REMARK  Name = BDB021712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.323  -0.405  -0.731  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.941   0.844  -0.656  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.315   0.806  -0.736  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.755  -0.075  -0.500  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.298   1.879  -0.509  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.205   1.901  -0.811  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -5.569   1.629  -0.639  0.00  0.00    +0.163 A 
ATOM      8  F   LIG    1       -5.950   0.360  -0.403  0.00  0.00    -0.202 F 
ATOM      9  C   LIG    1       -6.520   2.646  -0.707  0.00  0.00    +0.078 A 
ATOM     10 CL   LIG    1       -8.193   2.299  -0.490  0.00  0.00    -0.081 Cl
ATOM     11  C   LIG    1       -6.119   3.956  -0.955  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -4.765   4.239  -1.138  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.812   3.216  -1.069  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.638   0.920   0.340  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.016  -0.147   1.128  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.492  -0.169   1.000  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.123  -0.531  -0.443  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.026   0.175  -1.467  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.859   1.302  -0.852  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.095   0.792   0.104  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.689   2.190  -0.162  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.862   0.131   1.286  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.793  -0.814  -0.099  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.383  -0.004   1.121  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.973  -1.591  -1.300  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.369  -2.632  -0.277  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.483  -3.972  -0.682  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.882  -4.961   0.220  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.182  -4.623   1.537  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.086  -3.297   1.952  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.688  -2.307   1.050  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7