@MOLECULE [(1S,2R)-2-methylcyclobutyl] 2,2-dimethylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1645 -0.3248 -0.2479 C.3 1 UNL1111111 -0.4405 2 C 3.9002 0.3730 0.2561 C.3 1 UNL1111111 -0.2425 3 C 2.6514 -0.3653 -0.2368 C.3 1 UNL1111111 -0.2852 4 C 1.3327 0.2927 0.2145 C.3 1 UNL1111111 0.0345 5 C 1.2007 0.3132 1.7403 C.3 1 UNL1111111 -0.4541 6 C 1.1744 1.7008 -0.3657 C.3 1 UNL1111111 -0.4539 7 C 0.1981 -0.5708 -0.3308 C.2 1 UNL1111111 0.5786 8 O 0.2899 -1.5953 -0.9547 O.2 1 UNL1111111 -0.5165 9 O -0.9950 -0.0127 -0.0092 O.3 1 UNL1111111 -0.4303 10 C -2.1763 -0.6864 -0.3971 C.3 1 UNL1111111 0.1107 11 H -1.9951 -1.3975 -1.2129 H 1 UNL1111111 0.1490 12 C -3.3062 0.3699 -0.6280 C.3 1 UNL1111111 -0.1175 13 H -3.8541 0.1883 -1.5683 H 1 UNL1111111 0.1380 14 C -2.8721 1.8155 -0.5270 C.3 1 UNL1111111 -0.4374 15 C -4.0494 -0.1881 0.6247 C.3 1 UNL1111111 -0.2870 16 C -2.9190 -1.2239 0.8532 C.3 1 UNL1111111 -0.3199 17 H 6.0668 0.1865 0.1034 H 1 UNL1111111 0.1381 18 H 5.2164 -1.3625 0.1015 H 1 UNL1111111 0.1451 19 H 5.2021 -0.3448 -1.3430 H 1 UNL1111111 0.1446 20 H 3.9104 0.4143 1.3614 H 1 UNL1111111 0.1339 21 H 3.8881 1.4235 -0.0899 H 1 UNL1111111 0.1338 22 H 2.6683 -0.4342 -1.3436 H 1 UNL1111111 0.1539 23 H 2.6767 -1.4176 0.1137 H 1 UNL1111111 0.1557 24 H 1.9410 0.9818 2.1945 H 1 UNL1111111 0.1552 25 H 0.2088 0.6680 2.0515 H 1 UNL1111111 0.1604 26 H 1.3471 -0.6836 2.1727 H 1 UNL1111111 0.1533 27 H 1.3004 1.7069 -1.4547 H 1 UNL1111111 0.1526 28 H 0.1809 2.1155 -0.1452 H 1 UNL1111111 0.1611 29 H 1.9139 2.3912 0.0559 H 1 UNL1111111 0.1544 30 H -2.1966 2.0841 -1.3493 H 1 UNL1111111 0.1490 31 H -3.7322 2.4937 -0.5596 H 1 UNL1111111 0.1428 32 H -2.3284 2.0115 0.4072 H 1 UNL1111111 0.1552 33 H -4.1676 0.5351 1.4348 H 1 UNL1111111 0.1443 34 H -5.0283 -0.6214 0.4118 H 1 UNL1111111 0.1381 35 H -3.2246 -2.2694 0.7885 H 1 UNL1111111 0.1475 36 H -2.3642 -1.0877 1.7861 H 1 UNL1111111 0.1549 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 15 16 1 16 10 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 6 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1