@MOLECULE [2-[(1R,2S)-2-methylcyclobutyl]acetyl] 4,4-dimethylpentanoate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.8155 1.1676 -1.4471 C.3 1 UNL11111111 -0.4679 2 C -4.7885 0.4861 -0.0713 C.3 1 UNL11111111 0.1335 3 C -4.7419 1.5531 1.0332 C.3 1 UNL11111111 -0.4676 4 C -6.0702 -0.3510 0.0994 C.3 1 UNL11111111 -0.4690 5 C -3.5811 -0.4717 0.0446 C.3 1 UNL11111111 -0.2857 6 C -2.2325 0.2160 -0.1765 C.3 1 UNL11111111 -0.3464 7 C -1.1202 -0.7433 0.1236 C.2 1 UNL11111111 0.6323 8 O -1.1749 -1.8986 0.4135 O.2 1 UNL11111111 -0.4247 9 O 0.0623 -0.0413 0.0269 O.3 1 UNL11111111 -0.5635 10 C 1.3165 -0.5925 0.1927 C.2 1 UNL11111111 0.6341 11 O 1.5034 -1.7586 0.3510 O.2 1 UNL11111111 -0.4157 12 C 2.3017 0.5355 0.1177 C.3 1 UNL11111111 -0.3637 13 C 3.7225 0.0049 0.1987 C.3 1 UNL11111111 -0.1124 14 H 3.8553 -0.6261 1.0959 H 1 UNL11111111 0.1557 15 C 4.8235 1.1088 0.0577 C.3 1 UNL11111111 -0.0960 16 H 4.4089 2.1030 -0.1766 H 1 UNL11111111 0.1313 17 C 5.7845 1.1915 1.2252 C.3 1 UNL11111111 -0.4530 18 C 5.3767 0.3811 -1.2039 C.3 1 UNL11111111 -0.2944 19 C 4.2538 -0.6797 -1.0933 C.3 1 UNL11111111 -0.2785 20 H -3.9828 1.8667 -1.5709 H 1 UNL11111111 0.1420 21 H -4.7611 0.4334 -2.2578 H 1 UNL11111111 0.1471 22 H -5.7390 1.7404 -1.5860 H 1 UNL11111111 0.1450 23 H -5.6414 2.1780 1.0163 H 1 UNL11111111 0.1451 24 H -4.6786 1.0963 2.0267 H 1 UNL11111111 0.1478 25 H -3.8834 2.2218 0.9191 H 1 UNL11111111 0.1412 26 H -6.1564 -1.1172 -0.6780 H 1 UNL11111111 0.1468 27 H -6.0911 -0.8585 1.0696 H 1 UNL11111111 0.1475 28 H -6.9652 0.2763 0.0399 H 1 UNL11111111 0.1439 29 H -3.5954 -0.9576 1.0421 H 1 UNL11111111 0.1564 30 H -3.6968 -1.3023 -0.6809 H 1 UNL11111111 0.1541 31 H -2.1392 0.5846 -1.2204 H 1 UNL11111111 0.1791 32 H -2.1349 1.1206 0.4616 H 1 UNL11111111 0.1802 33 H 2.1407 1.1166 -0.8168 H 1 UNL11111111 0.1827 34 H 2.1085 1.2583 0.9412 H 1 UNL11111111 0.1811 35 H 6.2171 0.2134 1.4701 H 1 UNL11111111 0.1513 36 H 6.6189 1.8687 1.0061 H 1 UNL11111111 0.1452 37 H 5.2857 1.5640 2.1281 H 1 UNL11111111 0.1465 38 H 5.3530 0.9788 -2.1164 H 1 UNL11111111 0.1358 39 H 6.3870 -0.0174 -1.0889 H 1 UNL11111111 0.1421 40 H 4.6036 -1.7047 -0.9425 H 1 UNL11111111 0.1490 41 H 3.5516 -0.6895 -1.9295 H 1 UNL11111111 0.1416 @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 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 13 15 1 15 15 16 1 16 15 17 1 17 15 18 1 18 18 19 1 19 13 19 1 20 1 20 1 21 1 21 1 22 1 22 1 23 3 23 1 24 3 24 1 25 3 25 1 26 4 26 1 27 4 27 1 28 4 28 1 29 5 29 1 30 5 30 1 31 6 31 1 32 6 32 1 33 12 33 1 34 12 34 1 35 17 35 1 36 17 36 1 37 17 37 1 38 18 38 1 39 18 39 1 40 19 40 1 41 19 41 1