@MOLECULE [2-(1-methylcyclobutyl)acetyl] (1S)-2,2-dimethylcyclobutanecarboxylate 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2548 0.8049 0.0363 C.3 1 UNL11111111 0.6905 2 C -3.4327 2.0537 -0.8085 C.3 1 UNL11111111 -1.0362 3 C -2.5266 1.1136 1.3302 C.3 1 UNL11111111 -1.3610 4 C -4.5633 -0.0263 0.2340 C.3 1 UNL11111111 -0.3600 5 C -3.9350 -1.2198 -0.5252 C.3 1 UNL11111111 -0.5226 6 C -2.6453 -0.3989 -0.7835 C.3 1 UNL11111111 -0.0586 7 H -2.4790 -0.1482 -1.8476 H 1 UNL11111111 0.1667 8 C -1.4180 -0.9901 -0.1852 C.2 1 UNL11111111 0.1737 9 O -1.2852 -1.9751 0.4775 O.2 1 UNL11111111 -0.2952 10 O -0.3273 -0.2459 -0.5939 O.3 1 UNL11111111 -0.3430 11 C 0.8454 -0.1941 0.1313 C.2 1 UNL11111111 0.4901 12 O 0.8641 -0.4245 1.3026 O.2 1 UNL11111111 -0.3393 13 C 1.9320 0.2497 -0.7955 C.3 1 UNL11111111 -0.6488 14 C 3.2492 0.4896 -0.0605 C.3 1 UNL11111111 0.7231 15 C 3.1492 1.6520 0.9080 C.3 1 UNL11111111 -1.1671 16 C 3.8673 -0.8061 0.5537 C.3 1 UNL11111111 -0.5161 17 C 5.0556 -0.7170 -0.4355 C.3 1 UNL11111111 -0.1952 18 C 4.4658 0.5826 -1.0405 C.3 1 UNL11111111 -0.6061 19 H -2.4637 2.4903 -1.0825 H 1 UNL11111111 0.2728 20 H -3.9748 1.8492 -1.7388 H 1 UNL11111111 0.2642 21 H -3.9964 2.8224 -0.2659 H 1 UNL11111111 0.2853 22 H -3.0623 1.8661 1.9207 H 1 UNL11111111 0.3215 23 H -2.4157 0.2247 1.9676 H 1 UNL11111111 0.4253 24 H -1.5161 1.5008 1.1428 H 1 UNL11111111 0.4216 25 H -4.8128 -0.2328 1.2777 H 1 UNL11111111 0.1708 26 H -5.4467 0.4027 -0.2425 H 1 UNL11111111 0.1478 27 H -3.7833 -2.1157 0.0906 H 1 UNL11111111 0.2398 28 H -4.4658 -1.5204 -1.4316 H 1 UNL11111111 0.1957 29 H 2.0635 -0.5193 -1.5907 H 1 UNL11111111 0.2587 30 H 1.6174 1.1690 -1.3371 H 1 UNL11111111 0.2386 31 H 2.4127 1.4466 1.6992 H 1 UNL11111111 0.3477 32 H 4.1062 1.8426 1.4089 H 1 UNL11111111 0.3044 33 H 2.8529 2.5785 0.4054 H 1 UNL11111111 0.2933 34 H 4.1403 -0.7147 1.6080 H 1 UNL11111111 0.1993 35 H 3.2478 -1.7003 0.4547 H 1 UNL11111111 0.1479 36 H 6.0317 -0.5936 0.0385 H 1 UNL11111111 0.1320 37 H 5.1243 -1.5517 -1.1369 H 1 UNL11111111 0.1438 38 H 4.2128 0.5192 -2.0993 H 1 UNL11111111 0.1824 39 H 5.0865 1.4694 -0.8985 H 1 UNL11111111 0.2122 @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 11 12 2 13 11 13 1 14 13 14 1 15 14 15 1 16 14 16 1 17 16 17 1 18 17 18 1 19 14 18 1 20 2 19 1 21 2 20 1 22 2 21 1 23 3 22 1 24 3 23 1 25 3 24 1 26 4 25 1 27 4 26 1 28 5 27 1 29 5 28 1 30 13 29 1 31 13 30 1 32 15 31 1 33 15 32 1 34 15 33 1 35 16 34 1 36 16 35 1 37 17 36 1 38 17 37 1 39 18 38 1 40 18 39 1