REMARK  Name = BDB020227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.838  -0.755  -3.008  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -3.527  -0.705  -1.740  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.959  -0.524  -0.506  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -4.022  -0.545   0.388  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -3.760  -0.353   1.753  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.433  -0.163   2.168  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.354  -0.187   1.272  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -5.181  -0.766  -0.413  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1       -1.627  -0.336  -0.096  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -4.864  -0.874  -1.710  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -6.599  -0.899   0.063  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -7.123   0.447   0.533  0.00  0.00    +0.228 C 
ATOM     13  O   LIG    1       -6.920   0.877   1.669  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1       -7.852   1.188  -0.364  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1       -8.197   2.072  -0.017  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -8.427   0.753  -1.529  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.258   1.444  -2.115  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.976  -0.585  -2.053  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1       -7.585  -1.530  -0.925  0.00  0.00    +0.028 C 
ENDBRANCH   8  11
BRANCH   7  20
ATOM     20  N   LIG    1       -0.075   0.071   1.782  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1       -0.012  -0.197   2.762  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.137  -0.226   1.008  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1        2.275  -0.570   1.983  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        3.626  -0.525   1.286  0.00  0.00    +0.113 C 
ATOM     25  N   LIG    1        3.876   0.763   0.652  0.00  0.00    -0.267 N 
ATOM     26  C   LIG    1        5.130   1.129   0.192  0.00  0.00    +0.403 C 
ATOM     27  O   LIG    1        5.380   2.216  -0.310  0.00  0.00    -0.226 OA
ATOM     28  C   LIG    1        2.757   1.688   0.526  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1        1.492   0.959   0.090  0.00  0.00    +0.041 C 
BRANCH  26  30
ATOM     30  O   LIG    1        6.037   0.132   0.360  0.00  0.00    -0.445 OA
BRANCH  30  31
ATOM     31  C   LIG    1        7.418   0.298  -0.052  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        8.102   1.425   0.729  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        7.527   0.499  -1.567  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        8.094  -1.032   0.316  0.00  0.00    +0.055 C 
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 5