@MOLECULE [2-[(1R,2S)-2-methylcyclobutyl]acetyl] cyclohexanecarboxylate 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9219 -1.2763 0.4856 C.3 1 UNL11111111 -0.3087 2 C -4.2337 -1.8496 -0.0634 C.3 1 UNL11111111 -0.5158 3 C -5.3599 -0.8123 0.0402 C.3 1 UNL11111111 -0.3022 4 C -4.9846 0.4699 -0.7144 C.3 1 UNL11111111 -0.2822 5 C -3.6737 1.0519 -0.1733 C.3 1 UNL11111111 -0.4144 6 C -2.5537 0.0060 -0.2798 C.3 1 UNL11111111 0.0028 7 C -1.2982 0.5744 0.3280 C.2 1 UNL11111111 0.1842 8 O -1.1654 1.2702 1.2888 O.2 1 UNL11111111 -0.2365 9 O -0.2141 0.0800 -0.3649 O.3 1 UNL11111111 -0.2969 10 C 1.0170 0.7039 -0.3618 C.2 1 UNL11111111 0.4605 11 O 1.1213 1.8818 -0.1992 O.2 1 UNL11111111 -0.3331 12 C 2.0660 -0.3127 -0.6889 C.3 1 UNL11111111 -0.7810 13 C 3.4130 0.1442 -0.1545 C.3 1 UNL11111111 0.1753 14 H 3.6363 1.1753 -0.4858 H 1 UNL11111111 0.1248 15 C 4.5861 -0.8529 -0.4339 C.3 1 UNL11111111 0.1021 16 H 4.2494 -1.7969 -0.8932 H 1 UNL11111111 0.1245 17 C 5.7413 -0.2592 -1.2126 C.3 1 UNL11111111 -0.9414 18 C 4.8221 -0.9883 1.0999 C.3 1 UNL11111111 -0.5727 19 C 3.6226 -0.0482 1.3749 C.3 1 UNL11111111 -0.3893 20 H -3.0271 -1.0603 1.5671 H 1 UNL11111111 0.2271 21 H -2.1097 -2.0221 0.3949 H 1 UNL11111111 0.1554 22 H -4.1017 -2.1621 -1.1162 H 1 UNL11111111 0.2304 23 H -4.5078 -2.7650 0.4925 H 1 UNL11111111 0.1973 24 H -6.2994 -1.2300 -0.3633 H 1 UNL11111111 0.1473 25 H -5.5609 -0.5793 1.1030 H 1 UNL11111111 0.1868 26 H -4.8903 0.2589 -1.7960 H 1 UNL11111111 0.1731 27 H -5.7953 1.2161 -0.6203 H 1 UNL11111111 0.1415 28 H -3.4007 1.9681 -0.7299 H 1 UNL11111111 0.1657 29 H -3.8020 1.3669 0.8824 H 1 UNL11111111 0.2070 30 H -2.3788 -0.2459 -1.3563 H 1 UNL11111111 0.1854 31 H 1.7892 -1.3102 -0.2833 H 1 UNL11111111 0.3003 32 H 2.1109 -0.4498 -1.7924 H 1 UNL11111111 0.2716 33 H 6.0937 0.6810 -0.7699 H 1 UNL11111111 0.2758 34 H 6.5965 -0.9451 -1.2399 H 1 UNL11111111 0.2677 35 H 5.4566 -0.0448 -2.2498 H 1 UNL11111111 0.2454 36 H 4.7067 -2.0020 1.4868 H 1 UNL11111111 0.2029 37 H 5.7847 -0.6047 1.4446 H 1 UNL11111111 0.2348 38 H 3.8742 0.8715 1.9099 H 1 UNL11111111 0.1767 39 H 2.7867 -0.5183 1.8976 H 1 UNL11111111 0.2078 @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 17 33 1 35 17 34 1 36 17 35 1 37 18 36 1 38 18 37 1 39 19 38 1 40 19 39 1