REMARK  Name = BDB062479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.578   0.555  -1.923  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -0.696   0.211  -2.622  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -1.330   0.118  -1.268  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1       -2.218   1.217  -0.773  0.00  0.00    +0.116 C 
ATOM      5  N   LIG    1       -3.020   0.167  -0.188  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -2.410  -0.871  -0.983  0.00  0.00    +0.116 C 
ATOM      7  C   LIG    1        0.037  -0.048  -0.665  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.352   0.245   0.253  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -5.162  -0.886   0.381  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1       -6.451  -0.884   0.803  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1       -6.967   0.333   1.131  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -6.251   1.519   1.058  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.929   1.466   0.615  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -8.390   0.346   1.603  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.997  -0.892   1.607  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.393  -1.681   1.388  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1      -10.310  -1.106   2.149  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -8.939   1.383   1.958  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   5   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.690  -0.236  -2.458  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1        7.216  -0.003   0.987  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        6.654  -1.390   1.094  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1        7.210  -2.267   1.748  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1        5.483  -1.644   0.427  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1        5.122  -2.584   0.510  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.803  -0.677  -0.321  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        5.314   0.616  -0.413  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1        4.724   1.609  -1.110  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1        3.567   1.291  -1.738  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1        2.975   0.026  -1.715  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1        3.618  -0.979  -0.981  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        6.559   0.932   0.278  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1        9.717  -0.255   0.996  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        8.494   0.282   1.727  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5