@MOLECULE [(1S,2R)-2-methylcyclobutyl] 4-methylpentanoate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7367 0.2216 -0.4832 C.3 1 UNL11111111 -0.0559 2 C -4.9928 -0.6030 -0.1730 C.3 1 UNL11111111 -0.4568 3 C -3.9461 1.6763 -0.0477 C.3 1 UNL11111111 -0.4547 4 C -2.5276 -0.4066 0.2328 C.3 1 UNL11111111 -0.2704 5 C -1.2099 0.2283 -0.2179 C.3 1 UNL11111111 -0.3485 6 C -0.0507 -0.5826 0.2778 C.2 1 UNL11111111 0.6081 7 O -0.0663 -1.6571 0.8177 O.2 1 UNL11111111 -0.5073 8 O 1.0991 0.0936 0.0163 O.3 1 UNL11111111 -0.4418 9 C 2.3247 -0.5336 0.3427 C.3 1 UNL11111111 0.1160 10 H 2.2075 -1.2348 1.1786 H 1 UNL11111111 0.1462 11 C 3.4285 0.5623 0.5005 C.3 1 UNL11111111 -0.1158 12 H 4.0223 0.4208 1.4199 H 1 UNL11111111 0.1377 13 C 2.9450 1.9908 0.3863 C.3 1 UNL11111111 -0.4370 14 C 4.1350 -0.0021 -0.7707 C.3 1 UNL11111111 -0.2871 15 C 3.0249 -1.0721 -0.9311 C.3 1 UNL11111111 -0.3217 16 H -3.5584 0.1977 -1.5855 H 1 UNL11111111 0.1287 17 H -5.8742 -0.1891 -0.6738 H 1 UNL11111111 0.1418 18 H -4.8838 -1.6410 -0.5062 H 1 UNL11111111 0.1450 19 H -5.2047 -0.6216 0.9017 H 1 UNL11111111 0.1468 20 H -3.0983 2.3084 -0.3304 H 1 UNL11111111 0.1409 21 H -4.8407 2.1036 -0.5135 H 1 UNL11111111 0.1414 22 H -4.0732 1.7566 1.0373 H 1 UNL11111111 0.1463 23 H -2.6398 -0.3151 1.3301 H 1 UNL11111111 0.1502 24 H -2.5027 -1.4993 0.0365 H 1 UNL11111111 0.1590 25 H -1.1616 0.2993 -1.3260 H 1 UNL11111111 0.1767 26 H -1.1289 1.2750 0.1450 H 1 UNL11111111 0.1775 27 H 2.3189 2.2671 1.2442 H 1 UNL11111111 0.1496 28 H 3.7837 2.6943 0.3395 H 1 UNL11111111 0.1420 29 H 2.3334 2.1414 -0.5137 H 1 UNL11111111 0.1570 30 H 4.2002 0.7057 -1.6001 H 1 UNL11111111 0.1448 31 H 5.1333 -0.4045 -0.5896 H 1 UNL11111111 0.1384 32 H 3.3630 -2.1078 -0.8636 H 1 UNL11111111 0.1480 33 H 2.4263 -0.9680 -1.8408 H 1 UNL11111111 0.1550 @BOND 1 1 2 1 2 1 3 1 3 1 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 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 2 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 13 29 1 30 14 30 1 31 14 31 1 32 15 32 1 33 15 33 1