@MOLECULE 3,3-dimethylbutyl pentanoate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.1903 0.0236 0.0041 C.3 1 UNL11111111 -0.4385 2 C 4.8843 -0.7708 0.0104 C.3 1 UNL11111111 -0.2481 3 C 3.6767 0.1734 -0.0006 C.3 1 UNL11111111 -0.2549 4 C 2.3675 -0.6200 -0.0072 C.3 1 UNL11111111 -0.3533 5 C 1.1971 0.3159 -0.0040 C.2 1 UNL11111111 0.6109 6 O 1.2016 1.5196 0.0050 O.2 1 UNL11111111 -0.5141 7 O 0.0478 -0.4044 -0.0125 O.3 1 UNL11111111 -0.4505 8 C -1.1749 0.3499 -0.0149 C.3 1 UNL11111111 -0.0025 9 C -2.2606 -0.7222 0.0055 C.3 1 UNL11111111 -0.3297 10 C -3.6867 -0.1299 0.0040 C.3 1 UNL11111111 0.1348 11 C -3.9119 0.7352 -1.2451 C.3 1 UNL11111111 -0.4680 12 C -4.6859 -1.3019 -0.0107 C.3 1 UNL11111111 -0.4682 13 C -3.9230 0.7126 1.2666 C.3 1 UNL11111111 -0.4676 14 H 6.2525 0.7028 0.8622 H 1 UNL11111111 0.1452 15 H 7.0599 -0.6408 0.0470 H 1 UNL11111111 0.1391 16 H 6.2858 0.6315 -0.9028 H 1 UNL11111111 0.1447 17 H 4.8503 -1.4442 -0.8671 H 1 UNL11111111 0.1339 18 H 4.8469 -1.4273 0.9003 H 1 UNL11111111 0.1340 19 H 3.7082 0.8504 0.8765 H 1 UNL11111111 0.1535 20 H 3.7197 0.8440 -0.8818 H 1 UNL11111111 0.1531 21 H 2.3133 -1.2874 -0.8937 H 1 UNL11111111 0.1766 22 H 2.3097 -1.2977 0.8712 H 1 UNL11111111 0.1767 23 H -1.1868 0.9986 0.8776 H 1 UNL11111111 0.1357 24 H -1.1946 0.9718 -0.9260 H 1 UNL11111111 0.1351 25 H -2.1310 -1.3939 -0.8662 H 1 UNL11111111 0.1538 26 H -2.1235 -1.3690 0.8944 H 1 UNL11111111 0.1538 27 H -3.6512 0.1930 -2.1599 H 1 UNL11111111 0.1461 28 H -4.9604 1.0393 -1.3322 H 1 UNL11111111 0.1466 29 H -3.3116 1.6506 -1.2181 H 1 UNL11111111 0.1471 30 H -4.5611 -1.9456 0.8660 H 1 UNL11111111 0.1446 31 H -5.7197 -0.9416 -0.0073 H 1 UNL11111111 0.1459 32 H -4.5595 -1.9255 -0.9014 H 1 UNL11111111 0.1447 33 H -3.2834 1.6009 1.2894 H 1 UNL11111111 0.1469 34 H -4.9602 1.0602 1.3206 H 1 UNL11111111 0.1466 35 H -3.7218 0.1359 2.1754 H 1 UNL11111111 0.1459 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1