@MOLECULE [(2R)-2-methylbutanoyl] (2S)-2-methylpentanoate 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0916 0.6512 1.0621 C.3 1 UNL1111111 -0.4361 2 C 4.0601 -0.2762 0.4250 C.3 1 UNL1111111 -0.2527 3 C 2.7177 0.4413 0.2108 C.3 1 UNL1111111 -0.1568 4 H 2.4439 1.0094 1.1366 H 1 UNL1111111 0.1704 5 C 2.7565 1.4006 -0.9798 C.3 1 UNL1111111 -0.4366 6 C 1.6515 -0.5961 -0.0645 C.2 1 UNL1111111 0.6117 7 O 1.7786 -1.7409 -0.3723 O.2 1 UNL1111111 -0.4248 8 O 0.4289 0.0117 0.1124 O.3 1 UNL1111111 -0.5507 9 C -0.7839 -0.5718 -0.1783 C.2 1 UNL1111111 0.6129 10 O -0.8964 -1.6906 -0.5747 O.2 1 UNL1111111 -0.4245 11 C -1.8589 0.4587 0.0909 C.3 1 UNL1111111 -0.1583 12 H -1.6821 0.9093 1.1011 H 1 UNL1111111 0.1698 13 C -1.7482 1.5470 -0.9779 C.3 1 UNL1111111 -0.4365 14 C -3.2283 -0.2368 0.0670 C.3 1 UNL1111111 -0.2754 15 C -4.3140 0.6434 0.6975 C.3 1 UNL1111111 -0.2460 16 C -5.6826 -0.0283 0.5847 C.3 1 UNL1111111 -0.4390 17 H 5.2975 1.5230 0.4312 H 1 UNL1111111 0.1427 18 H 4.7580 1.0201 2.0385 H 1 UNL1111111 0.1428 19 H 6.0447 0.1309 1.2179 H 1 UNL1111111 0.1460 20 H 4.4384 -0.6698 -0.5394 H 1 UNL1111111 0.1527 21 H 3.9146 -1.1722 1.0639 H 1 UNL1111111 0.1526 22 H 1.7981 1.9214 -1.1051 H 1 UNL1111111 0.1537 23 H 3.5306 2.1655 -0.8433 H 1 UNL1111111 0.1541 24 H 2.9778 0.8786 -1.9196 H 1 UNL1111111 0.1557 25 H -1.8671 1.1395 -1.9899 H 1 UNL1111111 0.1550 26 H -2.5221 2.3125 -0.8443 H 1 UNL1111111 0.1531 27 H -0.7749 2.0531 -0.9343 H 1 UNL1111111 0.1555 28 H -3.5026 -0.5008 -0.9731 H 1 UNL1111111 0.1547 29 H -3.1745 -1.2059 0.6042 H 1 UNL1111111 0.1562 30 H -4.0764 0.8396 1.7603 H 1 UNL1111111 0.1336 31 H -4.3407 1.6336 0.2047 H 1 UNL1111111 0.1334 32 H -5.9585 -0.2046 -0.4613 H 1 UNL1111111 0.1447 33 H -5.6985 -0.9976 1.0962 H 1 UNL1111111 0.1468 34 H -6.4677 0.5915 1.0311 H 1 UNL1111111 0.1393 @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 15 16 1 16 1 17 1 17 1 18 1 18 1 19 1 19 2 20 1 20 2 21 1 21 5 22 1 22 5 23 1 23 5 24 1 24 13 25 1 25 13 26 1 26 13 27 1 27 14 28 1 28 14 29 1 29 15 30 1 30 15 31 1 31 16 32 1 32 16 33 1 33 16 34 1