@MOLECULE isobutyl (1R)-2,2-dimethylcyclobutanecarboxylate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3700 0.6656 -0.0969 C.3 1 UNL11111111 0.1305 2 C -2.0509 0.8675 -1.5661 C.3 1 UNL11111111 -0.4776 3 C -2.6108 1.9925 0.6015 C.3 1 UNL11111111 -0.4678 4 C -3.4847 -0.3985 0.1619 C.3 1 UNL11111111 -0.3064 5 C -2.4620 -1.3134 0.8776 C.3 1 UNL11111111 -0.2598 6 C -1.3482 -0.2514 0.6817 C.3 1 UNL11111111 -0.2459 7 H -1.0022 0.2098 1.6253 H 1 UNL11111111 0.1735 8 C -0.1935 -0.7320 -0.1296 C.2 1 UNL11111111 0.6097 9 O -0.1500 -1.6539 -0.9046 O.2 1 UNL11111111 -0.5203 10 O 0.8934 0.0365 0.1343 O.3 1 UNL11111111 -0.4401 11 C 2.1013 -0.3032 -0.5583 C.3 1 UNL11111111 -0.0308 12 C 3.1818 0.5424 0.1322 C.3 1 UNL11111111 -0.0817 13 C 3.4710 -0.0046 1.5321 C.3 1 UNL11111111 -0.4479 14 C 4.4478 0.5309 -0.7284 C.3 1 UNL11111111 -0.4559 15 H -1.1545 1.4845 -1.7046 H 1 UNL11111111 0.1547 16 H -1.8731 -0.0876 -2.0817 H 1 UNL11111111 0.1665 17 H -2.8773 1.3655 -2.0867 H 1 UNL11111111 0.1522 18 H -3.4557 2.5284 0.1523 H 1 UNL11111111 0.1512 19 H -2.8364 1.8639 1.6665 H 1 UNL11111111 0.1488 20 H -1.7321 2.6458 0.5300 H 1 UNL11111111 0.1545 21 H -4.3042 -0.0495 0.7930 H 1 UNL11111111 0.1422 22 H -3.9181 -0.8264 -0.7452 H 1 UNL11111111 0.1482 23 H -2.6930 -1.5344 1.9218 H 1 UNL11111111 0.1414 24 H -2.2723 -2.2625 0.3601 H 1 UNL11111111 0.1626 25 H 2.2839 -1.3877 -0.4702 H 1 UNL11111111 0.1414 26 H 1.9652 -0.0401 -1.6205 H 1 UNL11111111 0.1307 27 H 2.8042 1.5912 0.2258 H 1 UNL11111111 0.1464 28 H 3.9101 -1.0070 1.4947 H 1 UNL11111111 0.1439 29 H 4.1671 0.6413 2.0769 H 1 UNL11111111 0.1408 30 H 2.5488 -0.0699 2.1237 H 1 UNL11111111 0.1540 31 H 4.2743 0.9866 -1.7093 H 1 UNL11111111 0.1446 32 H 5.2559 1.0928 -0.2458 H 1 UNL11111111 0.1481 33 H 4.8157 -0.4882 -0.8938 H 1 UNL11111111 0.1481 @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 1 13 12 13 1 14 12 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 14 33 1