@MOLECULE [2-[(1R,2R)-2-methylcyclobutyl]acetyl] 3,3-dimethylcyclobutanecarboxylate 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9278 0.8362 -0.7891 C.3 1 UNL11111111 -0.2924 2 C -4.3343 0.3306 -0.3253 C.3 1 UNL11111111 0.1108 3 C -5.3962 1.4167 -0.3214 C.3 1 UNL11111111 -0.4661 4 C -4.8120 -0.9088 -1.0583 C.3 1 UNL11111111 -0.4659 5 C -3.7388 0.0339 1.0905 C.3 1 UNL11111111 -0.2988 6 C -2.3607 0.5786 0.6340 C.3 1 UNL11111111 -0.2047 7 C -1.2695 -0.4408 0.6574 C.2 1 UNL11111111 0.6304 8 O -1.3061 -1.5897 0.9778 O.2 1 UNL11111111 -0.4284 9 O -0.0972 0.1881 0.2948 O.3 1 UNL11111111 -0.5558 10 C 1.0332 -0.4786 -0.1272 C.2 1 UNL11111111 0.6379 11 O 1.0082 -1.6118 -0.4990 O.2 1 UNL11111111 -0.4277 12 C 2.1691 0.5000 -0.1076 C.3 1 UNL11111111 -0.3560 13 C 3.4234 -0.1612 0.4380 C.3 1 UNL11111111 -0.1121 14 H 3.2262 -0.5999 1.4325 H 1 UNL11111111 0.1441 15 C 4.7220 0.7204 0.4364 C.3 1 UNL11111111 -0.0941 16 H 5.2116 0.7086 1.4271 H 1 UNL11111111 0.1338 17 C 4.6039 2.1431 -0.0679 C.3 1 UNL11111111 -0.4515 18 C 5.3839 -0.2754 -0.5615 C.3 1 UNL11111111 -0.2958 19 C 4.1146 -1.1601 -0.5340 C.3 1 UNL11111111 -0.2763 20 H -2.4715 0.2376 -1.5819 H 1 UNL11111111 0.1540 21 H -2.8968 1.8816 -1.1021 H 1 UNL11111111 0.1480 22 H -5.6644 1.7157 -1.3417 H 1 UNL11111111 0.1486 23 H -6.3139 1.0737 0.1713 H 1 UNL11111111 0.1497 24 H -5.0598 2.3171 0.2049 H 1 UNL11111111 0.1464 25 H -4.0507 -1.7004 -1.0603 H 1 UNL11111111 0.1594 26 H -5.7112 -1.3274 -0.5906 H 1 UNL11111111 0.1504 27 H -5.0560 -0.6878 -2.1038 H 1 UNL11111111 0.1485 28 H -4.1988 0.5925 1.9072 H 1 UNL11111111 0.1463 29 H -3.7399 -1.0272 1.3661 H 1 UNL11111111 0.1673 30 H -2.0468 1.5014 1.1565 H 1 UNL11111111 0.1728 31 H 2.3331 0.8756 -1.1420 H 1 UNL11111111 0.1813 32 H 1.9134 1.3991 0.4959 H 1 UNL11111111 0.1824 33 H 3.9748 2.7529 0.5914 H 1 UNL11111111 0.1454 34 H 5.5902 2.6233 -0.1139 H 1 UNL11111111 0.1469 35 H 4.1779 2.1933 -1.0766 H 1 UNL11111111 0.1467 36 H 5.6154 0.1517 -1.5395 H 1 UNL11111111 0.1403 37 H 6.2872 -0.7581 -0.1847 H 1 UNL11111111 0.1370 38 H 4.2609 -2.1604 -0.1172 H 1 UNL11111111 0.1472 39 H 3.6130 -1.2794 -1.4978 H 1 UNL11111111 0.1501 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 15 16 1 17 15 17 1 18 15 18 1 19 18 19 1 20 13 19 1 21 1 20 1 22 1 21 1 23 3 22 1 24 3 23 1 25 3 24 1 26 4 25 1 27 4 26 1 28 4 27 1 29 5 28 1 30 5 29 1 31 6 30 1 32 12 31 1 33 12 32 1 34 17 33 1 35 17 34 1 36 17 35 1 37 18 36 1 38 18 37 1 39 19 38 1 40 19 39 1