@MOLECULE [(2S)-2-methylpentanoyl] (1S)-2,2-dimethylcyclobutanecarboxylate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0417 -0.7159 -0.1738 C.3 1 UNL11111111 0.1319 2 C -3.1521 -2.1434 0.3301 C.3 1 UNL11111111 -0.4676 3 C -2.4567 -0.6684 -1.5723 C.3 1 UNL11111111 -0.4793 4 C -4.3497 0.1240 -0.0138 C.3 1 UNL11111111 -0.3064 5 C -3.6273 1.0882 0.9580 C.3 1 UNL11111111 -0.2617 6 C -2.3329 0.2401 0.8648 C.3 1 UNL11111111 -0.2484 7 H -2.0673 -0.2754 1.8066 H 1 UNL11111111 0.1768 8 C -1.1599 0.9704 0.3132 C.2 1 UNL11111111 0.6419 9 O -1.0833 2.0691 -0.1480 O.2 1 UNL11111111 -0.4329 10 O -0.0361 0.1815 0.4877 O.3 1 UNL11111111 -0.5566 11 C 1.0576 0.2523 -0.3401 C.2 1 UNL11111111 0.6255 12 O 0.9980 0.7302 -1.4335 O.2 1 UNL11111111 -0.4462 13 C 2.2158 -0.4396 0.3406 C.3 1 UNL11111111 -0.1558 14 H 2.1538 -0.2682 1.4461 H 1 UNL11111111 0.1714 15 C 2.0900 -1.9361 0.0508 C.3 1 UNL11111111 -0.4382 16 C 3.5221 0.1590 -0.2019 C.3 1 UNL11111111 -0.2751 17 C 4.7281 -0.2717 0.6408 C.3 1 UNL11111111 -0.2455 18 C 6.0054 0.3938 0.1284 C.3 1 UNL11111111 -0.4392 19 H -2.1685 -2.6282 0.3710 H 1 UNL11111111 0.1532 20 H -3.5852 -2.1941 1.3357 H 1 UNL11111111 0.1480 21 H -3.7887 -2.7481 -0.3276 H 1 UNL11111111 0.1525 22 H -3.0663 -1.2426 -2.2803 H 1 UNL11111111 0.1550 23 H -2.3937 0.3582 -1.9618 H 1 UNL11111111 0.1667 24 H -1.4408 -1.0840 -1.6023 H 1 UNL11111111 0.1585 25 H -4.7020 0.5900 -0.9373 H 1 UNL11111111 0.1498 26 H -5.1862 -0.4229 0.4248 H 1 UNL11111111 0.1423 27 H -3.5222 2.1131 0.5793 H 1 UNL11111111 0.1635 28 H -4.0597 1.1414 1.9597 H 1 UNL11111111 0.1425 29 H 2.8957 -2.5001 0.5359 H 1 UNL11111111 0.1535 30 H 1.1388 -2.3379 0.4237 H 1 UNL11111111 0.1555 31 H 2.1457 -2.1497 -1.0242 H 1 UNL11111111 0.1562 32 H 3.6667 -0.1349 -1.2604 H 1 UNL11111111 0.1562 33 H 3.4530 1.2660 -0.2166 H 1 UNL11111111 0.1536 34 H 4.5662 -0.0082 1.7033 H 1 UNL11111111 0.1343 35 H 4.8405 -1.3719 0.6146 H 1 UNL11111111 0.1333 36 H 6.2072 0.1255 -0.9147 H 1 UNL11111111 0.1447 37 H 5.9380 1.4867 0.1796 H 1 UNL11111111 0.1468 38 H 6.8765 0.0911 0.7193 H 1 UNL11111111 0.1391 @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 13 15 1 16 13 16 1 17 16 17 1 18 17 18 1 19 2 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 15 29 1 30 15 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 17 34 1 35 17 35 1 36 18 36 1 37 18 37 1 38 18 38 1