@MOLECULE [2-[(1S)-2,2-dimethylcyclobutyl]acetyl] (2R)-2-methylbutanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.7730 0.6792 0.8391 C.3 1 UNL1111111 -0.4349 2 C 4.6769 -0.2239 0.2799 C.3 1 UNL1111111 -0.2535 3 C 3.3787 0.5592 0.0250 C.3 1 UNL1111111 -0.1578 4 H 3.1367 1.1847 0.9223 H 1 UNL1111111 0.1711 5 C 3.4713 1.4581 -1.2086 C.3 1 UNL1111111 -0.4375 6 C 2.2615 -0.4294 -0.2114 C.2 1 UNL1111111 0.6256 7 O 2.3105 -1.5411 -0.6428 O.2 1 UNL1111111 -0.4356 8 O 1.0661 0.1885 0.0844 O.3 1 UNL1111111 -0.5643 9 C -0.0915 -0.5115 0.3624 C.2 1 UNL1111111 0.6408 10 O -0.0656 -1.6266 0.7861 O.2 1 UNL1111111 -0.4283 11 C -1.2512 0.4079 0.1343 C.3 1 UNL1111111 -0.3567 12 C -2.5598 -0.3548 0.2343 C.3 1 UNL1111111 -0.1283 13 H -2.5478 -1.0181 1.1211 H 1 UNL1111111 0.1580 14 C -3.8813 0.5002 0.1661 C.3 1 UNL1111111 0.0943 15 C -4.7834 0.2694 1.3684 C.3 1 UNL1111111 -0.4665 16 C -3.7047 1.9861 -0.0936 C.3 1 UNL1111111 -0.4638 17 C -4.3098 -0.3033 -1.1043 C.3 1 UNL1111111 -0.3081 18 C -2.9904 -1.1089 -1.0557 C.3 1 UNL1111111 -0.2811 19 H 5.4705 1.1488 1.7822 H 1 UNL1111111 0.1434 20 H 6.6885 0.1083 1.0383 H 1 UNL1111111 0.1461 21 H 6.0352 1.4807 0.1392 H 1 UNL1111111 0.1429 22 H 5.0168 -0.7106 -0.6564 H 1 UNL1111111 0.1538 23 H 4.4825 -1.0590 0.9845 H 1 UNL1111111 0.1512 24 H 3.7052 0.8857 -2.1152 H 1 UNL1111111 0.1561 25 H 2.5299 1.9951 -1.3852 H 1 UNL1111111 0.1556 26 H 4.2594 2.2110 -1.0873 H 1 UNL1111111 0.1538 27 H -1.2189 1.2301 0.8844 H 1 UNL1111111 0.1833 28 H -1.1512 0.9123 -0.8518 H 1 UNL1111111 0.1830 29 H -4.3409 0.6790 2.2838 H 1 UNL1111111 0.1484 30 H -5.7605 0.7466 1.2320 H 1 UNL1111111 0.1465 31 H -4.9658 -0.7981 1.5421 H 1 UNL1111111 0.1512 32 H -3.0743 2.1793 -0.9688 H 1 UNL1111111 0.1469 33 H -4.6728 2.4665 -0.2843 H 1 UNL1111111 0.1485 34 H -3.2533 2.4963 0.7648 H 1 UNL1111111 0.1460 35 H -5.2127 -0.9032 -0.9748 H 1 UNL1111111 0.1410 36 H -4.4411 0.3049 -2.0007 H 1 UNL1111111 0.1393 37 H -2.3343 -0.9573 -1.9157 H 1 UNL1111111 0.1419 38 H -3.1162 -2.1870 -0.9211 H 1 UNL1111111 0.1477 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 14 15 1 15 14 16 1 16 14 17 1 17 17 18 1 18 12 18 1 19 1 19 1 20 1 20 1 21 1 21 1 22 2 22 1 23 2 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 11 27 1 28 11 28 1 29 15 29 1 30 15 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 18 37 1 38 18 38 1