REMARK  Name = BDB021928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.787  -0.693  -0.503  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -2.695  -1.367  -1.247  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.737  -0.657   0.389  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -0.644  -1.332  -0.130  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.560  -1.271  -1.134  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -1.726  -0.136   1.495  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.584   1.159  -0.298  0.00  0.00    -0.048 A 
ATOM      8  C   LIG    1       -6.271   0.239  -1.303  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -5.008  -0.361  -1.346  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.037  -0.054  -0.386  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.345   0.873   0.610  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -5.608   1.475   0.654  0.00  0.00    +0.005 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.960   3.111  -1.062  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -7.937   1.821  -0.256  0.00  0.00    +0.032 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  15
ATOM     15  C   LIG    1        0.617  -1.369   0.610  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        1.481  -2.553   0.156  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        2.503  -2.127  -0.894  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1        3.420  -1.074  -0.436  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.865  -0.232   0.638  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        1.360  -0.032   0.485  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1        4.739  -1.621  -0.071  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.796  -0.560   0.155  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        6.441  -0.445   1.395  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        7.422   0.529   1.595  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.769   1.395   0.559  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.136   1.290  -0.678  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.155   0.317  -0.879  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  15
TORSDOF 5