REMARK  Name = BDB050601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.826  -0.109   0.056  0.00  0.00    -0.033 C 
ATOM      2  C   LIG    1       -0.616   0.168   0.033  0.00  0.00    -0.015 A 
ATOM      3  C   LIG    1       -1.250  -0.758  -0.811  0.00  0.00    -0.036 A 
ATOM      4  C   LIG    1       -2.620  -0.734  -1.023  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -3.365   0.246  -0.367  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.730   1.167   0.475  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -3.468   2.098   1.095  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.234  -1.694  -1.385  0.00  0.00    +0.063 C 
ATOM      9  C   LIG    1       -1.353   1.140   0.686  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.029  -1.169  -0.749  0.00  0.00    -0.018 C 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.768   0.715   0.873  0.00  0.00    +0.155 C 
BRANCH  11  13
ATOM     12  O   LIG    1        3.839  -0.120  -0.192  0.00  0.00    -0.251 OA
ATOM     13  C   LIG    1        3.250   0.412   0.733  0.00  0.00    +0.309 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.953   0.877   1.791  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1        4.881   0.649   1.572  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 3