REMARK  Name = BDB006123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.700   0.752  -0.986  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1        0.893  -0.259  -0.465  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.272   0.392  -0.122  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.618   0.209   0.481  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -2.120   1.616   0.536  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1       -1.204   2.543  -0.027  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1       -1.299   3.753  -0.153  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.066   1.736  -0.412  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        1.117   1.984  -0.962  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -3.395   1.953   1.094  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -4.119   1.057   1.903  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1       -3.594  -0.132   2.239  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -5.374   1.390   2.423  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1       -6.234   0.271   3.413  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -5.941   2.631   2.155  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.242   3.539   1.368  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -3.985   3.203   0.847  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -2.402  -0.676  -0.474  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1       -2.855  -1.934  -0.036  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.589  -2.771  -0.881  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.883  -2.359  -2.177  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -4.782  -3.390  -3.220  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -3.455  -1.116  -2.634  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.723  -0.278  -1.787  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   2  25
ATOM     25  C   LIG    1        1.331  -1.692  -0.351  0.00  0.00    +0.032 C 
ATOM     26  C   LIG    1        0.784  -2.530  -1.505  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        0.953  -2.300   1.000  0.00  0.00    +0.014 C 
ENDBRANCH   2  25
BRANCH   1  28
ATOM     28  C   LIG    1        3.043   0.628  -1.559  0.00  0.00    +0.198 C 
BRANCH  28  34
ATOM     29  C   LIG    1        6.040   1.066   2.564  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        5.417   0.693   1.273  0.00  0.00    +0.060 A 
ATOM     31  N   LIG    1        5.964  -0.258   0.508  0.00  0.00    -0.176 NA
ATOM     32  N   LIG    1        5.167  -0.318  -0.572  0.00  0.00    -0.269 N 
ATOM     33  C   LIG    1        5.506  -1.232  -1.638  0.00  0.00    +0.172 C 
ATOM     34  C   LIG    1        4.092   0.531  -0.504  0.00  0.00    +0.060 A 
ATOM     35  C   LIG    1        4.250   1.221   0.683  0.00  0.00    +0.049 A 
ENDBRANCH  28  34
ENDBRANCH   1  28
TORSDOF 5