REMARK  Name = BDB029283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.494   1.478   0.580  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.507   2.588  -0.481  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.169   2.417  -1.179  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.704   1.835  -0.071  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.150   0.954   0.679  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        3.698  -2.275  -1.645  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        3.468  -1.361  -0.598  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1        4.020  -1.130   0.693  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.354  -0.059   1.248  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        2.408   0.371   0.342  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        2.467  -0.415  -0.784  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1        1.694  -0.286  -1.875  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        1.988  -1.210  -2.803  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        2.926  -2.172  -2.753  0.00  0.00    -0.220 NA
BRANCH   6  16
ATOM     15  C   LIG    1        5.144  -3.796  -2.820  0.00  0.00    +0.127 C 
ATOM     16  N   LIG    1        4.679  -3.266  -1.555  0.00  0.00    -0.332 N 
ATOM     17  H   LIG    1        5.412  -3.009  -0.905  0.00  0.00    +0.147 HD
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        1.547   3.884   0.148  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        1.049   4.469  -0.464  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -0.318   3.665  -1.676  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1       -1.232   3.478  -1.982  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -1.926   1.094  -0.640  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.914   0.687   0.438  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -2.947  -0.645   0.885  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.854  -0.969   1.867  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -4.370  -2.087   2.724  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1       -5.342  -1.030   3.342  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1       -4.705  -0.041   2.412  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -4.703   1.274   2.013  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.793   1.638   1.016  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  31
ATOM     31  O   LIG    1       -2.592   1.922  -1.608  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -3.480   1.534  -1.727  0.00  0.00    +0.210 HD
ENDBRANCH  22  31
ENDBRANCH   4  22
TORSDOF 7