REMARK  Name = BDB062125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.987  -3.244   0.144  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.669  -2.800  -0.241  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.122  -1.550  -0.036  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.136  -1.641  -0.621  0.00  0.00    +0.099 A 
ATOM      5  N   LIG    1        0.328  -2.879  -1.193  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.765  -3.555  -0.931  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.135  -0.594  -0.713  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        1.527   0.169   0.389  0.00  0.00    +0.133 A 
ATOM      9  F   LIG    1        1.011  -0.058   1.607  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        2.490   1.171   0.267  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1        3.091   1.429  -0.971  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1        2.724   0.648  -2.076  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        1.757  -0.354  -1.946  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  C   LIG    1        4.155   2.488  -1.100  0.00  0.00    +0.113 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.480   1.939  -0.843  0.00  0.00    -0.326 NA
ATOM     16  H   LIG    1        5.492   1.524   0.088  0.00  0.00    +0.119 HD
ATOM     17  H   LIG    1        5.647   1.166  -1.486  0.00  0.00    +0.119 HD
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   3  18
ATOM     18  C   LIG    1       -1.823  -0.437   0.597  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.178   0.687  -0.157  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -2.845   1.760   0.444  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -3.157   1.716   1.806  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1       -2.800   0.597   2.564  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -2.135  -0.475   1.961  0.00  0.00    +0.011 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.838   2.817   2.424  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1       -4.394   3.705   2.923  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
ENDBRANCH   3  18
TORSDOF 5