REMARK  Name = BDB014739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.543  -4.230  -0.984  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.048  -2.821  -0.794  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.095  -1.823  -0.625  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.667  -2.045  -0.926  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.823  -0.964  -0.350  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.414  -0.815  -0.292  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.091   0.331   0.315  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.262   0.905   0.658  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.332   0.164   0.258  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.782   0.439   0.432  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.570  -0.425  -0.573  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.259  -2.599  -0.782  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.218   2.180   1.352  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.058   2.226   2.622  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -3.115   3.168   2.381  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.599   4.124   1.451  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -1.718   3.341   0.504  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.430  -1.740  -0.808  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.031  -2.558  -1.258  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.844  -1.808  -0.854  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.433  -2.910  -1.498  0.00  0.00    +0.147 A 
ATOM     22  F   LIG    1        1.638  -3.849  -2.038  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        3.808  -3.063  -1.594  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        4.632  -2.093  -1.037  0.00  0.00    +0.134 A 
ATOM     25  F   LIG    1        5.958  -2.262  -1.153  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.102  -0.970  -0.387  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        2.701  -0.847  -0.301  0.00  0.00    +0.037 A 
BRANCH  26  28
ATOM     28  C   LIG    1        4.978   0.040   0.193  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        4.629   1.352   0.447  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        5.733   1.952   0.979  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        5.857   3.325   1.403  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        6.788   1.128   1.092  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.331  -0.031   0.609  0.00  0.00    +0.143 A 
ENDBRANCH  26  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4