@MOLECULE 2-methylpropanoyl (3R)-3-methylhexanoate 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6495 0.7251 -0.3168 C.3 1 UNL11111111 -0.1348 2 C -4.8648 -0.1437 -0.6352 C.3 1 UNL11111111 -0.4440 3 C -3.9331 1.6980 0.8284 C.3 1 UNL11111111 -0.4418 4 C -2.5197 -0.1792 0.1190 C.2 1 UNL11111111 0.6289 5 O -2.5420 -1.1236 0.8483 O.2 1 UNL11111111 -0.4380 6 O -1.3420 0.3115 -0.3990 O.3 1 UNL11111111 -0.5667 7 C -0.1991 -0.4552 -0.5161 C.2 1 UNL11111111 0.6471 8 O -0.2529 -1.6390 -0.6601 O.2 1 UNL11111111 -0.4349 9 C 0.9843 0.4595 -0.5323 C.3 1 UNL11111111 -0.3700 10 C 2.2322 -0.2664 0.0101 C.3 1 UNL11111111 -0.0622 11 H 2.3840 -1.2046 -0.5810 H 1 UNL11111111 0.1523 12 C 2.0281 -0.6360 1.4813 C.3 1 UNL11111111 -0.4590 13 C 3.4576 0.6484 -0.1696 C.3 1 UNL11111111 -0.2878 14 C 4.7699 -0.1285 0.0016 C.3 1 UNL11111111 -0.2455 15 C 5.9740 0.7927 -0.1940 C.3 1 UNL11111111 -0.4441 16 H -3.3469 1.3005 -1.2292 H 1 UNL11111111 0.1687 17 H -5.7297 0.4702 -0.9114 H 1 UNL11111111 0.1528 18 H -4.6665 -0.8302 -1.4681 H 1 UNL11111111 0.1551 19 H -5.1582 -0.7589 0.2279 H 1 UNL11111111 0.1665 20 H -3.0597 2.3230 1.0531 H 1 UNL11111111 0.1536 21 H -4.7615 2.3711 0.5774 H 1 UNL11111111 0.1540 22 H -4.2107 1.1699 1.7506 H 1 UNL11111111 0.1607 23 H 1.1548 0.8071 -1.5741 H 1 UNL11111111 0.1772 24 H 0.7825 1.3789 0.0571 H 1 UNL11111111 0.1809 25 H 1.1823 -1.3266 1.6061 H 1 UNL11111111 0.1608 26 H 2.9107 -1.1399 1.8918 H 1 UNL11111111 0.1496 27 H 1.8339 0.2439 2.1027 H 1 UNL11111111 0.1448 28 H 3.4404 1.1158 -1.1723 H 1 UNL11111111 0.1357 29 H 3.4168 1.4843 0.5528 H 1 UNL11111111 0.1403 30 H 4.8115 -0.5929 1.0053 H 1 UNL11111111 0.1371 31 H 4.8130 -0.9659 -0.7207 H 1 UNL11111111 0.1366 32 H 6.9157 0.2448 -0.0771 H 1 UNL11111111 0.1423 33 H 5.9784 1.2429 -1.1927 H 1 UNL11111111 0.1420 34 H 5.9772 1.6093 0.5363 H 1 UNL11111111 0.1420 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 14 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 2 19 1 19 3 20 1 20 3 21 1 21 3 22 1 22 9 23 1 23 9 24 1 24 12 25 1 25 12 26 1 26 12 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