REMARK  Name = BDB017547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.544   1.452   0.316  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -2.225   1.199  -0.883  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.538   0.723  -0.862  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.208   0.477   0.346  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -5.596  -0.045   0.297  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -6.244  -0.383   1.483  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -5.606  -0.693   2.211  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -7.490  -1.142   1.460  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -8.372  -0.633   0.326  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -7.623  -0.686  -1.010  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.204  -0.196  -0.897  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -5.492   0.090  -2.172  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -6.034  -0.059  -3.264  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -3.532   0.765   1.540  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -4.197   0.509  -2.076  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -3.727   0.695  -2.952  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -2.216   1.245   1.526  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -0.129   1.995   0.304  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        3.562   0.230  -0.092  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        3.246   1.163  -1.185  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        2.014   2.020  -0.817  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        0.776   1.243  -0.579  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        1.090  -0.108  -0.061  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        2.424  -0.243   0.713  0.00  0.00    +0.120 C 
BRANCH  19  28
ATOM     25  C   LIG    1        7.452  -1.370   0.448  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        7.095  -0.776  -0.756  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        5.805  -0.247  -0.929  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.832  -0.295   0.081  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        5.222  -0.899   1.286  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        6.508  -1.427   1.469  0.00  0.00    +0.047 A 
BRANCH  25  32
ATOM     31  C   LIG    1        9.656  -1.887  -0.267  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        8.665  -1.921   0.752  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  19  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4