@MOLECULE [2-[(1R,2R)-2-methylcyclobutyl]acetyl] 3,3-dimethylbutanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2423 0.6339 -1.0389 C.3 1 UNL11111111 -0.4751 2 C -4.0152 -0.3099 0.1479 C.3 1 UNL11111111 0.1533 3 C -4.2591 0.4328 1.4666 C.3 1 UNL11111111 -0.4748 4 C -4.9878 -1.4989 0.0467 C.3 1 UNL11111111 -0.4709 5 C -2.5756 -0.8773 0.1101 C.3 1 UNL11111111 -0.3842 6 C -1.5208 0.1807 0.1169 C.2 1 UNL11111111 0.6558 7 O -1.5682 1.3451 0.3739 O.2 1 UNL11111111 -0.4366 8 O -0.3138 -0.4382 -0.1619 O.3 1 UNL11111111 -0.5735 9 C 0.7737 0.2419 -0.6659 C.2 1 UNL11111111 0.6459 10 O 0.6548 1.2640 -1.2710 O.2 1 UNL11111111 -0.4344 11 C 1.9982 -0.5789 -0.4010 C.3 1 UNL11111111 -0.3573 12 C 3.2364 0.2978 -0.4492 C.3 1 UNL11111111 -0.1144 13 H 3.2446 0.8995 -1.3784 H 1 UNL11111111 0.1543 14 C 4.6091 -0.4217 -0.2101 C.3 1 UNL11111111 -0.0945 15 H 5.3268 -0.1933 -1.0182 H 1 UNL11111111 0.1340 16 C 4.5793 -1.9125 0.0544 C.3 1 UNL11111111 -0.4513 17 C 4.8369 0.4595 1.0541 C.3 1 UNL11111111 -0.2927 18 C 3.4781 1.1632 0.8214 C.3 1 UNL11111111 -0.2822 19 H -3.6023 1.5252 -0.9722 H 1 UNL11111111 0.1686 20 H -4.0293 0.1462 -1.9948 H 1 UNL11111111 0.1446 21 H -5.2783 0.9879 -1.0721 H 1 UNL11111111 0.1499 22 H -5.2847 0.8131 1.5242 H 1 UNL11111111 0.1486 23 H -4.0968 -0.2121 2.3349 H 1 UNL11111111 0.1419 24 H -3.5912 1.3002 1.5679 H 1 UNL11111111 0.1707 25 H -4.8726 -2.0367 -0.8997 H 1 UNL11111111 0.1449 26 H -4.8381 -2.2151 0.8604 H 1 UNL11111111 0.1434 27 H -6.0282 -1.1586 0.1011 H 1 UNL11111111 0.1506 28 H -2.4121 -1.5559 0.9759 H 1 UNL11111111 0.1810 29 H -2.4496 -1.5223 -0.7874 H 1 UNL11111111 0.1817 30 H 1.9140 -1.1019 0.5769 H 1 UNL11111111 0.1841 31 H 2.0638 -1.3907 -1.1590 H 1 UNL11111111 0.1810 32 H 4.2369 -2.4712 -0.8247 H 1 UNL11111111 0.1447 33 H 5.5812 -2.2838 0.3065 H 1 UNL11111111 0.1467 34 H 3.9223 -2.1726 0.8927 H 1 UNL11111111 0.1472 35 H 4.9042 -0.0992 1.9897 H 1 UNL11111111 0.1403 36 H 5.7061 1.1175 0.9928 H 1 UNL11111111 0.1376 37 H 3.5457 2.2365 0.6243 H 1 UNL11111111 0.1476 38 H 2.7479 1.0182 1.6208 H 1 UNL11111111 0.1433 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 14 15 1 15 14 16 1 16 14 17 1 17 17 18 1 18 12 18 1 19 1 19 1 20 1 20 1 21 1 21 1 22 3 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 4 27 1 28 5 28 1 29 5 29 1 30 11 30 1 31 11 31 1 32 16 32 1 33 16 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 18 37 1 38 18 38 1