REMARK  Name = BDB013191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.010  -0.205   0.150  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.404   1.017   0.566  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.056   1.163   0.343  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.256   2.421   0.766  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.812   2.997   1.270  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.735   0.172  -0.243  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.186  -0.940  -0.649  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.862   2.115   1.137  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.172  -1.094  -0.437  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.948   0.369   2.740  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.263  -0.247   1.426  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.408  -0.494   0.316  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.221  -1.093  -0.625  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        5.462  -1.161  -0.065  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        5.513  -0.670   1.184  0.00  0.00    -0.176 NA
BRANCH  14  16
ATOM     16  C   LIG    1        6.670  -1.678  -0.681  0.00  0.00    +0.171 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.626  -0.561  -1.078  0.00  0.00    +0.179 C 
BRANCH  17  18
ATOM     18  O   LIG    1        7.124   0.175  -2.193  0.00  0.00    -0.393 OA
ATOM     19  H   LIG    1        6.462   0.800  -1.843  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.086   0.363  -0.422  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.412  -0.339  -1.084  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.967   0.329   0.743  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.360   0.690   0.324  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.265  -0.245  -0.169  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.142  -1.716  -0.320  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.380  -1.984  -1.175  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.324  -0.906  -0.987  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.547   0.134  -0.547  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.988   1.439  -0.460  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.091   2.397   0.012  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.796   2.020   0.393  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.961   2.966   0.847  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7