REMARK  Name = BDB014891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.154  -0.863   0.485  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -0.326  -1.781   0.906  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -3.832  -5.003   0.060  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.766  -3.887  -0.339  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.230  -2.606  -0.413  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.904  -2.278   0.151  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.415  -0.977  -0.379  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.170  -0.317  -0.224  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.167   0.844  -0.887  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.384   0.936  -1.456  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.175  -0.130  -1.156  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.572  -0.398  -1.576  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.163  -1.485  -0.655  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -5.945  -4.133  -0.596  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -2.718   2.086  -2.259  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -1.683   2.472  -3.301  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -1.922   3.858  -3.612  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -2.743   4.416  -2.575  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.857   3.377  -1.479  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.087  -0.336   0.912  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1        2.139  -1.175   1.327  0.00  0.00    +0.110 A 
ATOM     22  C   LIG    1        3.379  -0.660   1.749  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.619   0.715   1.726  0.00  0.00    -0.013 A 
ATOM     24  C   LIG    1        2.598   1.558   1.277  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        1.360   1.038   0.872  0.00  0.00    +0.026 A 
BRANCH  23  26
ATOM     26  C   LIG    1        4.902   1.243   2.158  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.473   2.418   1.713  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.674   2.530   2.353  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.639   3.593   2.211  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.934   1.508   3.186  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.856   0.728   3.068  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
BRANCH  21  32
ATOM     32  S   LIG    1        1.951  -2.946   1.331  0.00  0.00    -0.004 S 
ATOM     33  O   LIG    1        0.529  -3.238   1.438  0.00  0.00    -0.170 OA
ATOM     34  O   LIG    1        2.885  -3.493   2.296  0.00  0.00    -0.170 OA
ATOM     35  C   LIG    1        2.491  -3.412  -0.294  0.00  0.00    +0.200 C 
ENDBRANCH  21  32
ENDBRANCH   1  20
TORSDOF 5