REMARK  Name = BDB023957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.566   4.639   2.877  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.897   3.956   2.686  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.967   2.958   1.722  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.905   2.765   0.712  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.031   1.427   0.076  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.168   0.740  -0.813  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.662  -0.469  -1.121  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.823  -0.558  -0.439  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.090   0.568   0.278  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.244   0.855   1.165  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.295   2.374   1.431  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.860   4.282   3.381  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.102   1.204  -1.361  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.334   0.580  -1.026  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.530   1.095  -1.558  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.752   0.490  -1.219  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.798  -0.602  -0.354  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.658  -1.111   0.152  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.485   2.204  -2.420  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.273   2.806  -2.753  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.479  -0.531  -0.186  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.085   2.311  -2.224  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        4.987  -1.210  -0.022  0.00  0.00    -0.315 N 
ATOM     24  C   LIG    1        6.268  -0.514  -0.013  0.00  0.00    +0.106 C 
ATOM     25  C   LIG    1        7.085  -1.242   1.057  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        6.458  -2.626   1.109  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        4.975  -2.324   0.919  0.00  0.00    +0.106 C 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -3.603  -1.791  -0.505  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1       -2.941  -2.895   0.331  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -3.436  -4.258  -0.122  0.00  0.00    +0.162 C 
ATOM     31  O   LIG    1       -3.178  -4.534  -1.498  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -2.947  -3.390  -2.323  0.00  0.00    +0.162 C 
ATOM     33  C   LIG    1       -3.867  -2.239  -1.952  0.00  0.00    +0.055 C 
ENDBRANCH   8  28
TORSDOF 3