REMARK  Name = BDB012618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334  -0.274  -0.623  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.084  -1.460   0.038  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.177  -1.739  -0.204  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        1.760  -0.781  -0.983  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1        0.805   0.154  -1.274  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.929   0.551   0.042  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.703  -0.124   0.061  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.620   0.411  -0.628  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -1.696   1.572  -1.328  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -2.884   2.207  -1.335  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -4.013   1.745  -0.677  0.00  0.00    +0.030 A 
BRANCH   6  14
ATOM     12  F   LIG    1       -6.836   1.641   0.384  0.00  0.00    -0.182 F 
ATOM     13  C   LIG    1       -6.332   0.508   0.887  0.00  0.00    +0.237 A 
ATOM     14  C   LIG    1       -5.063  -0.005   0.760  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1       -5.015  -1.194   1.455  0.00  0.00    -0.127 NA
ATOM     16  N   LIG    1       -6.208  -1.420   1.996  0.00  0.00    -0.065 NA
ATOM     17  N   LIG    1       -6.999  -0.393   1.653  0.00  0.00    -0.232 N 
ATOM     18  H   LIG    1       -7.960  -0.378   1.973  0.00  0.00    +0.193 HD
ENDBRANCH   6  14
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  C   LIG    1        3.129  -0.785  -1.467  0.00  0.00    +0.159 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.072  -0.158  -0.466  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1        4.867  -0.910   0.423  0.00  0.00    +0.064 A 
ATOM     22 CL   LIG    1        4.817  -2.645   0.380  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        5.708  -0.253   1.340  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        6.718  -1.108   2.455  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.757   1.143   1.379  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        4.972   1.893   0.508  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.138   1.249  -0.404  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4