REMARK  Name = BDB063248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.738   0.642  -0.304  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.776  -0.240   0.060  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.504   0.134  -0.115  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        0.835   1.343  -0.611  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1       -0.130   2.243  -0.946  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.415   1.889  -0.785  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.733  -1.515   1.667  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -3.581  -0.690   0.764  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -3.104   0.266  -0.135  0.00  0.00    -0.279 N 
ATOM     10  C   LIG    1       -4.222   0.760  -0.810  0.00  0.00    +0.075 A 
ATOM     11  C   LIG    1       -5.308   0.150  -0.182  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -6.618   0.448  -0.588  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -6.816   1.333  -1.651  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.728   1.895  -2.310  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.414   1.614  -1.914  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -4.898  -0.724   0.779  0.00  0.00    -0.232 NA
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1        1.452  -0.816   0.259  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1        0.982  -1.647   0.586  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.849  -0.861   0.210  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.649   0.168  -0.296  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        5.050   0.072  -0.305  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.680  -1.058   0.208  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1        4.896  -2.096   0.708  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.501  -1.996   0.714  0.00  0.00    +0.027 A 
BRANCH  22  25
ATOM     25  O   LIG    1        7.027  -1.278   0.260  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1        7.858  -0.147   0.066  0.00  0.00    +0.541 C 
ATOM     27  F   LIG    1        9.128  -0.523   0.365  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.854   0.190  -1.247  0.00  0.00    -0.166 F 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5