@MOLECULE 2,2-dimethylbutyl (2R)-2-methylpentanoate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9494 0.3890 -0.0944 C.3 1 UNL11111111 -0.1604 2 H -1.8387 0.7921 -1.1335 H 1 UNL11111111 0.1669 3 C -1.7912 1.5310 0.9107 C.3 1 UNL11111111 -0.4376 4 C -3.3026 -0.3250 0.0407 C.3 1 UNL11111111 -0.2726 5 C -4.4564 0.5561 -0.4516 C.3 1 UNL11111111 -0.2456 6 C -5.7802 -0.2057 -0.3872 C.3 1 UNL11111111 -0.4394 7 C -0.8456 -0.6133 0.1581 C.2 1 UNL11111111 0.5885 8 O -0.9414 -1.7325 0.5905 O.2 1 UNL11111111 -0.5159 9 O 0.3443 -0.0653 -0.1874 O.3 1 UNL11111111 -0.4294 10 C 1.5062 -0.8772 0.0159 C.3 1 UNL11111111 -0.0503 11 C 2.7031 0.0936 -0.1183 C.3 1 UNL11111111 0.0868 12 C 2.6576 0.7497 -1.5027 C.3 1 UNL11111111 -0.4559 13 C 2.5998 1.1620 0.9763 C.3 1 UNL11111111 -0.4562 14 C 3.9832 -0.7572 0.0540 C.3 1 UNL11111111 -0.2782 15 C 5.2725 0.0551 -0.0566 C.3 1 UNL11111111 -0.4302 16 H -0.8097 2.0150 0.8143 H 1 UNL11111111 0.1570 17 H -2.5549 2.3025 0.7566 H 1 UNL11111111 0.1530 18 H -1.8870 1.1779 1.9451 H 1 UNL11111111 0.1541 19 H -3.2839 -1.2773 -0.5285 H 1 UNL11111111 0.1541 20 H -3.4700 -0.6261 1.0934 H 1 UNL11111111 0.1542 21 H -4.5224 1.4757 0.1604 H 1 UNL11111111 0.1341 22 H -4.2652 0.8921 -1.4882 H 1 UNL11111111 0.1333 23 H -5.7590 -1.1013 -1.0187 H 1 UNL11111111 0.1453 24 H -6.0072 -0.5302 0.6346 H 1 UNL11111111 0.1446 25 H -6.6144 0.4169 -0.7277 H 1 UNL11111111 0.1387 26 H 1.4572 -1.3471 1.0131 H 1 UNL11111111 0.1400 27 H 1.5039 -1.6604 -0.7598 H 1 UNL11111111 0.1331 28 H 1.6932 1.2467 -1.6702 H 1 UNL11111111 0.1567 29 H 3.4382 1.5089 -1.6134 H 1 UNL11111111 0.1440 30 H 2.7911 0.0146 -2.3027 H 1 UNL11111111 0.1435 31 H 2.6892 0.7261 1.9766 H 1 UNL11111111 0.1439 32 H 3.3826 1.9205 0.8724 H 1 UNL11111111 0.1452 33 H 1.6338 1.6800 0.9260 H 1 UNL11111111 0.1533 34 H 3.9560 -1.2668 1.0372 H 1 UNL11111111 0.1380 35 H 3.9934 -1.5619 -0.7069 H 1 UNL11111111 0.1372 36 H 5.3558 0.5506 -1.0303 H 1 UNL11111111 0.1436 37 H 5.3290 0.8304 0.7154 H 1 UNL11111111 0.1435 38 H 6.1522 -0.5884 0.0593 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