@MOLECULE (2-cyclohexylacetyl) (1S,2S)-2-methylcyclobutanecarboxylate 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5011 0.5322 0.0837 C.3 1 UNL111 -0.0666 2 H 4.3082 1.3637 -0.6219 H 1 UNL111 0.1591 3 C 5.3892 0.9858 1.2216 C.3 1 UNL111 -0.4547 4 C 4.9552 -0.7740 -0.6333 C.3 1 UNL111 -0.2937 5 C 3.6360 -1.4708 -0.2152 C.3 1 UNL111 -0.2552 6 C 3.1874 -0.1865 0.5368 C.3 1 UNL111 -0.2292 7 H 3.1028 -0.3222 1.6303 H 1 UNL111 0.1769 8 C 1.9472 0.4273 -0.0155 C.2 1 UNL111 0.6342 9 O 1.7997 1.4610 -0.5955 O.2 1 UNL111 -0.4322 10 O 0.8729 -0.3735 0.3191 O.3 1 UNL111 -0.5561 11 C -0.2848 -0.4010 -0.4294 C.2 1 UNL111 0.6449 12 O -0.2957 -0.0773 -1.5789 O.2 1 UNL111 -0.4395 13 C -1.3798 -0.9758 0.4116 C.3 1 UNL111 -0.3743 14 C -2.7488 -0.4777 -0.0852 C.3 1 UNL111 -0.0777 15 C -3.8686 -1.2774 0.6024 C.3 1 UNL111 -0.2779 16 C -5.2405 -0.7891 0.1179 C.3 1 UNL111 -0.2615 17 C -5.4086 0.7099 0.3973 C.3 1 UNL111 -0.2660 18 C -4.2849 1.5102 -0.2739 C.3 1 UNL111 -0.2575 19 C -2.9124 1.0234 0.2073 C.3 1 UNL111 -0.2814 20 H 6.3551 1.3493 0.8470 H 1 UNL111 0.1517 21 H 4.9279 1.8077 1.7848 H 1 UNL111 0.1525 22 H 5.6000 0.1777 1.9321 H 1 UNL111 0.1468 23 H 5.0919 -0.6691 -1.7125 H 1 UNL111 0.1467 24 H 5.8589 -1.2280 -0.2218 H 1 UNL111 0.1438 25 H 2.9899 -1.7614 -1.0496 H 1 UNL111 0.1521 26 H 3.7622 -2.3441 0.4298 H 1 UNL111 0.1454 27 H -1.3258 -2.0851 0.3640 H 1 UNL111 0.1790 28 H -1.2340 -0.7221 1.4830 H 1 UNL111 0.1822 29 H -2.8150 -0.6373 -1.1909 H 1 UNL111 0.1552 30 H -3.7575 -2.3557 0.3900 H 1 UNL111 0.1303 31 H -3.7972 -1.1686 1.7001 H 1 UNL111 0.1376 32 H -5.3518 -0.9856 -0.9650 H 1 UNL111 0.1381 33 H -6.0436 -1.3614 0.6156 H 1 UNL111 0.1274 34 H -6.3926 1.0565 0.0339 H 1 UNL111 0.1285 35 H -5.4038 0.8934 1.4876 H 1 UNL111 0.1343 36 H -4.3553 1.4131 -1.3741 H 1 UNL111 0.1404 37 H -4.4017 2.5875 -0.0558 H 1 UNL111 0.1322 38 H -2.7986 1.2201 1.2886 H 1 UNL111 0.1370 39 H -2.1122 1.5985 -0.2983 H 1 UNL111 0.1474 @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 17 18 1 19 18 19 1 20 14 19 1 21 3 20 1 22 3 21 1 23 3 22 1 24 4 23 1 25 4 24 1 26 5 25 1 27 5 26 1 28 13 27 1 29 13 28 1 30 14 29 1 31 15 30 1 32 15 31 1 33 16 32 1 34 16 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