REMARK  Name = BDB021008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.652  -2.454   1.482  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -6.318  -2.339   0.076  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -6.795  -3.058  -0.456  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -5.008  -2.372  -0.307  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.213  -1.303   0.032  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.771  -1.468  -0.141  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.048  -0.172  -0.218  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.686   1.050  -0.204  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.742   2.032  -0.326  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.538   1.500  -0.360  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.121   1.162  -0.081  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.707   0.139  -0.304  0.00  0.00    +0.096 A 
ATOM     13  C   LIG    1       -4.688  -0.058   0.636  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -4.615  -3.338  -0.957  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.462  -0.744  -0.347  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        1.822  -0.311  -0.232  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        2.622  -1.452  -0.323  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        4.015  -1.395  -0.246  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        4.561  -0.126  -0.069  0.00  0.00    +0.076 A 
ATOM     20  N   LIG    1        3.815   1.000   0.025  0.00  0.00    -0.254 NA
ATOM     21  N   LIG    1        1.784  -2.528  -0.492  0.00  0.00    -0.360 N 
ATOM     22  H   LIG    1        2.091  -3.486  -0.595  0.00  0.00    +0.165 HD
ATOM     23  C   LIG    1        2.461   0.923  -0.056  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        0.478  -2.114  -0.504  0.00  0.00    +0.093 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.996   0.089   0.031  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.992  -0.866  -0.042  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        8.175  -0.199   0.102  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        9.500  -0.768   0.094  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        8.029   1.127   0.266  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.704   1.300   0.220  0.00  0.00    +0.144 A 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -1.890   3.581  -0.443  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -2.692   4.352   0.568  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -3.157   4.268  -0.862  0.00  0.00    +0.012 C 
ENDBRANCH   9  31
TORSDOF 3