@MOLECULE 3-methyl-1-propoxybutane 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6310 0.1342 -0.0411 C.3 1 UNL111111111 -0.4382 2 C 3.2625 -0.4797 -0.3178 C.3 1 UNL111111111 -0.2717 3 C 2.1520 0.3952 0.2748 C.3 1 UNL111111111 -0.0391 4 O 0.9575 -0.3059 -0.0449 O.3 1 UNL111111111 -0.4138 5 C -0.2161 0.3641 0.3981 C.3 1 UNL111111111 -0.0391 6 C -1.3556 -0.5006 -0.1494 C.3 1 UNL111111111 -0.3100 7 C -2.7270 0.0227 0.3060 C.3 1 UNL111111111 -0.0574 8 C -3.0695 1.3474 -0.3868 C.3 1 UNL111111111 -0.4544 9 C -3.8046 -1.0230 -0.0098 C.3 1 UNL111111111 -0.4537 10 H 4.7203 1.1357 -0.4772 H 1 UNL111111111 0.1427 11 H 4.8259 0.2211 1.0339 H 1 UNL111111111 0.1428 12 H 5.4318 -0.4807 -0.4689 H 1 UNL111111111 0.1455 13 H 3.0978 -0.6014 -1.4063 H 1 UNL111111111 0.1495 14 H 3.1953 -1.5013 0.1049 H 1 UNL111111111 0.1498 15 H 2.2413 0.4913 1.3701 H 1 UNL111111111 0.1126 16 H 2.1293 1.3981 -0.1845 H 1 UNL111111111 0.1123 17 H -0.2181 0.4051 1.5007 H 1 UNL111111111 0.1125 18 H -0.2391 1.3883 -0.0111 H 1 UNL111111111 0.1132 19 H -1.2975 -0.5400 -1.2534 H 1 UNL111111111 0.1535 20 H -1.2094 -1.5463 0.1864 H 1 UNL111111111 0.1537 21 H -2.7038 0.1884 1.4104 H 1 UNL111111111 0.1281 22 H -3.0798 1.2373 -1.4769 H 1 UNL111111111 0.1469 23 H -4.0576 1.7093 -0.0832 H 1 UNL111111111 0.1424 24 H -2.3437 2.1293 -0.1420 H 1 UNL111111111 0.1398 25 H -3.6017 -1.9729 0.4966 H 1 UNL111111111 0.1433 26 H -4.7936 -0.6823 0.3141 H 1 UNL111111111 0.1423 27 H -3.8621 -1.2267 -1.0845 H 1 UNL111111111 0.1464 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 9 27 1