REMARK  Name = BDB057865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.527   0.380  -0.677  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1        4.993   0.367  -1.936  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        4.100   0.230  -2.918  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.726   0.103  -2.680  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        1.843  -0.068  -3.778  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.323  -0.093  -5.085  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.684   0.048  -5.313  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.339   0.151  -1.327  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        4.554   0.204  -4.231  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.237   0.267  -0.334  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        5.313   1.234   1.588  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        5.519   0.477   0.408  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        6.741  -0.222   0.280  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        7.714  -0.201   1.280  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.492   0.523   2.443  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.303   1.233   2.596  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1        3.654   2.763   0.722  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        4.064   2.058   1.813  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        3.000   1.321   2.236  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.238   3.006   2.785  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  21
ATOM     21  N   LIG    1        0.972   0.031  -0.999  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        0.438   0.707  -1.538  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.663   0.154   0.421  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.834   0.037   0.603  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -1.482  -1.183   0.367  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.865  -1.297   0.525  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.634  -0.194   0.922  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -2.984   1.028   1.148  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -1.600   1.143   0.991  0.00  0.00    +0.005 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.140  -0.292   1.096  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -5.558  -1.410   2.062  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -7.062  -1.373   2.350  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -7.896  -0.833   1.187  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -7.234  -1.097  -0.158  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1       -5.857  -0.432  -0.263  0.00  0.00    +0.008 C 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6