@MOLECULE (E)-3,3,7,7-tetramethylnon-4-ene 39 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1214 -1.6738 0.1288 C.3 1 UNL11111111 -0.4341 2 C 2.7360 -1.1933 -0.2981 C.3 1 UNL11111111 -0.2689 3 C 2.5047 0.3263 -0.0887 C.3 1 UNL11111111 0.1024 4 C 2.6773 0.7000 1.3905 C.3 1 UNL11111111 -0.4582 5 C 3.4939 1.1535 -0.9303 C.3 1 UNL11111111 -0.4587 6 C 1.1109 0.6115 -0.5923 C.2 1 UNL11111111 -0.2095 7 C 0.0396 0.8152 0.1780 C.2 1 UNL11111111 -0.1444 8 C -1.3208 1.0650 -0.3889 C.3 1 UNL11111111 -0.3144 9 C -2.3674 0.0215 0.0949 C.3 1 UNL11111111 0.1216 10 C -1.8504 -1.3934 -0.1975 C.3 1 UNL11111111 -0.4608 11 C -2.6112 0.1881 1.6013 C.3 1 UNL11111111 -0.4638 12 C -3.6736 0.2952 -0.6935 C.3 1 UNL11111111 -0.2818 13 C -4.8247 -0.6452 -0.3387 C.3 1 UNL11111111 -0.4337 14 H 4.9150 -1.1523 -0.4171 H 1 UNL11111111 0.1421 15 H 4.2933 -1.5122 1.1983 H 1 UNL11111111 0.1425 16 H 4.2402 -2.7460 -0.0644 H 1 UNL11111111 0.1378 17 H 2.5725 -1.4402 -1.3647 H 1 UNL11111111 0.1355 18 H 1.9605 -1.7511 0.2620 H 1 UNL11111111 0.1378 19 H 3.7212 0.6010 1.7062 H 1 UNL11111111 0.1454 20 H 2.3779 1.7382 1.5716 H 1 UNL11111111 0.1460 21 H 2.0768 0.0557 2.0406 H 1 UNL11111111 0.1439 22 H 3.4798 0.8498 -1.9815 H 1 UNL11111111 0.1425 23 H 3.2462 2.2196 -0.8866 H 1 UNL11111111 0.1459 24 H 4.5200 1.0387 -0.5677 H 1 UNL11111111 0.1447 25 H 1.0327 0.6176 -1.6791 H 1 UNL11111111 0.1441 26 H 0.0882 0.8148 1.2647 H 1 UNL11111111 0.1456 27 H -1.6563 2.0826 -0.1026 H 1 UNL11111111 0.1469 28 H -1.2934 1.0629 -1.4965 H 1 UNL11111111 0.1433 29 H -0.8841 -1.5706 0.2895 H 1 UNL11111111 0.1498 30 H -2.5440 -2.1580 0.1652 H 1 UNL11111111 0.1427 31 H -1.7084 -1.5518 -1.2712 H 1 UNL11111111 0.1439 32 H -2.9987 1.1843 1.8362 H 1 UNL11111111 0.1421 33 H -3.3360 -0.5449 1.9708 H 1 UNL11111111 0.1450 34 H -1.6892 0.0449 2.1745 H 1 UNL11111111 0.1454 35 H -3.9899 1.3413 -0.5187 H 1 UNL11111111 0.1337 36 H -3.4642 0.2186 -1.7780 H 1 UNL11111111 0.1345 37 H -4.5575 -1.6936 -0.5107 H 1 UNL11111111 0.1434 38 H -5.1192 -0.5459 0.7116 H 1 UNL11111111 0.1422 39 H -5.7088 -0.4285 -0.9488 H 1 UNL11111111 0.1375 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 7 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 4 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 5 24 1 24 6 25 1 25 7 26 1 26 8 27 1 27 8 28 1 28 10 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 11 34 1 34 12 35 1 35 12 36 1 36 13 37 1 37 13 38 1 38 13 39 1