REMARK  Name = BDB039607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.325  -0.707   0.904  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.156   0.188   0.894  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.067  -0.534   1.510  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.396  -1.849   0.901  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.829  -2.686   0.915  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.091  -2.031   0.298  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.117   0.864   0.201  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.181   1.064  -0.757  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        3.932   0.559  -0.557  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        2.981   0.845  -1.681  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.571  -0.150   0.602  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.581  -0.340   1.560  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.862   0.170   1.371  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.898   1.086   0.040  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.554   0.684   0.370  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.394  -0.290   0.588  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.475   1.443  -0.068  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.609   2.512  -0.654  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.935  -1.727  -0.463  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.301  -1.071  -0.509  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.360  -1.586   0.257  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.618  -0.987   0.207  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1       -5.667  -1.522   0.998  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -5.495  -2.323   1.589  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.966  -1.024   1.044  0.00  0.00    +0.277 A 
ATOM     26  C   LIG    1       -7.196   0.141   0.185  0.00  0.00    +0.157 A 
ATOM     27  C   LIG    1       -6.161   0.687  -0.609  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1       -6.716   1.750  -1.273  0.00  0.00    +0.117 A 
ATOM     29  N   LIG    1       -8.020   1.788  -0.857  0.00  0.00    -0.273 N 
ATOM     30  C   LIG    1       -9.032   2.732  -1.268  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -8.342   0.823   0.029  0.00  0.00    -0.166 NA
ATOM     32  O   LIG    1       -7.811  -1.554   1.761  0.00  0.00    -0.265 OA
ATOM     33  C   LIG    1       -4.831   0.136  -0.622  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -3.787   0.648  -1.391  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -2.528   0.044  -1.334  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4