@MOLECULE 2-(1,1-dimethylpropoxy)-2-methyl-pentane 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2326 1.6103 -1.4356 C.3 1 UNL11111111 -0.4285 2 C -2.0743 1.5034 0.0789 C.3 1 UNL11111111 -0.2863 3 C -1.4732 0.1374 0.5205 C.3 1 UNL11111111 0.3428 4 C -1.2564 0.1602 2.0442 C.3 1 UNL11111111 -0.5120 5 C -2.3806 -1.0238 0.1168 C.3 1 UNL11111111 -0.5053 6 O -0.2258 0.1695 -0.1380 O.3 1 UNL11111111 -0.4816 7 C 0.6291 -0.9349 -0.3391 C.3 1 UNL11111111 0.3394 8 C 0.7818 -1.8662 0.8632 C.3 1 UNL11111111 -0.5068 9 C 0.1689 -1.7208 -1.5795 C.3 1 UNL11111111 -0.5093 10 C 1.9692 -0.2157 -0.6649 C.3 1 UNL11111111 -0.3079 11 C 2.4248 0.7014 0.4753 C.3 1 UNL11111111 -0.2414 12 C 3.6809 1.4786 0.0816 C.3 1 UNL11111111 -0.4393 13 H -1.2910 1.3540 -1.9416 H 1 UNL11111111 0.1592 14 H -3.0051 0.9338 -1.8139 H 1 UNL11111111 0.1360 15 H -2.5023 2.6286 -1.7344 H 1 UNL11111111 0.1365 16 H -1.4039 2.3107 0.4347 H 1 UNL11111111 0.1473 17 H -3.0455 1.6520 0.5807 H 1 UNL11111111 0.1357 18 H -2.1222 0.5791 2.5644 H 1 UNL11111111 0.1490 19 H -1.0829 -0.8387 2.4509 H 1 UNL11111111 0.1491 20 H -0.3831 0.7756 2.2918 H 1 UNL11111111 0.1592 21 H -2.4821 -1.0815 -0.9731 H 1 UNL11111111 0.1593 22 H -1.9980 -1.9865 0.4674 H 1 UNL11111111 0.1480 23 H -3.3843 -0.8958 0.5360 H 1 UNL11111111 0.1516 24 H -0.1366 -2.4223 1.0723 H 1 UNL11111111 0.1494 25 H 1.5763 -2.5995 0.6854 H 1 UNL11111111 0.1532 26 H 1.0468 -1.3064 1.7674 H 1 UNL11111111 0.1581 27 H -0.1892 -1.0313 -2.3534 H 1 UNL11111111 0.1590 28 H 0.9873 -2.3096 -2.0029 H 1 UNL11111111 0.1489 29 H -0.6480 -2.4091 -1.3502 H 1 UNL11111111 0.1492 30 H 2.7431 -0.9682 -0.8897 H 1 UNL11111111 0.1386 31 H 1.8316 0.3847 -1.5851 H 1 UNL11111111 0.1497 32 H 1.6060 1.4044 0.7312 H 1 UNL11111111 0.1515 33 H 2.6167 0.1124 1.3903 H 1 UNL11111111 0.1287 34 H 3.4986 2.1133 -0.7928 H 1 UNL11111111 0.1427 35 H 4.0132 2.1306 0.8965 H 1 UNL11111111 0.1381 36 H 4.5085 0.8049 -0.1640 H 1 UNL11111111 0.1384 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 5 23 1 23 8 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1