REMARK  Name = BDB056123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.645  -1.162  -1.097  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.310  -0.848  -1.046  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1       -0.007   0.119  -1.116  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -2.051  -2.290  -0.806  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.657  -1.738  -0.414  0.00  0.00    +0.156 C 
ATOM      6  C   LIG    1        1.139  -2.807  -1.387  0.00  0.00    +0.038 C 
BRANCH   5   7
ATOM      7  C   LIG    1        1.836  -0.877   0.077  0.00  0.00    +0.234 C 
ATOM      8  N   LIG    1        2.725  -1.544   0.893  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.494  -2.480   1.198  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.952   0.302  -0.256  0.00  0.00    -0.274 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.923  -0.938   1.462  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1        4.977  -0.596   0.419  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        5.770   0.563   0.544  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        6.752   0.841  -0.420  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.977  -0.036  -1.481  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.221  -1.198  -1.591  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.554   1.550   1.665  0.00  0.00    +0.035 C 
ATOM     18  C   LIG    1        4.845   0.935   2.868  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1        5.233  -1.479  -0.647  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.580   0.217   2.416  0.00  0.00    +0.027 C 
ENDBRANCH   8  11
ENDBRANCH   5   7
ENDBRANCH   2   5
BRANCH   1  21
ATOM     21  C   LIG    1       -2.602  -0.087  -1.685  0.00  0.00    +0.161 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.309  -0.213   0.141  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -3.967  -0.314  -1.201  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -4.485  -1.016  -1.714  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -3.506   0.139   0.999  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -5.784  -0.617   0.422  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -6.763   0.248  -0.373  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -6.151   0.629   2.526  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -6.104  -0.670   1.866  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -7.001  -1.134   1.993  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -2.142   1.393  -1.729  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -3.118   2.248  -2.549  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -1.891   2.066  -0.380  0.00  0.00    +0.009 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 8