@MOLECULE [(2R)-2-methylbutanoyl] 6-methylheptanoate 40 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.3277 1.0834 0.8452 C.3 1 UNL11111111 -0.4356 2 C 5.3532 0.0712 0.2487 C.3 1 UNL11111111 -0.2536 3 C 3.9283 0.6423 0.1682 C.3 1 UNL11111111 -0.1563 4 H 3.6620 1.1241 1.1438 H 1 UNL11111111 0.1700 5 C 3.7768 1.6634 -0.9597 C.3 1 UNL11111111 -0.4362 6 C 2.9666 -0.4957 -0.0943 C.2 1 UNL11111111 0.6140 7 O 3.1990 -1.6151 -0.4326 O.2 1 UNL11111111 -0.4251 8 O 1.6940 -0.0233 0.1356 O.3 1 UNL11111111 -0.5583 9 C 0.5394 -0.7459 -0.0758 C.2 1 UNL11111111 0.6291 10 O 0.5300 -1.8758 -0.4558 O.2 1 UNL11111111 -0.4209 11 C -0.6101 0.1598 0.2501 C.3 1 UNL11111111 -0.3486 12 C -1.9336 -0.5831 0.0532 C.3 1 UNL11111111 -0.2563 13 C -3.1174 0.3528 0.3192 C.3 1 UNL11111111 -0.2704 14 C -4.4430 -0.3903 0.1132 C.3 1 UNL11111111 -0.2865 15 C -5.6560 0.5301 0.3465 C.3 1 UNL11111111 -0.0635 16 C -5.8037 1.5488 -0.7900 C.3 1 UNL11111111 -0.4546 17 C -6.9313 -0.3170 0.4510 C.3 1 UNL11111111 -0.4568 18 H 6.0236 1.3964 1.8503 H 1 UNL11111111 0.1427 19 H 7.3349 0.6573 0.9275 H 1 UNL11111111 0.1462 20 H 6.4060 1.9848 0.2271 H 1 UNL11111111 0.1429 21 H 5.6927 -0.2452 -0.7579 H 1 UNL11111111 0.1528 22 H 5.3551 -0.8560 0.8590 H 1 UNL11111111 0.1529 23 H 2.7562 2.0662 -1.0017 H 1 UNL11111111 0.1558 24 H 4.4569 2.5119 -0.8170 H 1 UNL11111111 0.1535 25 H 4.0032 1.2264 -1.9403 H 1 UNL11111111 0.1550 26 H -0.5151 0.5342 1.2919 H 1 UNL11111111 0.1787 27 H -0.5652 1.0675 -0.3895 H 1 UNL11111111 0.1775 28 H -1.9927 -0.9940 -0.9750 H 1 UNL11111111 0.1550 29 H -1.9806 -1.4659 0.7217 H 1 UNL11111111 0.1532 30 H -3.0654 0.7551 1.3478 H 1 UNL11111111 0.1357 31 H -3.0665 1.2299 -0.3531 H 1 UNL11111111 0.1376 32 H -4.4876 -0.8172 -0.9060 H 1 UNL11111111 0.1424 33 H -4.4952 -1.2537 0.8037 H 1 UNL11111111 0.1397 34 H -5.5123 1.0807 1.3069 H 1 UNL11111111 0.1276 35 H -6.6623 2.2078 -0.6222 H 1 UNL11111111 0.1423 36 H -4.9158 2.1832 -0.8796 H 1 UNL11111111 0.1401 37 H -5.9527 1.0524 -1.7550 H 1 UNL11111111 0.1460 38 H -6.8742 -1.0260 1.2835 H 1 UNL11111111 0.1423 39 H -7.8125 0.3122 0.6155 H 1 UNL11111111 0.1434 40 H -7.1055 -0.8927 -0.4644 H 1 UNL11111111 0.1461 @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 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 15 17 1 17 1 18 1 18 1 19 1 19 1 20 1 20 2 21 1 21 2 22 1 22 5 23 1 23 5 24 1 24 5 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 15 34 1 34 16 35 1 35 16 36 1 36 16 37 1 37 17 38 1 38 17 39 1 39 17 40 1