REMARK  Name = BDB014851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.403   2.660   1.919  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.902   2.563   1.824  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.375   1.623   0.947  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.906   1.631   0.810  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.427   0.388   0.150  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.113  -0.108  -0.066  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.161  -1.278  -0.714  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.464  -1.520  -0.928  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1       -3.265  -0.549  -0.415  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.745  -0.469  -0.411  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.158   0.995  -0.142  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.189   3.292   2.515  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -0.014   0.557   0.368  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.163   1.405   0.901  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.365   0.295   0.206  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.288   1.104   0.889  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.668   0.889   0.782  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.169  -0.147  -0.011  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.256  -0.958  -0.693  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.876  -0.740  -0.581  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.597  -0.381  -0.141  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.548  -0.078   0.814  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.749  -0.473   0.300  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        9.041  -0.367   0.933  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.656  -1.017  -0.926  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.348  -0.963  -1.190  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.850  -2.759  -1.560  0.00  0.00    +0.256 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.008  -2.602  -3.047  0.00  0.00    +0.409 C 
ATOM     29  F   LIG    1       -3.420  -3.777  -3.588  0.00  0.00    -0.169 F 
ATOM     30  F   LIG    1       -1.867  -2.258  -3.674  0.00  0.00    -0.169 F 
ATOM     31  F   LIG    1       -3.953  -1.684  -3.358  0.00  0.00    -0.169 F 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5