@MOLECULE 3-methylbutanoyl (2R)-2-methylpentanoate 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9304 -0.2254 -0.1235 C.3 1 UNL11111111 -0.0402 2 C 3.8446 -1.1291 1.1093 C.3 1 UNL11111111 -0.4601 3 C 5.0189 -0.7237 -1.0791 C.3 1 UNL11111111 -0.4570 4 C 2.5772 -0.1914 -0.8606 C.3 1 UNL11111111 -0.3701 5 C 1.5595 0.5362 -0.0426 C.2 1 UNL11111111 0.6467 6 O 1.7084 1.4000 0.7691 O.2 1 UNL11111111 -0.4416 7 O 0.2999 0.1308 -0.4357 O.3 1 UNL11111111 -0.5635 8 C -0.7976 0.2392 0.3928 C.2 1 UNL11111111 0.6290 9 O -0.6904 0.1952 1.5808 O.2 1 UNL11111111 -0.4376 10 C -2.0410 0.3331 -0.4575 C.3 1 UNL11111111 -0.1604 11 H -1.8512 -0.1355 -1.4573 H 1 UNL11111111 0.1716 12 C -2.3453 1.8212 -0.6409 C.3 1 UNL11111111 -0.4395 13 C -3.1773 -0.4146 0.2564 C.3 1 UNL11111111 -0.2749 14 C -4.3893 -0.6020 -0.6636 C.3 1 UNL11111111 -0.2447 15 C -5.5017 -1.3595 0.0610 C.3 1 UNL11111111 -0.4398 16 H 4.1848 0.8139 0.2088 H 1 UNL11111111 0.1510 17 H 4.8006 -1.1616 1.6442 H 1 UNL11111111 0.1491 18 H 3.0920 -0.7625 1.8208 H 1 UNL11111111 0.1597 19 H 3.5793 -2.1579 0.8461 H 1 UNL11111111 0.1449 20 H 4.8054 -1.7334 -1.4462 H 1 UNL11111111 0.1458 21 H 5.1258 -0.0670 -1.9490 H 1 UNL11111111 0.1424 22 H 5.9938 -0.7602 -0.5784 H 1 UNL11111111 0.1495 23 H 2.6802 0.3135 -1.8450 H 1 UNL11111111 0.1780 24 H 2.2344 -1.2212 -1.0958 H 1 UNL11111111 0.1822 25 H -1.5178 2.3437 -1.1389 H 1 UNL11111111 0.1564 26 H -3.2418 1.9686 -1.2549 H 1 UNL11111111 0.1550 27 H -2.5226 2.3229 0.3204 H 1 UNL11111111 0.1613 28 H -2.8194 -1.4030 0.6082 H 1 UNL11111111 0.1488 29 H -3.4728 0.1310 1.1752 H 1 UNL11111111 0.1584 30 H -4.7661 0.3808 -1.0050 H 1 UNL11111111 0.1356 31 H -4.0941 -1.1489 -1.5789 H 1 UNL11111111 0.1333 32 H -5.8333 -0.8241 0.9583 H 1 UNL11111111 0.1458 33 H -6.3773 -1.4926 -0.5837 H 1 UNL11111111 0.1398 34 H -5.1717 -2.3562 0.3756 H 1 UNL11111111 0.1451 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 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 4 23 1 23 4 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