REMARK  Name = BDB063241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.369   0.982  -0.141  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.394   0.053  -0.286  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.876   0.452  -0.094  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        1.185   1.726   0.213  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1        0.209   2.669   0.329  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.065   2.292   0.146  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.171  -0.490  -1.107  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -2.725   0.580  -0.328  0.00  0.00    -0.279 N 
ATOM      9  C   LIG    1       -3.868   1.160   0.229  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -4.932   0.458  -0.337  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -6.258   0.797  -0.018  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -6.495   1.823   0.900  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -5.426   2.477   1.495  0.00  0.00    +0.125 A 
ATOM     14  F   LIG    1       -5.670   3.436   2.398  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -4.099   2.163   1.190  0.00  0.00    +0.066 A 
ATOM     16  N   LIG    1       -4.489  -0.536  -1.153  0.00  0.00    -0.232 NA
BRANCH   7  18
ATOM     17  C   LIG    1       -1.962  -2.676  -1.092  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -2.309  -1.430  -1.892  0.00  0.00    +0.071 C 
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  N   LIG    1        1.834  -0.549  -0.235  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        1.376  -1.423  -0.447  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.228  -0.577  -0.128  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.890  -1.801  -0.319  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        5.283  -1.903  -0.228  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        6.060  -0.773   0.051  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        5.409   0.450   0.250  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        4.014   0.544   0.158  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.560  -0.879   0.172  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        7.957  -1.180   1.440  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        8.092  -1.847  -0.625  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.209   0.272  -0.160  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5