@MOLECULE 3,3-dimethylbutanoyl (1S)-2,2-dimethylcyclobutanecarboxylate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0019 -0.7871 -0.0905 C.3 1 UNL11111111 0.1319 2 C -3.2161 -2.0811 0.6738 C.3 1 UNL11111111 -0.4679 3 C -2.2945 -1.0351 -1.4087 C.3 1 UNL11111111 -0.4792 4 C -4.2844 0.0957 -0.2240 C.3 1 UNL11111111 -0.3066 5 C -3.6132 1.2185 0.6036 C.3 1 UNL11111111 -0.2631 6 C -2.3490 0.3431 0.7999 C.3 1 UNL11111111 -0.2488 7 H -2.1845 0.0212 1.8449 H 1 UNL11111111 0.1768 8 C -1.1072 0.9256 0.2244 C.2 1 UNL11111111 0.6485 9 O -0.9519 1.9098 -0.4345 O.2 1 UNL11111111 -0.4384 10 O -0.0250 0.1732 0.6476 O.3 1 UNL11111111 -0.5667 11 C 1.1057 0.0213 -0.1275 C.2 1 UNL11111111 0.6581 12 O 1.0579 0.1694 -1.3129 O.2 1 UNL11111111 -0.4562 13 C 2.2156 -0.4363 0.7621 C.3 1 UNL11111111 -0.3805 14 C 3.6194 -0.1832 0.1598 C.3 1 UNL11111111 0.1547 15 C 3.7839 1.3029 -0.1799 C.3 1 UNL11111111 -0.4756 16 C 4.6619 -0.5844 1.2185 C.3 1 UNL11111111 -0.4715 17 C 3.8221 -1.0363 -1.0976 C.3 1 UNL11111111 -0.4754 18 H -2.2627 -2.5813 0.8860 H 1 UNL11111111 0.1540 19 H -3.7197 -1.9154 1.6331 H 1 UNL11111111 0.1479 20 H -3.8332 -2.7828 0.0990 H 1 UNL11111111 0.1525 21 H -2.8569 -1.7341 -2.0388 H 1 UNL11111111 0.1541 22 H -2.1641 -0.1113 -1.9911 H 1 UNL11111111 0.1668 23 H -1.2924 -1.4597 -1.2600 H 1 UNL11111111 0.1605 24 H -4.5344 0.3752 -1.2506 H 1 UNL11111111 0.1498 25 H -5.1779 -0.3348 0.2321 H 1 UNL11111111 0.1425 26 H -3.4362 2.1457 0.0437 H 1 UNL11111111 0.1634 27 H -4.1293 1.4780 1.5308 H 1 UNL11111111 0.1427 28 H 2.1364 0.0639 1.7527 H 1 UNL11111111 0.1828 29 H 2.0822 -1.5196 0.9730 H 1 UNL11111111 0.1792 30 H 3.6119 1.9420 0.6916 H 1 UNL11111111 0.1459 31 H 4.7914 1.5161 -0.5526 H 1 UNL11111111 0.1496 32 H 3.0808 1.6164 -0.9645 H 1 UNL11111111 0.1673 33 H 4.5688 -1.6380 1.4990 H 1 UNL11111111 0.1433 34 H 5.6797 -0.4381 0.8395 H 1 UNL11111111 0.1505 35 H 4.5664 0.0155 2.1292 H 1 UNL11111111 0.1453 36 H 3.1070 -0.7633 -1.8872 H 1 UNL11111111 0.1728 37 H 4.8252 -0.8973 -1.5141 H 1 UNL11111111 0.1475 38 H 3.6942 -2.1030 -0.8936 H 1 UNL11111111 0.1415 @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 14 17 1 18 2 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 13 28 1 29 13 29 1 30 15 30 1 31 15 31 1 32 15 32 1 33 16 33 1 34 16 34 1 35 16 35 1 36 17 36 1 37 17 37 1 38 17 38 1