REMARK  Name = BDB045053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.027  -1.140  -0.645  0.00  0.00    -0.256 N 
ATOM      2  H   LIG    1       -0.311  -2.112  -0.648  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1       -0.707  -0.295   0.219  0.00  0.00    +0.224 C 
ATOM      4  O   LIG    1       -0.521   0.919   0.301  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.952  -0.791  -1.538  0.00  0.00    +0.188 C 
ATOM      6  N   LIG    1        1.474  -1.733  -2.242  0.00  0.00    -0.270 NA
ATOM      7  H   LIG    1        1.055  -2.637  -2.025  0.00  0.00    +0.190 HD
BRANCH   5   8
ATOM      8  N   LIG    1        1.324   0.508  -1.644  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.947   1.123  -0.923  0.00  0.00    +0.163 HD
BRANCH   8  10
ATOM     10  C   LIG    1        2.592   0.932  -2.191  0.00  0.00    +0.151 C 
BRANCH  10  14
ATOM     11  C   LIG    1        5.548   0.887   0.970  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        5.356  -0.254   0.165  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1        4.406  -0.222  -0.863  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        3.646   0.932  -1.108  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        3.840   2.056  -0.297  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.783   2.035   0.734  0.00  0.00    +0.050 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.734   1.914   2.774  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.498   0.777   1.957  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        6.132  -1.346   0.469  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        5.980  -2.504  -0.340  0.00  0.00    +0.277 C 
ENDBRANCH  12  19
ENDBRANCH  10  14
ENDBRANCH   8  10
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   3  21
ATOM     21  C   LIG    1       -1.737  -1.000   1.085  0.00  0.00    +0.133 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.154  -0.827   0.575  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -3.783  -1.608  -0.420  0.00  0.00    +0.133 A 
ATOM     24  C   LIG    1       -5.117  -1.342  -0.797  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.835  -0.299  -0.209  0.00  0.00    +0.164 A 
ATOM     26  C   LIG    1       -5.215   0.507   0.761  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1       -3.893   0.238   1.138  0.00  0.00    +0.055 A 
BRANCH  23  28
ATOM     28  N   LIG    1       -3.111  -2.728  -1.117  0.00  0.00    +0.057 N 
ATOM     29  O   LIG    1       -3.713  -3.269  -2.057  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1       -1.981  -3.073  -0.736  0.00  0.00    -0.126 OA
ENDBRANCH  23  28
BRANCH  25  31
ATOM     31  O   LIG    1       -7.135   0.018  -0.512  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.824  -0.804  -1.446  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  26  33
ATOM     33  O   LIG    1       -5.979   1.521   1.280  0.00  0.00    -0.491 OA
ATOM     34  C   LIG    1       -5.370   2.410   2.205  0.00  0.00    +0.277 C 
ENDBRANCH  26  33
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 11