REMARK  Name = BDB013220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.742   0.096  -0.291  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.004   0.198   0.922  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.363   0.102   0.833  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.819   0.162   2.117  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.812   0.348   2.940  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.042  -0.061  -0.377  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.367  -0.167  -1.490  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.341   0.369   2.185  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.010  -0.074  -1.416  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.039   0.388  -0.536  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        4.356  -0.618  -1.231  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.963  -0.720  -1.153  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.219   0.193  -0.391  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.907   1.195   0.307  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.300   1.296   0.232  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.547   0.502  -0.628  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.115  -1.021   1.175  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.256  -0.735  -0.255  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        8.674  -0.622  -0.601  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -3.419  -0.135  -0.417  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.670  -0.464  -1.351  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.206   1.068  -0.147  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.675   0.775  -0.308  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -6.365  -0.237   0.402  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -7.733  -0.399   0.197  0.00  0.00    +0.135 A 
ATOM     26  O   LIG    1       -8.214  -1.415   0.963  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1       -7.165  -1.916   1.663  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1       -8.497   0.376  -0.671  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -7.817   1.378  -1.364  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -6.012  -1.232   1.359  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1       -6.448   1.568  -1.179  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.854   2.555  -1.867  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6