@MOLECULE 1-propanol 12 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 H -2.7385 0.6184 -0.0009 H 1 UNL1 0.1465 2 C -1.9420 -0.1356 -0.0035 C.3 1 UNL1 -0.4398 3 H -2.0937 -0.7715 0.8762 H 1 UNL1 0.1429 4 H -2.0893 -0.7596 -0.8925 H 1 UNL1 0.1429 5 C -0.5657 0.5201 0.0039 C.3 1 UNL1 -0.2730 6 H -0.4396 1.1859 -0.8727 H 1 UNL1 0.1524 7 H -0.4452 1.1785 0.8867 H 1 UNL1 0.1519 8 C 0.5370 -0.5425 0.0038 C.3 1 UNL1 0.0044 9 H 0.5078 -1.1718 0.9095 H 1 UNL1 0.1096 10 H 0.5006 -1.1788 -0.8968 H 1 UNL1 0.1096 11 O 1.7492 0.2005 -0.0034 O.3 1 UNL1 -0.5556 12 H 2.5162 -0.3999 -0.0069 H 1 UNL1 0.3081 @BOND 1 10 8 1 2 4 2 1 3 6 5 1 4 12 11 1 5 2 1 1 6 2 5 1 7 2 3 1 8 11 8 1 9 8 5 1 10 8 9 1 11 5 7 1