@MOLECULE (2S)-1-[(1S)-2,2-dimethylcyclobutyl]-2-methyl-pentan-1-one 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4268 -0.3772 -0.0462 C.3 1 UNL11111111 0.1284 2 C -2.9560 -1.5694 0.7347 C.3 1 UNL11111111 -0.4697 3 C -2.1678 -0.7421 -1.4955 C.3 1 UNL11111111 -0.4764 4 C -3.2859 0.9176 0.1174 C.3 1 UNL11111111 -0.3058 5 C -2.0865 1.6399 0.7755 C.3 1 UNL11111111 -0.2578 6 C -1.2340 0.3443 0.6934 C.3 1 UNL11111111 -0.2809 7 H -1.0394 -0.0977 1.6847 H 1 UNL11111111 0.1540 8 C 0.0330 0.4887 -0.0979 C.2 1 UNL11111111 0.4654 9 O 0.1201 1.2325 -1.0429 O.2 1 UNL11111111 -0.4609 10 C 1.2252 -0.3387 0.3669 C.3 1 UNL11111111 -0.2009 11 H 1.2539 -0.3468 1.4831 H 1 UNL11111111 0.1506 12 C 1.0386 -1.7678 -0.1465 C.3 1 UNL11111111 -0.4376 13 C 2.5225 0.2929 -0.1595 C.3 1 UNL11111111 -0.2647 14 C 3.7612 -0.3173 0.5064 C.3 1 UNL11111111 -0.2491 15 C 5.0345 0.3610 0.0009 C.3 1 UNL11111111 -0.4407 16 H -2.2463 -2.4045 0.7229 H 1 UNL11111111 0.1468 17 H -3.1528 -1.3181 1.7834 H 1 UNL11111111 0.1480 18 H -3.8979 -1.9336 0.3061 H 1 UNL11111111 0.1520 19 H -3.0875 -1.0736 -1.9912 H 1 UNL11111111 0.1503 20 H -1.7832 0.1167 -2.0673 H 1 UNL11111111 0.1726 21 H -1.4311 -1.5472 -1.5890 H 1 UNL11111111 0.1479 22 H -3.6179 1.3588 -0.8255 H 1 UNL11111111 0.1475 23 H -4.1593 0.8027 0.7613 H 1 UNL11111111 0.1395 24 H -1.6874 2.4702 0.1793 H 1 UNL11111111 0.1600 25 H -2.2641 1.9998 1.7905 H 1 UNL11111111 0.1364 26 H 0.0947 -2.2031 0.2024 H 1 UNL11111111 0.1451 27 H 1.0401 -1.8033 -1.2437 H 1 UNL11111111 0.1546 28 H 1.8505 -2.4193 0.1989 H 1 UNL11111111 0.1520 29 H 2.5775 0.1798 -1.2596 H 1 UNL11111111 0.1538 30 H 2.5011 1.3877 0.0130 H 1 UNL11111111 0.1486 31 H 3.6918 -0.2177 1.6058 H 1 UNL11111111 0.1308 32 H 3.8083 -1.4034 0.3019 H 1 UNL11111111 0.1323 33 H 5.1358 0.2635 -1.0857 H 1 UNL11111111 0.1447 34 H 5.0384 1.4310 0.2356 H 1 UNL11111111 0.1445 35 H 5.9279 -0.0793 0.4558 H 1 UNL11111111 0.1385 @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 10 12 1 13 10 13 1 14 13 14 1 15 14 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 15 35 1