REMARK  Name = BDB017982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.975   0.150  -0.260  0.00  0.00    -0.281 NA
ATOM      2  C   LIG    1       -0.444   0.419   0.094  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -0.762   0.623   1.563  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.249   1.919   1.758  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -1.634   2.397   2.993  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1       -1.522   1.523   4.073  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.036   0.215   3.904  0.00  0.00    +0.020 A 
ATOM      8 CL   LIG    1       -1.982   2.055   5.645  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -1.274   2.615   0.559  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -1.570   3.571   0.433  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -0.651  -0.244   2.639  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.810   1.835  -0.496  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1       -0.706   2.219  -1.651  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -1.265  -0.729  -0.555  0.00  0.00    +0.069 C 
ATOM     15  C   LIG    1       -0.313  -1.234  -1.649  0.00  0.00    +0.102 C 
ATOM     16  C   LIG    1       -0.659  -2.632  -2.122  0.00  0.00    +0.218 C 
ATOM     17  O   LIG    1       -1.534  -2.844  -2.958  0.00  0.00    -0.275 OA
ATOM     18  N   LIG    1       -0.033  -3.688  -1.523  0.00  0.00    -0.315 N 
ATOM     19  H   LIG    1       -0.301  -4.577  -1.932  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        1.278  -3.582  -0.934  0.00  0.00    +0.106 C 
ATOM     21  C   LIG    1        1.407  -2.319  -0.107  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.067  -1.112  -0.987  0.00  0.00    +0.072 C 
ENDROOT
BRANCH  14  23
ATOM     23  C   LIG    1       -2.693  -0.396  -0.952  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1       -3.723  -0.573  -0.014  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1       -3.419  -1.052   1.204  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -5.050  -0.266  -0.320  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1       -6.293  -0.485   0.852  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -5.376   0.228  -1.579  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.370   0.413  -2.526  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.041   0.105  -2.215  0.00  0.00    +0.007 A 
ENDBRANCH  14  23
BRANCH   1  31
ATOM     31  C   LIG    1        2.030   0.616   0.627  0.00  0.00    +0.092 C 
BRANCH  31  33
ATOM     32  C   LIG    1        4.201   1.796   1.055  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        3.385   1.044  -0.021  0.00  0.00    -0.025 C 
ATOM     34  C   LIG    1        3.147   2.000  -1.203  0.00  0.00    +0.012 C 
ATOM     35  C   LIG    1        4.238  -0.146  -0.489  0.00  0.00    +0.012 C 
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 3