REMARK  Name = BDB012173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.695  -1.756  -0.326  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -1.753  -1.627  -1.534  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -0.566  -0.717  -1.236  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.204  -1.183  -0.081  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        1.520  -0.811   0.184  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        2.137  -1.248   1.154  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.484  -2.044   0.880  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -1.951  -1.658   1.016  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -5.744   0.037  -0.118  0.00  0.00    +0.248 A 
ATOM     10  O   LIG    1       -5.019  -1.116   0.061  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1       -3.781  -0.737  -0.380  0.00  0.00    +0.221 A 
ATOM     12  N   LIG    1       -3.740   0.514  -0.787  0.00  0.00    -0.112 NA
ATOM     13  N   LIG    1       -5.014   1.014  -0.620  0.00  0.00    -0.107 NA
BRANCH   9  17
ATOM     14  C   LIG    1      -10.102   2.436   0.274  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -9.295   1.181   0.428  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -7.934   1.167   0.088  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -7.152   0.012   0.254  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -7.760  -1.136   0.782  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -9.110  -1.128   1.138  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -9.873   0.026   0.966  0.00  0.00    +0.003 A 
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   5  21
ATOM     21  C   LIG    1        2.161   0.166  -0.794  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.557   0.634  -0.377  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.634  -0.429  -0.608  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.006   0.130  -0.311  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1        6.538   0.949  -1.272  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        6.037   1.143  -2.127  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        7.768   1.545  -1.157  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1        8.224   2.268  -2.035  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        8.498   1.258   0.088  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        7.879   0.416   1.016  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        8.550   0.129   2.206  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        9.813   0.671   2.460  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       10.419   1.509   1.523  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        9.762   1.807   0.330  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1        6.611  -0.148   0.797  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 6