@MOLECULE 4-methylpentanoyl (3R)-3-methylhexanoate 40 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -5.1905 0.4724 -0.3503 C.3 1 UNL11111111 -0.0551 2 C -6.3580 -0.5067 -0.5282 C.3 1 UNL11111111 -0.4563 3 C -5.5596 1.5430 0.6826 C.3 1 UNL11111111 -0.4554 4 C -3.9344 -0.3051 0.0834 C.3 1 UNL11111111 -0.2733 5 C -2.6694 0.5467 -0.0555 C.3 1 UNL11111111 -0.3504 6 C -1.4656 -0.2855 0.2521 C.2 1 UNL11111111 0.6436 7 O -1.3825 -1.3138 0.8529 O.2 1 UNL11111111 -0.4355 8 O -0.3408 0.3712 -0.2097 O.3 1 UNL11111111 -0.5643 9 C 0.8026 -0.3128 -0.5672 C.2 1 UNL11111111 0.6499 10 O 0.7564 -1.4468 -0.9402 O.2 1 UNL11111111 -0.4425 11 C 1.9732 0.6151 -0.5000 C.3 1 UNL11111111 -0.3708 12 C 3.2074 -0.1504 0.0218 C.3 1 UNL11111111 -0.0639 13 H 3.3209 -1.0920 -0.5744 H 1 UNL11111111 0.1548 14 C 3.0067 -0.5153 1.4948 C.3 1 UNL11111111 -0.4585 15 C 4.4635 0.7176 -0.1726 C.3 1 UNL11111111 -0.2864 16 C 5.7454 -0.1062 0.0135 C.3 1 UNL11111111 -0.2455 17 C 6.9856 0.7625 -0.1957 C.3 1 UNL11111111 -0.4440 18 H -4.9914 0.9695 -1.3305 H 1 UNL11111111 0.1290 19 H -7.2746 0.0170 -0.8193 H 1 UNL11111111 0.1422 20 H -6.1449 -1.2489 -1.3054 H 1 UNL11111111 0.1454 21 H -6.5723 -1.0499 0.3988 H 1 UNL11111111 0.1479 22 H -4.7629 2.2841 0.8001 H 1 UNL11111111 0.1396 23 H -6.4658 2.0827 0.3865 H 1 UNL11111111 0.1423 24 H -5.7504 1.1020 1.6673 H 1 UNL11111111 0.1478 25 H -4.0440 -0.6601 1.1274 H 1 UNL11111111 0.1571 26 H -3.8343 -1.2266 -0.5259 H 1 UNL11111111 0.1542 27 H -2.5918 0.9792 -1.0763 H 1 UNL11111111 0.1797 28 H -2.7013 1.4212 0.6300 H 1 UNL11111111 0.1801 29 H 2.1646 1.0256 -1.5144 H 1 UNL11111111 0.1766 30 H 1.7581 1.4941 0.1429 H 1 UNL11111111 0.1815 31 H 3.8622 -1.0773 1.8870 H 1 UNL11111111 0.1502 32 H 2.8816 0.3725 2.1233 H 1 UNL11111111 0.1455 33 H 2.1204 -1.1487 1.6338 H 1 UNL11111111 0.1579 34 H 4.4627 1.1668 -1.1838 H 1 UNL11111111 0.1362 35 H 4.4542 1.5671 0.5344 H 1 UNL11111111 0.1401 36 H 5.7680 -0.5541 1.0254 H 1 UNL11111111 0.1370 37 H 5.7561 -0.9573 -0.6941 H 1 UNL11111111 0.1371 38 H 7.9044 0.1788 -0.0689 H 1 UNL11111111 0.1423 39 H 7.0087 1.1961 -1.2014 H 1 UNL11111111 0.1422 40 H 7.0216 1.5900 0.5214 H 1 UNL11111111 0.1418 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 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 12 14 1 14 12 15 1 15 15 16 1 16 16 17 1 17 1 18 1 18 2 19 1 19 2 20 1 20 2 21 1 21 3 22 1 22 3 23 1 23 3 24 1 24 4 25 1 25 4 26 1 26 5 27 1 27 5 28 1 28 11 29 1 29 11 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