@MOLECULE [(2S)-2-methylbutanoyl] 2,2-dimethylbutanoate 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7597 0.2811 0.0342 C.3 1 UNL11111111 -0.4308 2 C 3.4697 -0.5331 -0.0088 C.3 1 UNL11111111 -0.2680 3 C 2.1952 0.3291 0.1111 C.3 1 UNL11111111 0.0379 4 C 2.1643 1.1247 1.4192 C.3 1 UNL11111111 -0.4519 5 C 2.0322 1.2540 -1.0967 C.3 1 UNL11111111 -0.4505 6 C 1.0153 -0.6365 0.1521 C.2 1 UNL11111111 0.6059 7 O 1.0248 -1.8201 0.3069 O.2 1 UNL11111111 -0.4388 8 O -0.1618 0.0747 0.0728 O.3 1 UNL11111111 -0.5490 9 C -1.3496 -0.4877 -0.3356 C.2 1 UNL11111111 0.6184 10 O -1.3966 -1.5055 -0.9574 O.2 1 UNL11111111 -0.4349 11 C -2.4727 0.4437 0.0592 C.3 1 UNL11111111 -0.1566 12 H -2.1833 1.0184 0.9753 H 1 UNL11111111 0.1702 13 C -2.6888 1.4152 -1.1020 C.3 1 UNL11111111 -0.4384 14 C -3.7194 -0.4057 0.3559 C.3 1 UNL11111111 -0.2518 15 C -4.8114 0.4224 1.0274 C.3 1 UNL11111111 -0.4351 16 H 4.8803 0.8033 0.9899 H 1 UNL11111111 0.1426 17 H 5.6339 -0.3696 -0.0922 H 1 UNL11111111 0.1444 18 H 4.7953 1.0317 -0.7628 H 1 UNL11111111 0.1426 19 H 3.4283 -1.1199 -0.9494 H 1 UNL11111111 0.1508 20 H 3.4810 -1.2902 0.8033 H 1 UNL11111111 0.1559 21 H 2.9643 1.8740 1.4441 H 1 UNL11111111 0.1554 22 H 1.2131 1.6599 1.5399 H 1 UNL11111111 0.1592 23 H 2.2961 0.4762 2.2935 H 1 UNL11111111 0.1541 24 H 2.0130 0.6936 -2.0390 H 1 UNL11111111 0.1536 25 H 1.1009 1.8325 -1.0382 H 1 UNL11111111 0.1593 26 H 2.8566 1.9735 -1.1588 H 1 UNL11111111 0.1537 27 H -1.7805 1.9919 -1.3172 H 1 UNL11111111 0.1524 28 H -2.9782 0.8922 -2.0227 H 1 UNL11111111 0.1583 29 H -3.4862 2.1322 -0.8718 H 1 UNL11111111 0.1547 30 H -4.0992 -0.8604 -0.5816 H 1 UNL11111111 0.1549 31 H -3.4465 -1.2627 1.0056 H 1 UNL11111111 0.1493 32 H -5.6915 -0.1939 1.2483 H 1 UNL11111111 0.1459 33 H -4.4683 0.8540 1.9745 H 1 UNL11111111 0.1433 34 H -5.1455 1.2483 0.3891 H 1 UNL11111111 0.1430 @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 11 13 1 13 11 14 1 14 14 15 1 15 1 16 1 16 1 17 1 17 1 18 1 18 2 19 1 19 2 20 1 20 4 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 5 26 1 26 13 27 1 27 13 28 1 28 13 29 1 29 14 30 1 30 14 31 1 31 15 32 1 32 15 33 1 33 15 34 1