@MOLECULE 2-pentanyl hexanoate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.0629 0.8757 0.3285 C.3 1 UNL1111111 -0.4427 2 C 4.8745 0.2145 -0.3692 C.3 1 UNL1111111 -0.2484 3 C 3.5692 0.5068 0.3829 C.3 1 UNL1111111 -0.2702 4 C 2.3868 -0.1874 -0.3004 C.3 1 UNL1111111 -0.2556 5 C 1.0821 0.1239 0.4369 C.3 1 UNL1111111 -0.3510 6 C -0.0593 -0.6056 -0.2064 C.2 1 UNL1111111 0.6151 7 O -0.0172 -1.3933 -1.1163 O.2 1 UNL1111111 -0.5197 8 O -1.2149 -0.2444 0.3988 O.3 1 UNL1111111 -0.4623 9 C -2.4306 -0.8739 -0.0472 C.3 1 UNL1111111 0.1647 10 H -2.3893 -0.9885 -1.1536 H 1 UNL1111111 0.1409 11 C -2.5387 -2.2226 0.6541 C.3 1 UNL1111111 -0.4955 12 C -3.5213 0.1091 0.3907 C.3 1 UNL1111111 -0.3101 13 C -3.5187 1.3573 -0.4996 C.3 1 UNL1111111 -0.2441 14 C -4.6100 2.3378 -0.0713 C.3 1 UNL1111111 -0.4391 15 H 5.9454 1.9638 0.3778 H 1 UNL1111111 0.1417 16 H 6.1797 0.5097 1.3546 H 1 UNL1111111 0.1420 17 H 6.9995 0.6706 -0.2016 H 1 UNL1111111 0.1413 18 H 4.8001 0.5751 -1.4128 H 1 UNL1111111 0.1357 19 H 5.0365 -0.8782 -0.4379 H 1 UNL1111111 0.1365 20 H 3.6563 0.1694 1.4329 H 1 UNL1111111 0.1370 21 H 3.3985 1.5986 0.4284 H 1 UNL1111111 0.1366 22 H 2.3104 0.1296 -1.3594 H 1 UNL1111111 0.1514 23 H 2.5500 -1.2835 -0.3390 H 1 UNL1111111 0.1542 24 H 1.1524 -0.1658 1.5072 H 1 UNL1111111 0.1762 25 H 0.8798 1.2160 0.4434 H 1 UNL1111111 0.1765 26 H -2.4485 -2.1166 1.7416 H 1 UNL1111111 0.1580 27 H -3.4927 -2.7142 0.4389 H 1 UNL1111111 0.1547 28 H -1.7370 -2.8983 0.3226 H 1 UNL1111111 0.1677 29 H -4.5078 -0.3880 0.3560 H 1 UNL1111111 0.1477 30 H -3.3598 0.3982 1.4481 H 1 UNL1111111 0.1567 31 H -2.5262 1.8473 -0.4479 H 1 UNL1111111 0.1441 32 H -3.6614 1.0718 -1.5593 H 1 UNL1111111 0.1346 33 H -5.6075 1.8938 -0.1604 H 1 UNL1111111 0.1412 34 H -4.4799 2.6521 0.9705 H 1 UNL1111111 0.1426 35 H -4.5954 3.2421 -0.6903 H 1 UNL1111111 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