REMARK  Name = BDB063244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.253   0.817   0.115  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.187  -0.010  -0.031  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.041   0.520   0.112  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        1.226   1.826   0.380  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1        0.162   2.665   0.505  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.073   2.156   0.367  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1  15
ATOM      7  F   LIG    1       -2.039  -4.048  -2.346  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.753  -3.080  -1.754  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -2.083  -1.971  -1.236  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -2.857  -0.972  -0.616  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -4.244  -1.081  -0.541  0.00  0.00    +0.090 A 
ATOM     12  N   LIG    1       -4.789  -0.003   0.085  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1       -3.778   0.771   0.415  0.00  0.00    +0.119 A 
ATOM     14  C   LIG    1       -4.896  -2.207  -1.073  0.00  0.00    +0.033 A 
ATOM     15  N   LIG    1       -2.559   0.256  -0.021  0.00  0.00    -0.279 N 
ATOM     16  C   LIG    1       -4.133  -3.209  -1.679  0.00  0.00    +0.040 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -4.036   2.038   1.304  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1       -4.492   3.315   0.643  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -5.453   2.528   1.481  0.00  0.00    +0.012 C 
ENDBRANCH  13  17
ENDBRANCH   1  15
BRANCH   3  20
ATOM     20  N   LIG    1        2.093  -0.381  -0.034  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        1.721  -1.304  -0.209  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.484  -0.266   0.043  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        4.263  -1.418  -0.155  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.661  -1.377  -0.096  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.324  -0.174   0.171  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        5.558   0.982   0.359  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        4.158   0.932   0.298  0.00  0.00    +0.024 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.831  -0.117   0.214  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        8.397  -1.278   0.650  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.375   0.127  -1.010  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.308   0.859   1.037  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5