REMARK  Name = BDB013096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.043  -0.100   0.007  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.198   0.644  -0.863  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.843   0.460  -0.731  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.274   1.220  -1.710  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.205   1.881  -2.360  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.275  -0.385   0.225  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.048  -1.076   1.018  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.422   1.517  -1.826  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.414  -0.909   0.891  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  F   LIG    1        4.795  -2.379   0.071  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.340  -1.152   0.043  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        4.524  -0.013   0.012  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        5.153   1.242  -0.045  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.548   1.345  -0.052  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.337   0.198  -0.008  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.731  -1.055   0.037  0.00  0.00    +0.039 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.093  -0.521   0.333  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.261  -1.329   0.935  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.880   0.591   0.867  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.319   0.184   1.004  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.103  -0.199  -0.080  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.748  -0.363  -1.511  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.150  -0.504  -2.103  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.057  -0.946  -1.068  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.429  -0.577   0.093  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.037  -0.593   1.332  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.277  -0.198   2.432  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -3.941   0.186   2.261  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.243   0.558   3.344  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4