@MOLECULE [(2R)-2-methylbutanoyl] (2R)-2-methylpentanoate 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0105 -1.2537 0.5238 C.3 1 UNL11111111 -0.4356 2 C 3.9881 -0.4565 -0.2822 C.3 1 UNL11111111 -0.2522 3 C 2.7255 -0.1630 0.5449 C.3 1 UNL11111111 -0.1579 4 H 2.3930 -1.0974 1.0659 H 1 UNL11111111 0.1717 5 C 2.9490 0.9439 1.5766 C.3 1 UNL11111111 -0.4383 6 C 1.6395 0.3121 -0.3897 C.2 1 UNL11111111 0.6230 7 O 1.7323 0.9182 -1.4140 O.2 1 UNL11111111 -0.4380 8 O 0.4246 -0.1348 0.0832 O.3 1 UNL11111111 -0.5572 9 C -0.7685 0.4676 -0.2581 C.2 1 UNL11111111 0.6239 10 O -0.8251 1.6192 -0.5673 O.2 1 UNL11111111 -0.4358 11 C -1.8825 -0.5368 -0.0858 C.3 1 UNL11111111 -0.1599 12 H -1.6618 -1.1867 0.7999 H 1 UNL11111111 0.1709 13 C -1.9215 -1.3967 -1.3501 C.3 1 UNL11111111 -0.4377 14 C -3.1954 0.2260 0.1464 C.3 1 UNL11111111 -0.2750 15 C -4.3142 -0.7104 0.6171 C.3 1 UNL11111111 -0.2454 16 C -5.5951 0.0788 0.8890 C.3 1 UNL11111111 -0.4394 17 H 5.3409 -0.7075 1.4147 H 1 UNL11111111 0.1445 18 H 4.6035 -2.2152 0.8570 H 1 UNL11111111 0.1425 19 H 5.9036 -1.4679 -0.0758 H 1 UNL11111111 0.1454 20 H 4.4344 0.4924 -0.6421 H 1 UNL11111111 0.1553 21 H 3.7179 -1.0164 -1.2006 H 1 UNL11111111 0.1467 22 H 2.0472 1.1248 2.1759 H 1 UNL11111111 0.1556 23 H 3.7560 0.6786 2.2701 H 1 UNL11111111 0.1551 24 H 3.2272 1.8947 1.1021 H 1 UNL11111111 0.1601 25 H -2.1205 -0.7951 -2.2468 H 1 UNL11111111 0.1591 26 H -0.9705 -1.9223 -1.5076 H 1 UNL11111111 0.1573 27 H -2.7095 -2.1568 -1.2876 H 1 UNL11111111 0.1540 28 H -3.0397 1.0286 0.8955 H 1 UNL11111111 0.1513 29 H -3.4989 0.7517 -0.7809 H 1 UNL11111111 0.1574 30 H -4.5076 -1.4887 -0.1456 H 1 UNL11111111 0.1351 31 H -4.0026 -1.2509 1.5309 H 1 UNL11111111 0.1329 32 H -5.4454 0.8327 1.6704 H 1 UNL11111111 0.1453 33 H -5.9430 0.6015 -0.0095 H 1 UNL11111111 0.1457 34 H -6.4050 -0.5804 1.2198 H 1 UNL11111111 0.1395 @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 11 13 1 13 11 14 1 14 14 15 1 15 15 16 1 16 1 17 1 17 1 18 1 18 1 19 1 19 2 20 1 20 2 21 1 21 5 22 1 22 5 23 1 23 5 24 1 24 13 25 1 25 13 26 1 26 13 27 1 27 14 28 1 28 14 29 1 29 15 30 1 30 15 31 1 31 16 32 1 32 16 33 1 33 16 34 1