@MOLECULE 4-methylpentanoyl hexanoate 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 7.1111 -1.1553 -0.0717 C.3 1 UNL11111111 -0.4433 2 C 5.9951 -0.1113 -0.0520 C.3 1 UNL11111111 -0.2481 3 C 4.6154 -0.7813 -0.1112 C.3 1 UNL11111111 -0.2703 4 C 3.5058 0.2731 -0.0393 C.3 1 UNL11111111 -0.2587 5 C 2.1267 -0.3894 -0.0915 C.3 1 UNL11111111 -0.3501 6 C 1.0571 0.6455 0.0905 C.2 1 UNL11111111 0.6320 7 O 1.1650 1.8072 0.3359 O.2 1 UNL11111111 -0.4217 8 O -0.1570 0.0109 -0.0620 O.3 1 UNL11111111 -0.5625 9 C -1.3828 0.6373 0.0279 C.2 1 UNL11111111 0.6309 10 O -1.5081 1.8098 0.2025 O.2 1 UNL11111111 -0.4206 11 C -2.4342 -0.4188 -0.1350 C.3 1 UNL11111111 -0.3492 12 C -3.8232 0.2248 -0.1458 C.3 1 UNL11111111 -0.2737 13 C -4.9350 -0.8267 -0.3185 C.3 1 UNL11111111 -0.0560 14 C -5.1054 -1.6638 0.9544 C.3 1 UNL11111111 -0.4551 15 C -6.2550 -0.1218 -0.6567 C.3 1 UNL11111111 -0.4560 16 H 8.0985 -0.6808 -0.0382 H 1 UNL11111111 0.1427 17 H 7.0436 -1.8320 0.7873 H 1 UNL11111111 0.1423 18 H 7.0723 -1.7687 -0.9785 H 1 UNL11111111 0.1419 19 H 6.0766 0.5090 0.8612 H 1 UNL11111111 0.1376 20 H 6.1146 0.5866 -0.9027 H 1 UNL11111111 0.1365 21 H 4.5238 -1.3738 -1.0404 H 1 UNL11111111 0.1363 22 H 4.5130 -1.5036 0.7203 H 1 UNL11111111 0.1370 23 H 3.6062 0.8730 0.8886 H 1 UNL11111111 0.1566 24 H 3.6115 1.0009 -0.8685 H 1 UNL11111111 0.1521 25 H 1.9808 -0.9287 -1.0516 H 1 UNL11111111 0.1784 26 H 2.0298 -1.1678 0.6960 H 1 UNL11111111 0.1787 27 H -2.2553 -0.9955 -1.0674 H 1 UNL11111111 0.1781 28 H -2.3474 -1.1620 0.6872 H 1 UNL11111111 0.1796 29 H -3.9860 0.8020 0.7859 H 1 UNL11111111 0.1574 30 H -3.8820 0.9736 -0.9617 H 1 UNL11111111 0.1536 31 H -4.6662 -1.5058 -1.1630 H 1 UNL11111111 0.1279 32 H -4.1865 -2.1979 1.2150 H 1 UNL11111111 0.1395 33 H -5.3795 -1.0390 1.8118 H 1 UNL11111111 0.1486 34 H -5.8946 -2.4135 0.8320 H 1 UNL11111111 0.1423 35 H -6.1770 0.4556 -1.5842 H 1 UNL11111111 0.1446 36 H -7.0683 -0.8434 -0.7880 H 1 UNL11111111 0.1423 37 H -6.5567 0.5685 0.1389 H 1 UNL11111111 0.1484 @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 2 10 9 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 13 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 4 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 14 34 1 34 15 35 1 35 15 36 1 36 15 37 1