REMARK  Name = BDB021032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.638   5.739   2.082  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.476   4.424   1.508  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.241   4.122   0.926  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.238   4.041   1.056  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.166   2.759   0.536  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -1.934   2.431  -0.186  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -1.778   0.970  -0.414  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.679   0.037   0.037  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.220  -1.215  -0.287  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.087  -1.118  -0.954  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -3.878   0.398   0.759  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.799   0.222  -1.037  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.291   1.825   0.418  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -2.265   4.787   1.121  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.402   0.734  -1.671  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.696   0.331  -1.240  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.831   0.870  -1.874  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.110   0.488  -1.439  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        4.272  -0.407  -0.381  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1        3.196  -0.948   0.220  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1        2.669   1.779  -2.933  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.399   2.159  -3.363  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.961  -0.579  -0.207  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        0.271   1.639  -2.736  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  N   LIG    1        5.545  -0.790   0.036  0.00  0.00    -0.311 N 
ATOM     26  C   LIG    1        6.558   0.264   0.228  0.00  0.00    +0.134 C 
ATOM     27  C   LIG    1        7.163   0.197   1.641  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1        7.760  -1.070   1.951  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        7.047  -2.184   1.385  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1        5.584  -1.876   1.031  0.00  0.00    +0.134 C 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -2.916  -2.495   0.077  0.00  0.00    +0.059 C 
ATOM     32  C   LIG    1       -3.840  -2.956  -1.054  0.00  0.00    +0.039 C 
ATOM     33  C   LIG    1       -4.468  -4.298  -0.707  0.00  0.00    +0.160 C 
ATOM     34  O   LIG    1       -3.469  -5.275  -0.426  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -2.641  -4.913   0.679  0.00  0.00    +0.160 C 
ATOM     36  C   LIG    1       -1.910  -3.606   0.407  0.00  0.00    +0.039 C 
ENDBRANCH   9  31
TORSDOF 3