REMARK  Name = BDB021714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.629   0.039  -0.574  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.650  -0.903  -0.806  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.812  -0.668  -0.100  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.949   0.290   0.188  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.499  -1.838  -1.589  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.943  -1.503  -0.012  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        5.111  -0.947   0.525  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        6.292  -1.705   0.666  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1        6.277  -3.045   0.267  0.00  0.00    +0.053 A 
ATOM     10 CL   LIG    1        7.667  -4.060   0.401  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.112  -3.609  -0.258  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.952  -2.842  -0.397  0.00  0.00    +0.025 A 
BRANCH   8  13
ATOM     13  C   LIG    1        7.529  -1.069   1.238  0.00  0.00    +0.419 C 
ATOM     14  F   LIG    1        7.346   0.243   1.573  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        7.959  -1.671   2.381  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.582  -1.075   0.376  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1       -3.236   0.577  -0.236  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1       -2.882   1.005  -1.585  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -1.366   1.165  -1.679  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.624  -0.142  -1.348  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -1.545  -1.215  -0.743  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -2.605  -0.662   0.210  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.639   0.801   0.139  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -4.920   0.503   1.619  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.718   0.232  -0.819  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.285  -2.146  -0.042  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.721  -1.264  -1.144  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.567   0.810   0.677  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.438   2.051   0.700  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        1.861   2.562   1.937  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.659   3.705   2.000  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.039   4.357   0.830  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        2.615   3.870  -0.404  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        1.814   2.729  -0.469  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8