REMARK  Name = BDB061173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.925   0.193  -0.778  0.00  0.00    +0.103 A 
ATOM      2  C   LIG    1        1.214  -0.918  -1.317  0.00  0.00    +0.187 A 
ATOM      3  N   LIG    1       -0.158  -0.868  -1.251  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.595  -2.045  -1.786  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.431  -2.788  -2.129  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.870   0.192  -0.670  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.206   1.175  -0.122  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.574  -2.085  -1.816  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.173   1.145  -0.183  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1        3.430  -0.238  -3.114  0.00  0.00    -0.225 OA
ATOM     11  C   LIG    1        3.983  -0.131  -2.022  0.00  0.00    +0.413 C 
ATOM     12  N   LIG    1        3.320   0.215  -0.830  0.00  0.00    -0.228 N 
ATOM     13  C   LIG    1        4.080   0.941   0.175  0.00  0.00    +0.156 C 
ATOM     14  C   LIG    1        5.438   0.357   0.372  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.049  -0.240  -0.719  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        7.337  -0.760  -0.646  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        8.029  -0.684   0.561  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        7.432  -0.081   1.671  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.140   0.445   1.577  0.00  0.00    +0.009 A 
ATOM     20  O   LIG    1        5.376  -0.305  -1.946  0.00  0.00    -0.411 OA
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.249   0.153  -0.675  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.694  -0.379  -1.416  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.030   1.314  -0.279  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.472   0.921  -0.144  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.930   0.115   0.893  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.183  -0.544   1.993  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.360  -0.980   2.865  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.548  -1.069   2.045  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.266  -0.258   0.977  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.202   0.144   0.046  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.769   0.960  -0.999  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.422   1.339  -1.086  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.041   2.108  -2.115  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 4