REMARK  Name = BDB017658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.738   0.695   2.634  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.429  -0.118   1.404  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -3.304  -0.261   0.299  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.935  -1.187  -0.701  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.829  -1.512  -1.727  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.593  -2.221  -2.408  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.094  -1.017  -1.817  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.459   0.053  -0.858  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.798   0.711  -1.072  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -7.198   1.620   0.092  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.011   2.461   0.537  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -4.891   1.586   0.869  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.050   2.113   1.090  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -5.870  -1.410  -2.683  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.704  -1.853  -0.687  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.803  -1.638   0.354  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.601   0.458   0.103  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.184  -0.785   1.396  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        0.532  -2.351   0.387  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.676  -1.433   0.504  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.916  -2.193   0.778  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        4.171  -1.293   0.866  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.320  -0.498  -0.372  0.00  0.00    -0.313 N 
ATOM     24  C   LIG    1        3.101   0.288  -0.665  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        1.866  -0.640  -0.736  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.492   0.281  -0.388  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        5.408   1.627  -0.495  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        6.554   2.350  -0.528  0.00  0.00    +0.131 A 
ATOM     29  C   LIG    1        7.820   1.795  -0.469  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        7.911   0.412  -0.377  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        6.739  -0.347  -0.341  0.00  0.00    +0.045 A 
BRANCH  29  32
ATOM     32  C   LIG    1        8.982   2.622  -0.510  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        9.928   3.293  -0.541  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 4