REMARK  Name = BDB039673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.118  -1.652  -1.655  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1        0.083  -1.640  -0.194  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        1.488  -1.092   0.212  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1        2.042  -2.526   0.033  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1        2.131  -0.101  -0.639  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1        1.635   0.035  -2.025  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1        0.599  -3.037   0.240  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        0.141  -0.299  -2.159  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.439   0.389  -0.376  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        4.037   0.256   0.888  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1        5.276   0.688   1.242  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1        5.988   1.312   0.269  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1        5.513   1.508  -1.016  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.232   1.043  -1.331  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.358   1.792   0.645  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        7.692   1.567   1.964  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.023   1.025   2.504  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        9.005   1.836   2.484  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        8.098   2.324  -0.173  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1       -1.453  -2.155  -2.037  0.00  0.00    +0.142 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.674   0.794   0.462  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -6.329  -0.366   1.350  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -6.982  -0.635   2.352  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.242  -1.124   0.993  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -5.026  -1.898   1.607  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.470  -0.868  -0.148  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1       -4.799   0.196  -0.975  0.00  0.00    +0.110 A 
ATOM     28  N   LIG    1       -4.093   0.482  -2.083  0.00  0.00    -0.147 NA
ATOM     29  N   LIG    1       -3.016  -0.298  -2.407  0.00  0.00    -0.152 NA
ATOM     30  C   LIG    1       -2.662  -1.344  -1.618  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -3.381  -1.661  -0.471  0.00  0.00    +0.054 A 
ATOM     32  C   LIG    1       -5.942   1.035  -0.642  0.00  0.00    +0.040 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -7.564   2.594   1.974  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.871   1.621   0.844  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5