -3.6761 1.4299 -2.2367 H 1 UNL1111111111 0.1547 23 H -4.4292 2.8585 -0.2469 H 1 UNL1111111111 0.1526 24 H -4.1937 2.2738 1.4025 H 1 UNL1111111111 0.1480 25 H -2.8022 2.7879 0.4405 H 1 UNL1111111111 0.1540 26 H -5.7319 0.4725 0.4597 H 1 UNL1111111111 0.1425 27 H -5.2115 -0.5119 -0.9099 H 1 UNL1111111111 0.1501 28 H -4.5259 -1.0406 1.9861 H 1 UNL1111111111 0.1427 29 H -3.9829 -2.0009 0.5999 H 1 UNL1111111111 0.1636 30 H 1.7515 1.5744 0.1979 H 1 UNL1111111111 0.1760 31 H 1.6376 0.3360 1.4544 H 1 UNL1111111111 0.1819 32 H 2.2332 -2.1962 -0.2418 H 1 UNL1111111111 0.1605 33 H 3.9907 -2.1345 -0.1367 H 1 UNL1111111111 0.1490 34 H 3.0154 -1.8073 1.2988 H 1 UNL1111111111 0.1451 35 H 4.0790 1.6752 0.3808 H 1 UNL1111111111 0.1355 36 H 4.3196 0.3608 1.5335 H 1 UNL1111111111 0.1403 37 H 5.7502 -0.8661 -0.1557 H 1 UNL1111111111 0.1370 38 H 5.4656 0.4131 -1.3392 H 1 UNL1111111111 0.1365 39 H 6.8503 0.8123 1.3977 H 1 UNL1111111111 0.1420 40 H 7.6623 0.7576 -0.1698 H 1 UNL1111111111 0.1421 41 H 6.5708 2.0926 0.2118 H 1 UNL1111111111 0.1419 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 14 15 1 16 14 16 1 17 14 17 1 18 17 18 1 19 18 19 1 20 2 20 1 21 2 21 1 22 2 22 1 23 3 23 1 24 3 24 1 25 3 25 1 26 4 26 1 27 4 27 1 28 5 28 1 29 5 29 1 30 13 30 1 31 13 31 1 32 16 32 1 33 16 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 18 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 19 41 1