@MOLECULE (2S)-2-methyl-1-[(1S,2S)-2-methylcyclobutyl]butan-1-one 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.0451 0.2837 0.4532 C.3 1 UNL11111111 -0.4383 2 C 2.7431 0.4950 -0.3159 C.3 1 UNL11111111 -0.2435 3 C 1.5594 -0.2310 0.3425 C.3 1 UNL11111111 -0.1979 4 H 1.5346 0.0242 1.4288 H 1 UNL11111111 0.1524 5 C 1.6575 -1.7495 0.1737 C.3 1 UNL11111111 -0.4369 6 C 0.2592 0.2132 -0.3111 C.2 1 UNL11111111 0.4538 7 O 0.2440 0.7098 -1.4093 O.2 1 UNL11111111 -0.4560 8 C -0.9990 -0.0017 0.4799 C.3 1 UNL11111111 -0.2673 9 H -0.8589 -0.7302 1.2938 H 1 UNL11111111 0.1557 10 C -2.2629 -0.2979 -0.3940 C.3 1 UNL11111111 -0.0638 11 H -2.0467 -0.2307 -1.4776 H 1 UNL11111111 0.1560 12 C -2.9717 -1.5927 -0.0590 C.3 1 UNL11111111 -0.4573 13 C -2.9373 0.9938 0.1549 C.3 1 UNL11111111 -0.2885 14 C -1.6536 1.3267 0.9572 C.3 1 UNL11111111 -0.2572 15 H 3.9646 0.6333 1.4880 H 1 UNL11111111 0.1402 16 H 4.3314 -0.7734 0.4817 H 1 UNL11111111 0.1414 17 H 4.8710 0.8315 -0.0153 H 1 UNL11111111 0.1423 18 H 2.5193 1.5786 -0.3889 H 1 UNL11111111 0.1446 19 H 2.8535 0.1551 -1.3649 H 1 UNL11111111 0.1522 20 H 2.5686 -2.1390 0.6436 H 1 UNL11111111 0.1534 21 H 0.8062 -2.2677 0.6285 H 1 UNL11111111 0.1423 22 H 1.6919 -2.0325 -0.8865 H 1 UNL11111111 0.1559 23 H -3.1845 -1.6808 1.0126 H 1 UNL11111111 0.1462 24 H -3.9300 -1.6660 -0.5889 H 1 UNL11111111 0.1504 25 H -2.3701 -2.4630 -0.3483 H 1 UNL11111111 0.1474 26 H -3.1948 1.7260 -0.6141 H 1 UNL11111111 0.1447 27 H -3.8226 0.8184 0.7687 H 1 UNL11111111 0.1399 28 H -1.7929 1.3949 2.0379 H 1 UNL11111111 0.1389 29 H -1.1385 2.2308 0.6174 H 1 UNL11111111 0.1488 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 5 20 1 21 5 21 1 22 5 22 1 23 12 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1