REMARK  Name = BDB021073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.216   0.400   1.025  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.397   1.447   1.929  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.627   1.804   2.329  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.680   2.152   2.474  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        1.969   1.769   2.085  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1        2.205   0.725   1.190  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.624   0.663   1.075  0.00  0.00    +0.104 A 
ATOM      8  N   LIG    1        4.226   1.578   1.845  0.00  0.00    -0.170 NA
ATOM      9  N   LIG    1        3.212   2.232   2.433  0.00  0.00    -0.266 N 
ATOM     10  C   LIG    1        3.503   3.306   3.353  0.00  0.00    +0.173 C 
ATOM     11  C   LIG    1        1.094   0.025   0.669  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  21
ATOM     12  C   LIG    1       -3.823   3.907  -1.603  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -4.728   2.700  -1.616  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1       -4.251   1.540  -1.020  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -3.069   1.517  -0.160  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -2.513   0.141  -0.047  0.00  0.00    +0.064 A 
ATOM     17  N   LIG    1       -3.180  -0.979  -0.505  0.00  0.00    -0.328 N 
ATOM     18  C   LIG    1       -2.378  -2.071  -0.308  0.00  0.00    +0.114 A 
ATOM     19  N   LIG    1       -1.249  -1.708   0.264  0.00  0.00    -0.232 NA
ATOM     20  C   LIG    1       -4.468  -0.910  -1.161  0.00  0.00    +0.142 C 
ATOM     21  C   LIG    1       -1.322  -0.349   0.454  0.00  0.00    +0.097 A 
ATOM     22  C   LIG    1       -5.168   0.411  -0.873  0.00  0.00    +0.129 C 
ATOM     23  O   LIG    1       -5.834   2.763  -2.154  0.00  0.00    -0.276 OA
BRANCH  18  24
ATOM     24  C   LIG    1       -2.597  -3.575  -0.666  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -3.849  -4.282  -0.224  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -3.581  -4.064  -1.688  0.00  0.00    +0.012 C 
ENDBRANCH  18  24
ENDBRANCH   1  21
BRANCH   7  27
ATOM     27  C   LIG    1        4.379  -0.264   0.231  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        5.723  -0.680   0.432  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1        6.663  -0.304   1.518  0.00  0.00    +0.068 C 
ATOM     30  N   LIG    1        6.123  -1.534  -0.525  0.00  0.00    -0.176 NA
ATOM     31  N   LIG    1        5.051  -1.648  -1.326  0.00  0.00    -0.274 N 
ATOM     32  C   LIG    1        5.126  -2.500  -2.488  0.00  0.00    +0.172 C 
ATOM     33  C   LIG    1        3.983  -0.905  -0.923  0.00  0.00    +0.118 A 
ENDBRANCH   7  27
TORSDOF 3