@MOLECULE 2-methyl-6-undecanone 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.7250 -0.2218 0.2076 C.3 1 UNL11111111 -0.4412 2 C 5.3981 0.4911 -0.0514 C.3 1 UNL11111111 -0.2491 3 C 4.2108 -0.4524 0.1851 C.3 1 UNL11111111 -0.2753 4 C 2.8892 0.2729 -0.0882 C.3 1 UNL11111111 -0.2519 5 C 1.6944 -0.6595 0.1294 C.3 1 UNL11111111 -0.3909 6 C 0.3963 0.0523 -0.1676 C.2 1 UNL11111111 0.4783 7 O 0.3658 1.1855 -0.5737 O.2 1 UNL11111111 -0.4534 8 C -0.8604 -0.7478 0.0765 C.3 1 UNL11111111 -0.3912 9 C -2.1074 0.0946 -0.2091 C.3 1 UNL11111111 -0.2489 10 C -3.3837 -0.6919 0.1065 C.3 1 UNL11111111 -0.2924 11 C -4.6463 0.1287 -0.2228 C.3 1 UNL11111111 -0.0577 12 C -5.8738 -0.7923 -0.2328 C.3 1 UNL11111111 -0.4588 13 C -4.8500 1.2565 0.7954 C.3 1 UNL11111111 -0.4541 14 H 6.7910 -0.5824 1.2400 H 1 UNL11111111 0.1413 15 H 6.8521 -1.0864 -0.4530 H 1 UNL11111111 0.1415 16 H 7.5751 0.4486 0.0387 H 1 UNL11111111 0.1417 17 H 5.3114 1.3777 0.6052 H 1 UNL11111111 0.1362 18 H 5.3728 0.8787 -1.0877 H 1 UNL11111111 0.1367 19 H 4.3016 -1.3424 -0.4646 H 1 UNL11111111 0.1349 20 H 4.2326 -0.8311 1.2236 H 1 UNL11111111 0.1346 21 H 2.7946 1.1642 0.5631 H 1 UNL11111111 0.1498 22 H 2.8722 0.6716 -1.1222 H 1 UNL11111111 0.1524 23 H 1.7852 -1.5557 -0.5157 H 1 UNL11111111 0.1636 24 H 1.6895 -1.0385 1.1701 H 1 UNL11111111 0.1625 25 H -0.8575 -1.6553 -0.5590 H 1 UNL11111111 0.1633 26 H -0.8775 -1.1125 1.1223 H 1 UNL11111111 0.1629 27 H -2.0711 1.0306 0.3835 H 1 UNL11111111 0.1523 28 H -2.1050 0.4252 -1.2665 H 1 UNL11111111 0.1499 29 H -3.3942 -1.6349 -0.4717 H 1 UNL11111111 0.1349 30 H -3.3980 -0.9899 1.1707 H 1 UNL11111111 0.1371 31 H -4.5291 0.5778 -1.2388 H 1 UNL11111111 0.1318 32 H -6.0141 -1.2833 0.7356 H 1 UNL11111111 0.1433 33 H -6.7881 -0.2299 -0.4510 H 1 UNL11111111 0.1443 34 H -5.7810 -1.5753 -0.9924 H 1 UNL11111111 0.1404 35 H -3.9899 1.9352 0.8168 H 1 UNL11111111 0.1466 36 H -5.7336 1.8561 0.5524 H 1 UNL11111111 0.1421 37 H -4.9853 0.8638 1.8083 H 1 UNL11111111 0.1427 @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 10 11 1 11 11 12 1 12 11 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 5 23 1 23 5 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 13 37 1