@MOLECULE [(1S)-1-methylbutyl] 2,2-dimethylpentanoate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1305 0.4257 -0.6902 C.3 1 UNL11111111 -0.4405 2 C 3.8923 0.6697 0.1738 C.3 1 UNL11111111 -0.2421 3 C 2.6673 -0.0202 -0.4367 C.3 1 UNL11111111 -0.2861 4 C 1.3790 0.1850 0.3843 C.3 1 UNL11111111 0.0327 5 C 1.5052 -0.4021 1.7934 C.3 1 UNL11111111 -0.4537 6 C 0.9788 1.6615 0.4394 C.3 1 UNL11111111 -0.4526 7 C 0.2652 -0.5818 -0.3247 C.2 1 UNL11111111 0.5845 8 O 0.3740 -1.3081 -1.2796 O.2 1 UNL11111111 -0.5283 9 O -0.9209 -0.3390 0.2756 O.3 1 UNL11111111 -0.4495 10 C -2.0847 -1.0143 -0.2350 C.3 1 UNL11111111 0.1592 11 H -2.0122 -1.0674 -1.3442 H 1 UNL11111111 0.1417 12 C -2.1287 -2.4037 0.3907 C.3 1 UNL11111111 -0.4943 13 C -3.2431 -0.1213 0.2241 C.3 1 UNL11111111 -0.3100 14 C -3.2759 1.1845 -0.5788 C.3 1 UNL11111111 -0.2437 15 C -4.4481 2.0642 -0.1459 C.3 1 UNL11111111 -0.4391 16 H 6.0117 0.9219 -0.2700 H 1 UNL11111111 0.1380 17 H 5.3602 -0.6431 -0.7683 H 1 UNL11111111 0.1448 18 H 4.9914 0.8070 -1.7082 H 1 UNL11111111 0.1445 19 H 4.0725 0.2956 1.1992 H 1 UNL11111111 0.1339 20 H 3.7126 1.7568 0.2715 H 1 UNL11111111 0.1334 21 H 2.5067 0.3458 -1.4709 H 1 UNL11111111 0.1528 22 H 2.8643 -1.1062 -0.5472 H 1 UNL11111111 0.1559 23 H 2.2478 0.1443 2.3862 H 1 UNL11111111 0.1543 24 H 0.5517 -0.3482 2.3361 H 1 UNL11111111 0.1607 25 H 1.8137 -1.4537 1.7671 H 1 UNL11111111 0.1520 26 H 0.8629 2.0860 -0.5646 H 1 UNL11111111 0.1512 27 H 0.0259 1.7986 0.9685 H 1 UNL11111111 0.1619 28 H 1.7318 2.2591 0.9658 H 1 UNL11111111 0.1536 29 H -3.0476 -2.9366 0.1263 H 1 UNL11111111 0.1543 30 H -1.2814 -3.0116 0.0420 H 1 UNL11111111 0.1678 31 H -2.0664 -2.3532 1.4838 H 1 UNL11111111 0.1568 32 H -4.1994 -0.6652 0.1161 H 1 UNL11111111 0.1477 33 H -3.1365 0.1019 1.3040 H 1 UNL11111111 0.1549 34 H -2.3203 1.7288 -0.4417 H 1 UNL11111111 0.1437 35 H -3.3469 0.9667 -1.6615 H 1 UNL11111111 0.1352 36 H -4.4634 3.0064 -0.7051 H 1 UNL11111111 0.1410 37 H -5.4087 1.5658 -0.3154 H 1 UNL11111111 0.1409 38 H -4.3897 2.3158 0.9187 H 1 UNL11111111 0.1422 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 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 1 17 1 17 1 18 1 18 2 19 1 19 2 20 1 20 3 21 1 21 3 22 1 22 5 23 1 23 5 24 1 24 5 25 1 25 6 26 1 26 6 27 1 27 6 28 1 28 12 29 1 29 12 30 1 30 12 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