REMARK  Name = BDB020523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.401   0.806  -1.589  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        0.928   0.399  -1.280  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.007   1.004  -1.953  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.287   0.698  -1.701  0.00  0.00    -0.245 NA
ATOM      5  C   LIG    1        3.576  -0.259  -0.779  0.00  0.00    +0.100 A 
ATOM      6  C   LIG    1        2.598  -0.944  -0.073  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.746   1.967  -2.917  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.447   2.354  -3.242  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.265  -0.585  -0.324  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -0.626   1.773  -2.580  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.207   0.100   2.577  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.513   0.257   1.091  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.353  -0.042   0.273  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.487   0.922  -0.168  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.549   0.233  -0.909  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.830  -1.113  -0.908  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.694   2.329   0.216  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -4.127   2.593   0.271  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -4.540   3.980   0.147  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.933  -1.250  -0.204  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -5.020   1.678   0.826  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -6.175   1.985   1.133  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.635  -2.619   0.025  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.312  -3.402   1.271  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.818  -3.882  -0.062  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        4.998  -0.485  -0.578  0.00  0.00    +0.107 A 
ATOM     27  N   LIG    1        5.850  -0.958  -1.553  0.00  0.00    -0.234 NA
ATOM     28  C   LIG    1        7.032  -1.015  -0.981  0.00  0.00    +0.199 A 
ATOM     29  N   LIG    1        6.978  -0.595   0.316  0.00  0.00    -0.339 N 
ATOM     30  C   LIG    1        8.094  -0.539   1.223  0.00  0.00    +0.150 C 
ATOM     31  C   LIG    1        5.688  -0.244   0.593  0.00  0.00    +0.116 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.907  -2.000   0.941  0.00  0.00    +0.374 C 
ATOM     33  F   LIG    1        3.258  -1.475   2.150  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        3.911  -2.851   0.594  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4