REMARK  Name = BDB032028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.513  -0.077  -0.459  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.196  -0.012  -0.186  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.583  -0.698  -1.024  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.980  -0.814  -0.985  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.399  -1.638  -2.052  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.229  -2.013  -2.743  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.161  -2.856  -3.901  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.541  -1.966  -2.328  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.139  -1.432  -2.099  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        1.199  -1.450  -2.314  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        2.036  -0.772  -1.499  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.816  -0.190   0.023  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -3.814   0.796  -0.606  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -4.709   1.439   0.451  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -5.435   0.410   1.331  0.00  0.00    +0.063 C 
ATOM     16  C   LIG    1       -6.551  -0.311   0.567  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -4.430  -0.584   1.934  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -3.533  -1.238   0.886  0.00  0.00    +0.028 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -6.042   1.109   2.422  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -6.697   1.728   2.054  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.320   0.649   0.414  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        1.723   1.076   1.107  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        3.286   2.534   2.404  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        4.200   1.721   1.526  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        3.704   0.805   0.576  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.641   0.113  -0.206  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        6.016   0.280  -0.066  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1        6.501   1.190   0.898  0.00  0.00    +0.090 A 
ATOM     29  N   LIG    1        7.822   1.393   1.080  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        8.652   0.678   0.291  0.00  0.00    +0.131 A 
ATOM     31  C   LIG    1        8.182  -0.212  -0.652  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        6.864  -0.426  -0.845  0.00  0.00    -0.252 NA
ATOM     33  C   LIG    1        5.589   1.891   1.671  0.00  0.00    +0.035 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4