@MOLECULE [2-[(1S,2R)-2-methylcyclobutyl]acetyl] hexanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 7.3487 1.1167 -0.1210 C.3 1 UNL11111111 -0.4433 2 C 6.2257 0.0862 -0.0090 C.3 1 UNL11111111 -0.2481 3 C 4.8522 0.7532 -0.1639 C.3 1 UNL11111111 -0.2704 4 C 3.7314 -0.2777 0.0075 C.3 1 UNL11111111 -0.2588 5 C 2.3607 0.3828 -0.1638 C.3 1 UNL11111111 -0.3505 6 C 1.2746 -0.6112 0.1207 C.2 1 UNL11111111 0.6338 7 O 1.3623 -1.7709 0.3833 O.2 1 UNL11111111 -0.4234 8 O 0.0752 0.0636 0.0533 O.3 1 UNL11111111 -0.5645 9 C -1.1653 -0.5266 0.1896 C.2 1 UNL11111111 0.6339 10 O -1.3213 -1.7039 0.2852 O.2 1 UNL11111111 -0.4144 11 C -2.1782 0.5783 0.1740 C.3 1 UNL11111111 -0.3632 12 C -3.5869 0.0108 0.1891 C.3 1 UNL11111111 -0.1124 13 H -3.7239 -0.6765 1.0432 H 1 UNL11111111 0.1557 14 C -4.7094 1.0976 0.0896 C.3 1 UNL11111111 -0.0958 15 H -4.3121 2.1125 -0.0753 H 1 UNL11111111 0.1314 16 C -5.6961 1.0891 1.2383 C.3 1 UNL11111111 -0.4530 17 C -5.2185 0.4364 -1.2257 C.3 1 UNL11111111 -0.2943 18 C -4.0756 -0.6059 -1.1528 C.3 1 UNL11111111 -0.2788 19 H 7.2733 1.8804 0.6610 H 1 UNL11111111 0.1422 20 H 8.3324 0.6434 -0.0232 H 1 UNL11111111 0.1427 21 H 7.3273 1.6315 -1.0876 H 1 UNL11111111 0.1420 22 H 6.3547 -0.6991 -0.7781 H 1 UNL11111111 0.1367 23 H 6.2880 -0.4333 0.9663 H 1 UNL11111111 0.1374 24 H 4.7429 1.5642 0.5804 H 1 UNL11111111 0.1367 25 H 4.7804 1.2389 -1.1547 H 1 UNL11111111 0.1366 26 H 3.8505 -1.1039 -0.7219 H 1 UNL11111111 0.1537 27 H 3.8024 -0.7583 1.0045 H 1 UNL11111111 0.1546 28 H 2.2558 1.2610 0.5091 H 1 UNL11111111 0.1788 29 H 2.2410 0.7889 -1.1909 H 1 UNL11111111 0.1783 30 H -2.0186 1.2437 1.0515 H 1 UNL11111111 0.1813 31 H -2.0159 1.2294 -0.7130 H 1 UNL11111111 0.1829 32 H -5.2299 1.4346 2.1689 H 1 UNL11111111 0.1464 33 H -6.5507 1.7455 1.0340 H 1 UNL11111111 0.1454 34 H -6.0970 0.0852 1.4266 H 1 UNL11111111 0.1514 35 H -6.2222 0.0113 -1.1585 H 1 UNL11111111 0.1422 36 H -5.1879 1.0884 -2.1000 H 1 UNL11111111 0.1359 37 H -3.3555 -0.5532 -1.9716 H 1 UNL11111111 0.1416 38 H -4.4072 -1.6447 -1.0700 H 1 UNL11111111 0.1490 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 14 15 1 15 14 16 1 16 14 17 1 17 17 18 1 18 12 18 1 19 1 19 1 20 1 20 1 21 1 21 1 22 2 22 1 23 2 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 11 30 1 31 11 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