@MOLECULE 1-(1,1-dimethylpropoxy)-4-methyl-pentane 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.1753 2.0601 0.0920 C.3 1 UNL11111111 -0.4287 2 C -3.3987 0.6586 0.6555 C.3 1 UNL11111111 -0.2850 3 C -2.5000 -0.4023 -0.0272 C.3 1 UNL11111111 0.3175 4 C -2.7448 -1.7783 0.6106 C.3 1 UNL11111111 -0.5122 5 C -2.7196 -0.4575 -1.5423 C.3 1 UNL11111111 -0.5047 6 O -1.2003 0.0670 0.2904 O.3 1 UNL11111111 -0.4357 7 C -0.1038 -0.6873 -0.2006 C.3 1 UNL11111111 -0.0338 8 C 1.1187 0.0915 0.3016 C.3 1 UNL11111111 -0.2936 9 C 2.4060 -0.5647 -0.2029 C.3 1 UNL11111111 -0.2855 10 C 3.6572 0.1517 0.3419 C.3 1 UNL11111111 -0.0541 11 C 4.8997 -0.7116 0.0844 C.3 1 UNL11111111 -0.4588 12 C 3.8351 1.5256 -0.3142 C.3 1 UNL11111111 -0.4537 13 H -2.1076 2.3208 0.1095 H 1 UNL11111111 0.1599 14 H -3.5158 2.1408 -0.9452 H 1 UNL11111111 0.1381 15 H -3.7097 2.8141 0.6791 H 1 UNL11111111 0.1367 16 H -3.1775 0.6596 1.7418 H 1 UNL11111111 0.1485 17 H -4.4576 0.3638 0.5503 H 1 UNL11111111 0.1367 18 H -3.8056 -2.0442 0.5841 H 1 UNL11111111 0.1512 19 H -2.1944 -2.5712 0.0961 H 1 UNL11111111 0.1486 20 H -2.4209 -1.7789 1.6582 H 1 UNL11111111 0.1594 21 H -2.3142 0.4414 -2.0232 H 1 UNL11111111 0.1613 22 H -2.2329 -1.3245 -1.9978 H 1 UNL11111111 0.1461 23 H -3.7857 -0.5133 -1.7833 H 1 UNL11111111 0.1521 24 H -0.1371 -1.7094 0.2112 H 1 UNL11111111 0.1134 25 H -0.1377 -0.7283 -1.3018 H 1 UNL11111111 0.1139 26 H 1.0494 1.1431 -0.0373 H 1 UNL11111111 0.1521 27 H 1.1024 0.1374 1.4069 H 1 UNL11111111 0.1501 28 H 2.4275 -1.6279 0.1037 H 1 UNL11111111 0.1359 29 H 2.4268 -0.5678 -1.3085 H 1 UNL11111111 0.1385 30 H 3.5406 0.2910 1.4437 H 1 UNL11111111 0.1304 31 H 5.0451 -0.8937 -0.9855 H 1 UNL11111111 0.1436 32 H 5.8055 -0.2243 0.4604 H 1 UNL11111111 0.1422 33 H 4.8212 -1.6847 0.5799 H 1 UNL11111111 0.1408 34 H 2.9802 2.1796 -0.1096 H 1 UNL11111111 0.1454 35 H 4.7318 2.0308 0.0592 H 1 UNL11111111 0.1403 36 H 3.9325 1.4413 -1.4015 H 1 UNL11111111 0.1433 @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 8 9 1 9 9 10 1 10 10 11 1 11 10 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 7 24 1 24 7 25 1 25 8 26 1 26 8 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1