@MOLECULE 1-[(1R)-2,2-dimethylcyclobutyl]-4,4-dimethyl-pentan-1-one 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5435 0.0802 -1.5073 C.3 1 UNL11111111 -0.4660 2 C -3.1962 0.1747 -0.0135 C.3 1 UNL11111111 0.1303 3 C -3.0728 1.6513 0.3938 C.3 1 UNL11111111 -0.4656 4 C -4.3295 -0.4762 0.8025 C.3 1 UNL11111111 -0.4704 5 C -1.8912 -0.5891 0.2991 C.3 1 UNL11111111 -0.2763 6 C -0.6792 -0.0954 -0.4925 C.3 1 UNL11111111 -0.3848 7 C 0.5597 -0.8710 -0.1150 C.2 1 UNL11111111 0.4780 8 O 0.5173 -1.8270 0.6183 O.2 1 UNL11111111 -0.4616 9 C 1.8421 -0.3801 -0.7221 C.3 1 UNL11111111 -0.2791 10 H 1.6874 -0.0740 -1.7700 H 1 UNL11111111 0.1561 11 C 2.5902 0.7209 0.1232 C.3 1 UNL11111111 0.1230 12 C 2.8518 1.9930 -0.6654 C.3 1 UNL11111111 -0.4684 13 C 1.9630 1.0306 1.4709 C.3 1 UNL11111111 -0.4753 14 C 3.8263 -0.2293 0.2261 C.3 1 UNL11111111 -0.3077 15 C 3.0580 -1.3272 -0.5472 C.3 1 UNL11111111 -0.2596 16 H -2.8225 0.6220 -2.1266 H 1 UNL11111111 0.1411 17 H -3.5608 -0.9608 -1.8464 H 1 UNL11111111 0.1460 18 H -4.5304 0.5089 -1.7112 H 1 UNL11111111 0.1421 19 H -4.0217 2.1797 0.2542 H 1 UNL11111111 0.1424 20 H -2.7931 1.7513 1.4476 H 1 UNL11111111 0.1452 21 H -2.3194 2.1743 -0.2026 H 1 UNL11111111 0.1406 22 H -4.4618 -1.5291 0.5327 H 1 UNL11111111 0.1462 23 H -4.1239 -0.4332 1.8769 H 1 UNL11111111 0.1459 24 H -5.2847 0.0291 0.6305 H 1 UNL11111111 0.1429 25 H -1.6745 -0.5242 1.3840 H 1 UNL11111111 0.1499 26 H -2.0376 -1.6712 0.1043 H 1 UNL11111111 0.1543 27 H -0.8605 -0.2014 -1.5810 H 1 UNL11111111 0.1660 28 H -0.5118 0.9860 -0.3194 H 1 UNL11111111 0.1645 29 H 1.9269 2.5534 -0.8431 H 1 UNL11111111 0.1478 30 H 3.5393 2.6562 -0.1261 H 1 UNL11111111 0.1513 31 H 3.3039 1.7842 -1.6421 H 1 UNL11111111 0.1485 32 H 1.7282 0.1125 2.0292 H 1 UNL11111111 0.1655 33 H 2.6437 1.6211 2.0959 H 1 UNL11111111 0.1520 34 H 1.0332 1.6009 1.3704 H 1 UNL11111111 0.1482 35 H 4.7226 0.1389 -0.2753 H 1 UNL11111111 0.1400 36 H 4.1006 -0.5029 1.2475 H 1 UNL11111111 0.1464 37 H 2.8376 -2.2236 0.0473 H 1 UNL11111111 0.1641 38 H 3.5226 -1.6452 -1.4822 H 1 UNL11111111 0.1363 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 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 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1