@MOLECULE [2-[(1S,2S)-2-methylcyclopropyl]acetyl] 4,4-dimethylpentanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.4088 1.3157 -1.2600 C.3 1 UNL11111111 -0.4677 2 C -4.3819 0.5385 0.0649 C.3 1 UNL11111111 0.1335 3 C -4.2842 1.5226 1.2400 C.3 1 UNL11111111 -0.4679 4 C -5.6865 -0.2696 0.1955 C.3 1 UNL11111111 -0.4690 5 C -3.2044 -0.4626 0.0865 C.3 1 UNL11111111 -0.2864 6 C -1.8322 0.2096 0.0187 C.3 1 UNL11111111 -0.3457 7 C -0.7598 -0.8330 -0.0807 C.2 1 UNL11111111 0.6336 8 O -0.8577 -2.0191 -0.1496 O.2 1 UNL11111111 -0.4227 9 O 0.4491 -0.1688 -0.1029 O.3 1 UNL11111111 -0.5649 10 C 1.6819 -0.7840 -0.1530 C.2 1 UNL11111111 0.6338 11 O 1.8298 -1.9649 -0.0949 O.2 1 UNL11111111 -0.4145 12 C 2.7050 0.3064 -0.2919 C.3 1 UNL11111111 -0.3381 13 C 4.0947 -0.2505 -0.1244 C.3 1 UNL11111111 -0.1568 14 H 4.2106 -1.2401 -0.5922 H 1 UNL11111111 0.1755 15 C 4.8740 0.0168 1.1460 C.3 1 UNL11111111 -0.3373 16 C 5.3009 0.6790 -0.1460 C.3 1 UNL11111111 -0.1321 17 H 6.2079 0.3020 -0.6364 H 1 UNL11111111 0.1533 18 C 5.1340 2.1629 -0.3262 C.3 1 UNL11111111 -0.4341 19 H -3.5376 1.9687 -1.3680 H 1 UNL11111111 0.1411 20 H -4.4263 0.6377 -2.1200 H 1 UNL11111111 0.1479 21 H -5.2979 1.9521 -1.3264 H 1 UNL11111111 0.1452 22 H -5.1790 2.1515 1.3035 H 1 UNL11111111 0.1451 23 H -4.1864 0.9958 2.1951 H 1 UNL11111111 0.1472 24 H -3.4263 2.1940 1.1385 H 1 UNL11111111 0.1418 25 H -5.7994 -0.9838 -0.6269 H 1 UNL11111111 0.1475 26 H -5.7162 -0.8352 1.1327 H 1 UNL11111111 0.1469 27 H -6.5634 0.3854 0.1816 H 1 UNL11111111 0.1439 28 H -3.2674 -1.0867 1.0009 H 1 UNL11111111 0.1536 29 H -3.3144 -1.1757 -0.7567 H 1 UNL11111111 0.1571 30 H -1.7663 0.8974 -0.8519 H 1 UNL11111111 0.1799 31 H -1.6572 0.8499 0.9098 H 1 UNL11111111 0.1798 32 H 2.5986 0.7857 -1.2924 H 1 UNL11111111 0.1841 33 H 2.4944 1.1193 0.4381 H 1 UNL11111111 0.1825 34 H 4.4338 0.6122 1.9392 H 1 UNL11111111 0.1578 35 H 5.4813 -0.7747 1.5761 H 1 UNL11111111 0.1608 36 H 6.0469 2.6996 -0.0329 H 1 UNL11111111 0.1501 37 H 4.9292 2.4133 -1.3759 H 1 UNL11111111 0.1491 38 H 4.3159 2.5752 0.2764 H 1 UNL11111111 0.1458 @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 16 17 1 17 13 16 1 18 16 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 6 30 1 31 6 31 1 32 12 32 1 33 12 33 1 34 15 34 1 35 15 35 1 36 18 36 1 37 18 37 1 38 18 38 1