@MOLECULE 3,3-dimethylbutyl (2R)-2-methylpentanoate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2223 0.4873 -0.1650 C.3 1 UNL11111111 -0.1600 2 H -2.1623 0.8200 -1.2329 H 1 UNL11111111 0.1673 3 C -2.1526 1.7099 0.7515 C.3 1 UNL11111111 -0.4378 4 C -3.5037 -0.3320 0.0489 C.3 1 UNL11111111 -0.2741 5 C -4.7441 0.4126 -0.4576 C.3 1 UNL11111111 -0.2450 6 C -5.9896 -0.4631 -0.3176 C.3 1 UNL11111111 -0.4392 7 C -1.0304 -0.3925 0.1386 C.2 1 UNL11111111 0.5945 8 O -1.0213 -1.4778 0.6591 O.2 1 UNL11111111 -0.5178 9 O 0.1043 0.2244 -0.2701 O.3 1 UNL11111111 -0.4451 10 C 1.3379 -0.4657 -0.0154 C.3 1 UNL11111111 -0.0060 11 C 2.4034 0.5997 -0.2591 C.3 1 UNL11111111 -0.3295 12 C 3.8409 0.0631 -0.0872 C.3 1 UNL11111111 0.1353 13 C 4.1251 -1.0598 -1.0957 C.3 1 UNL11111111 -0.4679 14 C 4.8140 1.2277 -0.3498 C.3 1 UNL11111111 -0.4685 15 C 4.0591 -0.4585 1.3406 C.3 1 UNL11111111 -0.4678 16 H -2.2218 1.4290 1.8096 H 1 UNL11111111 0.1536 17 H -1.2112 2.2593 0.6137 H 1 UNL11111111 0.1591 18 H -2.9718 2.4083 0.5443 H 1 UNL11111111 0.1520 19 H -3.4137 -1.3095 -0.4679 H 1 UNL11111111 0.1536 20 H -3.6178 -0.5859 1.1213 H 1 UNL11111111 0.1547 21 H -4.8817 1.3551 0.1055 H 1 UNL11111111 0.1343 22 H -4.6076 0.7079 -1.5149 H 1 UNL11111111 0.1333 23 H -6.1573 -0.7587 0.7244 H 1 UNL11111111 0.1447 24 H -6.8868 0.0646 -0.6584 H 1 UNL11111111 0.1387 25 H -5.9035 -1.3817 -0.9093 H 1 UNL11111111 0.1451 26 H 1.3367 -0.8452 1.0214 H 1 UNL11111111 0.1395 27 H 1.3948 -1.3115 -0.7206 H 1 UNL11111111 0.1331 28 H 2.2778 1.0187 -1.2771 H 1 UNL11111111 0.1542 29 H 2.2357 1.4512 0.4292 H 1 UNL11111111 0.1523 30 H 3.9095 -0.7405 -2.1205 H 1 UNL11111111 0.1459 31 H 5.1765 -1.3652 -1.0605 H 1 UNL11111111 0.1464 32 H 3.5235 -1.9515 -0.8922 H 1 UNL11111111 0.1466 33 H 4.6549 2.0499 0.3551 H 1 UNL11111111 0.1445 34 H 5.8553 0.9057 -0.2469 H 1 UNL11111111 0.1457 35 H 4.6937 1.6282 -1.3615 H 1 UNL11111111 0.1445 36 H 3.4476 -1.3425 1.5491 H 1 UNL11111111 0.1474 37 H 5.1043 -0.7447 1.5007 H 1 UNL11111111 0.1464 38 H 3.8081 0.3018 2.0873 H 1 UNL11111111 0.1461 @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 12 13 1 13 12 14 1 14 12 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 11 28 1 28 11 29 1 29 13 30 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 15 38 1