@MOLECULE [(2R)-2-methylpentanoyl] 2,2-dimethylpentanoate 40 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.9931 -0.5028 0.0365 C.3 1 UNL11111111 -0.4401 2 C 4.7656 0.3930 -0.1350 C.3 1 UNL11111111 -0.2418 3 C 3.4831 -0.4445 -0.0909 C.3 1 UNL11111111 -0.2895 4 C 2.1968 0.4016 -0.1802 C.3 1 UNL11111111 0.0347 5 C 2.0681 1.3556 1.0093 C.3 1 UNL11111111 -0.4514 6 C 2.1078 1.1630 -1.5054 C.3 1 UNL11111111 -0.4528 7 C 1.0280 -0.5779 -0.1460 C.2 1 UNL11111111 0.6068 8 O 1.0483 -1.7672 -0.2447 O.2 1 UNL11111111 -0.4366 9 O -0.1551 0.1243 -0.0669 O.3 1 UNL11111111 -0.5482 10 C -1.3206 -0.4260 0.4153 C.2 1 UNL11111111 0.6194 11 O -1.3341 -1.4150 1.0834 O.2 1 UNL11111111 -0.4347 12 C -2.4646 0.4812 0.0247 C.3 1 UNL11111111 -0.1591 13 H -2.2726 0.9050 -0.9939 H 1 UNL11111111 0.1698 14 C -2.5166 1.6172 1.0478 C.3 1 UNL11111111 -0.4381 15 C -3.7569 -0.3487 0.0039 C.3 1 UNL11111111 -0.2740 16 C -4.9003 0.4128 -0.6763 C.3 1 UNL11111111 -0.2453 17 C -6.1867 -0.4122 -0.6465 C.3 1 UNL11111111 -0.4393 18 H 6.9192 0.0800 -0.0083 H 1 UNL11111111 0.1384 19 H 5.9787 -1.0233 1.0012 H 1 UNL11111111 0.1458 20 H 6.0464 -1.2661 -0.7482 H 1 UNL11111111 0.1458 21 H 4.7519 1.1631 0.6591 H 1 UNL11111111 0.1341 22 H 4.8324 0.9421 -1.0930 H 1 UNL11111111 0.1332 23 H 3.4957 -1.1876 -0.9150 H 1 UNL11111111 0.1572 24 H 3.4631 -1.0484 0.8391 H 1 UNL11111111 0.1548 25 H 2.8573 2.1162 0.9970 H 1 UNL11111111 0.1533 26 H 1.1073 1.8874 0.9971 H 1 UNL11111111 0.1600 27 H 2.1388 0.8232 1.9655 H 1 UNL11111111 0.1546 28 H 2.2070 0.4921 -2.3673 H 1 UNL11111111 0.1546 29 H 1.1493 1.6902 -1.6017 H 1 UNL11111111 0.1604 30 H 2.9012 1.9154 -1.5842 H 1 UNL11111111 0.1544 31 H -1.5827 2.1941 1.0540 H 1 UNL11111111 0.1540 32 H -3.3314 2.3155 0.8216 H 1 UNL11111111 0.1541 33 H -2.6848 1.2419 2.0657 H 1 UNL11111111 0.1574 34 H -3.5831 -1.3097 -0.5219 H 1 UNL11111111 0.1536 35 H -4.0432 -0.6329 1.0360 H 1 UNL11111111 0.1566 36 H -5.0668 1.3845 -0.1739 H 1 UNL11111111 0.1334 37 H -4.6301 0.6539 -1.7221 H 1 UNL11111111 0.1340 38 H -7.0127 0.1210 -1.1297 H 1 UNL11111111 0.1391 39 H -6.0636 -1.3686 -1.1679 H 1 UNL11111111 0.1469 40 H -6.4970 -0.6355 0.3809 H 1 UNL11111111 0.1448 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 15 16 1 16 16 17 1 17 1 18 1 18 1 19 1 19 1 20 1 20 2 21 1 21 2 22 1 22 3 23 1 23 3 24 1 24 5 25 1 25 5 26 1 26 5 27 1 27 6 28 1 28 6 29 1 29 6 30 1 30 14 31 1 31 14 32 1 32 14 33 1 33 15 34 1 34 15 35 1 35 16 36 1 36 16 37 1 37 17 38 1 38 17 39 1 39 17 40 1