REMARK  Name = BDB006162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.287  -0.183   0.210  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.716  -0.886   1.456  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.733  -0.857   2.476  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.819  -1.220   3.638  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.411  -0.236   1.847  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.652   0.034   2.227  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.210   0.543   1.094  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        1.321   0.625   0.021  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.133   0.144   0.534  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.660   0.426  -2.412  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.650   1.412  -1.273  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -2.003   1.141  -0.039  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -2.076   2.121   0.978  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.737   3.335   0.778  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.348   3.591  -0.440  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.163   5.085  -0.694  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.310   2.641  -1.458  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.894  -1.685   1.520  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -2.928  -2.893   2.241  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -1.804  -3.389   2.782  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.093  -3.663   2.309  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -4.114  -5.153   3.175  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.248  -3.248   1.652  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.229  -2.068   0.915  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.061  -1.299   0.845  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.728   1.101  -1.346  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        1.585  -0.015  -2.379  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        0.970   2.356  -1.769  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.620   0.932   1.139  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.521  -0.075   0.465  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1        4.513  -1.424   0.854  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.358  -2.348   0.236  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.230  -1.933  -0.768  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.261  -0.594  -1.153  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        5.416   0.331  -0.536  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5