@MOLECULE 5,5-dimethylhexanoyl (1R,2S)-2-methylcyclobutanecarboxylate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2355 -0.9682 0.6845 C.3 1 UNL11111111 -0.0572 2 H 4.3020 -1.4458 1.6780 H 1 UNL11111111 0.1380 3 C 3.6136 -1.9113 -0.3212 C.3 1 UNL11111111 -0.4668 4 C 5.5775 -0.3180 0.2341 C.3 1 UNL11111111 -0.2917 5 C 4.9339 1.0885 0.3156 C.3 1 UNL11111111 -0.2619 6 C 3.5906 0.4608 0.7760 C.3 1 UNL11111111 -0.2319 7 H 3.2955 0.7331 1.8060 H 1 UNL11111111 0.1733 8 C 2.4678 0.6807 -0.1779 C.2 1 UNL11111111 0.6444 9 O 2.4793 1.1197 -1.2887 O.2 1 UNL11111111 -0.4369 10 O 1.2829 0.3656 0.4589 O.3 1 UNL11111111 -0.5628 11 C 0.1406 0.0206 -0.2322 C.2 1 UNL11111111 0.6425 12 O 0.1846 -0.4446 -1.3313 O.2 1 UNL11111111 -0.4395 13 C -1.0365 0.2506 0.6624 C.3 1 UNL11111111 -0.3495 14 C -2.3347 -0.0455 -0.0949 C.3 1 UNL11111111 -0.2525 15 C -3.5407 0.1083 0.8360 C.3 1 UNL11111111 -0.2982 16 C -4.9006 -0.0477 0.1140 C.3 1 UNL11111111 0.1321 17 C -4.9849 -1.3988 -0.6106 C.3 1 UNL11111111 -0.4667 18 C -6.0120 0.0182 1.1795 C.3 1 UNL11111111 -0.4742 19 C -5.1104 1.0925 -0.8936 C.3 1 UNL11111111 -0.4663 20 H 4.1818 -2.8466 -0.3943 H 1 UNL11111111 0.1533 21 H 2.5827 -2.1730 -0.0475 H 1 UNL11111111 0.1572 22 H 3.5758 -1.4788 -1.3319 H 1 UNL11111111 0.1665 23 H 6.4111 -0.4814 0.9192 H 1 UNL11111111 0.1393 24 H 5.9041 -0.6056 -0.7691 H 1 UNL11111111 0.1514 25 H 5.3888 1.7617 1.0458 H 1 UNL11111111 0.1428 26 H 4.8807 1.6153 -0.6457 H 1 UNL11111111 0.1640 27 H -0.9489 -0.3874 1.5684 H 1 UNL11111111 0.1793 28 H -1.0282 1.2953 1.0417 H 1 UNL11111111 0.1801 29 H -2.4270 0.6314 -0.9675 H 1 UNL11111111 0.1542 30 H -2.3019 -1.0691 -0.5201 H 1 UNL11111111 0.1556 31 H -3.4770 -0.6380 1.6505 H 1 UNL11111111 0.1370 32 H -3.5100 1.0983 1.3298 H 1 UNL11111111 0.1383 33 H -4.7483 -2.2294 0.0620 H 1 UNL11111111 0.1436 34 H -5.9905 -1.5725 -1.0082 H 1 UNL11111111 0.1438 35 H -4.2903 -1.4471 -1.4569 H 1 UNL11111111 0.1504 36 H -5.9760 0.9584 1.7383 H 1 UNL11111111 0.1428 37 H -7.0042 -0.0519 0.7220 H 1 UNL11111111 0.1465 38 H -5.9256 -0.8015 1.8993 H 1 UNL11111111 0.1431 39 H -4.3689 1.0621 -1.6994 H 1 UNL11111111 0.1495 40 H -6.0989 1.0302 -1.3609 H 1 UNL11111111 0.1438 41 H -5.0352 2.0720 -0.4111 H 1 UNL11111111 0.1433 @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 15 16 1 17 16 17 1 18 16 18 1 19 16 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 17 33 1 34 17 34 1 35 17 35 1 36 18 36 1 37 18 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 19 41 1