@MOLECULE 2-pentanyl hexanoate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.0632 -0.8761 0.3273 C.3 1 UNL11111111 -0.4427 2 C 4.8745 -0.2125 -0.3680 C.3 1 UNL11111111 -0.2484 3 C 3.5690 -0.5068 0.3833 C.3 1 UNL11111111 -0.2701 4 C 2.3864 0.1876 -0.2997 C.3 1 UNL11111111 -0.2557 5 C 1.0809 -0.1251 0.4357 C.3 1 UNL11111111 -0.3510 6 C -0.0601 0.6063 -0.2064 C.2 1 UNL11111111 0.6151 7 O -0.0176 1.3956 -1.1149 O.2 1 UNL11111111 -0.5198 8 O -1.2157 0.2448 0.3985 O.3 1 UNL11111111 -0.4624 9 C -2.4318 0.8740 -0.0467 C.3 1 UNL11111111 0.1647 10 H -2.3905 0.9898 -1.1530 H 1 UNL11111111 0.1408 11 C -2.5409 2.2224 0.6551 C.3 1 UNL11111111 -0.4955 12 C -3.5207 -0.1110 0.3902 C.3 1 UNL11111111 -0.3101 13 C -3.5188 -1.3563 -0.5038 C.3 1 UNL11111111 -0.2441 14 C -4.6038 -2.3406 -0.0691 C.3 1 UNL11111111 -0.4391 15 H 6.1828 -0.5106 1.3533 H 1 UNL11111111 0.1420 16 H 5.9433 -1.9640 0.3773 H 1 UNL11111111 0.1417 17 H 6.9992 -0.6730 -0.2049 H 1 UNL11111111 0.1414 18 H 5.0370 0.8801 -0.4346 H 1 UNL11111111 0.1365 19 H 4.7989 -0.5707 -1.4123 H 1 UNL11111111 0.1357 20 H 3.3992 -1.5989 0.4261 H 1 UNL11111111 0.1366 21 H 3.6552 -0.1717 1.4339 H 1 UNL11111111 0.1370 22 H 2.5487 1.2839 -0.3367 H 1 UNL11111111 0.1542 23 H 2.3109 -0.1278 -1.3593 H 1 UNL11111111 0.1514 24 H 0.8786 -1.2171 0.4397 H 1 UNL11111111 0.1764 25 H 1.1503 0.1621 1.5068 H 1 UNL11111111 0.1762 26 H -2.4543 2.1162 1.7427 H 1 UNL11111111 0.1580 27 H -1.7371 2.8965 0.3258 H 1 UNL11111111 0.1677 28 H -3.4936 2.7150 0.4368 H 1 UNL11111111 0.1548 29 H -3.3562 -0.4036 1.4462 H 1 UNL11111111 0.1568 30 H -4.5078 0.3847 0.3595 H 1 UNL11111111 0.1476 31 H -3.6702 -1.0698 -1.5618 H 1 UNL11111111 0.1346 32 H -2.5238 -1.8420 -0.4602 H 1 UNL11111111 0.1441 33 H -4.4629 -2.6591 0.9699 H 1 UNL11111111 0.1427 34 H -5.6030 -1.8978 -0.1463 H 1 UNL11111111 0.1413 35 H -4.5937 -3.2419 -0.6925 H 1 UNL11111111 0.1415 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 14 35 1