@MOLECULE 2-(3,3-dimethylcyclobutyl)pentan-2-one 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.2263 1.1389 -0.1893 C.3 1 UNL111 -0.3183 2 C -2.5154 0.2561 -0.0976 C.3 1 UNL111 0.1086 3 C -3.6673 0.9335 0.6260 C.3 1 UNL111 -0.4648 4 C -2.9660 -0.3105 -1.4337 C.3 1 UNL111 -0.4653 5 C -1.7327 -0.7615 0.7931 C.3 1 UNL111 -0.3107 6 C -0.4744 0.1454 0.7352 C.3 1 UNL111 -0.1493 7 C 0.8061 -0.4989 0.1615 C.2 1 UNL111 0.1964 8 O 1.2732 -1.3869 1.0715 O.2 1 UNL111 -0.2313 9 C 0.6133 -1.1751 -1.2017 C.3 1 UNL111 -0.4884 10 C 1.9190 0.6048 0.0907 C.3 1 UNL111 -0.2734 11 C 3.3042 0.0097 -0.1721 C.3 1 UNL111 -0.2480 12 C 4.3522 1.1188 -0.2651 C.3 1 UNL111 -0.4400 13 H -0.8197 1.2335 -1.1973 H 1 UNL111 0.1434 14 H -1.3356 2.1433 0.2235 H 1 UNL111 0.1414 15 H -4.0768 1.7614 0.0369 H 1 UNL111 0.1461 16 H -4.4854 0.2289 0.8175 H 1 UNL111 0.1482 17 H -3.3554 1.3425 1.5940 H 1 UNL111 0.1480 18 H -2.1376 -0.7801 -1.9761 H 1 UNL111 0.1481 19 H -3.7446 -1.0702 -1.3005 H 1 UNL111 0.1484 20 H -3.3766 0.4752 -2.0794 H 1 UNL111 0.1468 21 H -2.1402 -0.8961 1.7972 H 1 UNL111 0.1439 22 H -1.6104 -1.7527 0.3523 H 1 UNL111 0.1482 23 H -0.2386 0.5800 1.7240 H 1 UNL111 0.1466 24 H -0.2074 -1.9006 -1.1687 H 1 UNL111 0.1562 25 H 0.3930 -0.4506 -1.9893 H 1 UNL111 0.1489 26 H 1.5141 -1.7299 -1.4893 H 1 UNL111 0.1571 27 H 1.6398 1.3196 -0.7028 H 1 UNL111 0.1485 28 H 1.9279 1.1674 1.0424 H 1 UNL111 0.1493 29 H 3.5721 -0.7007 0.6356 H 1 UNL111 0.1489 30 H 3.3011 -0.5866 -1.1041 H 1 UNL111 0.1391 31 H 5.3561 0.7011 -0.4082 H 1 UNL111 0.1426 32 H 4.1521 1.7916 -1.1063 H 1 UNL111 0.1411 33 H 4.3775 1.7260 0.6470 H 1 UNL111 0.1437 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 7 10 1 11 10 11 1 12 11 12 1 13 1 13 1 14 1 14 1 15 3 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 9 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 12 32 1 33 12 33 1