REMARK  Name = BDB056734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.515   0.813   1.248  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.059   0.307  -0.022  0.00  0.00    -0.313 N 
ATOM      3  C   LIG    1       -1.200   0.478  -0.528  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -1.178  -0.167  -1.758  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -2.347  -0.153  -2.526  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.453   0.510  -1.989  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -3.346   1.103  -0.728  0.00  0.00    +0.222 A 
ATOM      8  N   LIG    1        0.052  -0.721  -1.998  0.00  0.00    -0.227 NA
ATOM      9  N   LIG    1       -2.232   1.130   0.043  0.00  0.00    -0.193 NA
ATOM     10  C   LIG    1        0.794  -0.412  -0.944  0.00  0.00    +0.149 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -4.431   1.791  -0.216  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.528   1.029   0.121  0.00  0.00    +0.130 A 
ATOM     13  C   LIG    1       -6.780   1.575  -0.165  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -7.939   0.873   0.165  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.846  -0.369   0.794  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.596  -0.905   1.102  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.434  -0.204   0.773  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  18
ATOM     18  C   LIG    1        2.224  -0.803  -0.748  0.00  0.00    +0.303 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.959   0.393  -0.491  0.00  0.00    -0.484 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.300   0.264  -0.253  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        5.025  -0.929  -0.259  0.00  0.00    +0.060 A 
ATOM     22  C   LIG    1        6.403  -0.913   0.008  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1        7.051   0.298   0.279  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.328   1.488   0.282  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.958   1.467   0.017  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.214  -2.155   0.013  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        8.411  -2.225   0.224  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.486  -3.256  -0.244  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        7.144  -3.983  -0.213  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 7