@MOLECULE 2,2-dimethylbutyl (2S)-2-methylpentanoate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.9479 0.3881 -0.0845 C.3 1 UNL11111111 -0.1602 2 H 1.8327 0.8031 -1.1186 H 1 UNL11111111 0.1670 3 C 1.7900 1.5174 0.9350 C.3 1 UNL11111111 -0.4376 4 C 3.3036 -0.3226 0.0361 C.3 1 UNL11111111 -0.2727 5 C 4.4539 0.5633 -0.4564 C.3 1 UNL11111111 -0.2455 6 C 5.7791 -0.1972 -0.3987 C.3 1 UNL11111111 -0.4393 7 C 0.8457 -0.6189 0.1600 C.2 1 UNL11111111 0.5890 8 O 0.9400 -1.7347 0.6008 O.2 1 UNL11111111 -0.5153 9 O -0.3413 -0.0750 -0.2021 O.3 1 UNL11111111 -0.4302 10 C -1.5071 -0.8810 0.0003 C.3 1 UNL11111111 -0.0502 11 C -2.7015 0.0951 -0.1213 C.3 1 UNL11111111 0.0868 12 C -2.5965 1.1475 0.9881 C.3 1 UNL11111111 -0.4564 13 C -2.6576 0.7710 -1.4961 C.3 1 UNL11111111 -0.4557 14 C -3.9839 -0.7549 0.0403 C.3 1 UNL11111111 -0.2782 15 C -5.2716 0.0620 -0.0550 C.3 1 UNL11111111 -0.4301 16 H 2.5549 2.2901 0.7929 H 1 UNL11111111 0.1532 17 H 0.8095 2.0037 0.8425 H 1 UNL11111111 0.1567 18 H 1.8825 1.1510 1.9647 H 1 UNL11111111 0.1542 19 H 3.4782 -0.6323 1.0849 H 1 UNL11111111 0.1543 20 H 3.2835 -1.2690 -0.5419 H 1 UNL11111111 0.1536 21 H 4.2587 0.9027 -1.4910 H 1 UNL11111111 0.1333 22 H 4.5205 1.4810 0.1580 H 1 UNL11111111 0.1341 23 H 6.0068 -0.5280 0.6211 H 1 UNL11111111 0.1446 24 H 5.7593 -1.0885 -1.0363 H 1 UNL11111111 0.1453 25 H 6.6122 0.4292 -0.7350 H 1 UNL11111111 0.1387 26 H -1.5112 -1.6565 -0.7828 H 1 UNL11111111 0.1328 27 H -1.4575 -1.3597 0.9934 H 1 UNL11111111 0.1403 28 H -1.6310 1.6669 0.9442 H 1 UNL11111111 0.1530 29 H -3.3798 1.9069 0.8954 H 1 UNL11111111 0.1453 30 H -2.6849 0.6975 1.9822 H 1 UNL11111111 0.1439 31 H -2.7905 0.0471 -2.3062 H 1 UNL11111111 0.1435 32 H -3.4402 1.5300 -1.5959 H 1 UNL11111111 0.1440 33 H -1.6947 1.2728 -1.6570 H 1 UNL11111111 0.1566 34 H -3.9976 -1.5496 -0.7310 H 1 UNL11111111 0.1372 35 H -3.9560 -1.2788 1.0157 H 1 UNL11111111 0.1379 36 H -5.3206 0.8317 0.7231 H 1 UNL11111111 0.1436 37 H -5.3605 0.5660 -1.0236 H 1 UNL11111111 0.1435 38 H -6.1523 -0.5797 0.0625 H 1 UNL11111111 0.1391 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 6 23 1 23 6 24 1 24 6 25 1 25 10 26 1 26 10 27 1 27 12 28 1 28 12 29 1 29 12 30 1 30 13 31 1 31 13 32 1 32 13 33 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 15 38 1