REMARK  Name = BDB054693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.521  -1.550  -0.151  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -2.635  -0.831   0.077  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -3.707  -1.572   0.401  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1       -3.735  -2.948   0.518  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -5.048  -3.305   0.895  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -5.789  -2.142   1.061  0.00  0.00    +0.107 A 
ATOM      7  C   LIG    1       -2.542  -3.608   0.260  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -4.976  -1.093   0.650  0.00  0.00    -0.318 N 
ATOM      9  N   LIG    1       -1.443  -2.894  -0.070  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -7.152  -2.077   1.532  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1       -8.027  -2.880   1.233  0.00  0.00    -0.269 OA
ATOM     12  N   LIG    1       -7.408  -1.094   2.443  0.00  0.00    -0.324 N 
ATOM     13  H   LIG    1       -8.298  -1.179   2.918  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1       -6.645  -0.684   2.964  0.00  0.00    +0.145 HD
ENDBRANCH   6  10
BRANCH   8  15
ATOM     15  C   LIG    1       -5.391   0.287   0.443  0.00  0.00    +0.089 C 
ATOM     16  C   LIG    1       -5.198   0.806  -0.994  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -4.877   2.282  -0.819  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -4.017   2.306   0.433  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -4.685   1.299   1.363  0.00  0.00    +0.025 C 
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -0.403  -0.777  -0.482  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -0.704   0.189  -0.473  0.00  0.00    +0.155 HD
BRANCH  20  26
ATOM     22  C   LIG    1        3.063  -0.843  -1.334  0.00  0.00    +0.106 A 
ATOM     23  N   LIG    1        2.743  -2.187  -1.267  0.00  0.00    -0.344 N 
ATOM     24  C   LIG    1        3.657  -3.283  -1.510  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1        1.430  -2.344  -0.905  0.00  0.00    +0.109 A 
ATOM     26  C   LIG    1        0.866  -1.100  -0.791  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        1.881  -0.158  -1.077  0.00  0.00    +0.055 A 
BRANCH  22  33
ATOM     28  C   LIG    1        7.427   3.304   1.059  0.00  0.00    +0.105 C 
ATOM     29  N   LIG    1        6.131   3.063   0.431  0.00  0.00    -0.302 NA
ATOM     30  C   LIG    1        6.254   2.869  -1.029  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1        6.083   1.418  -1.512  0.00  0.00    +0.123 C 
ATOM     32  N   LIG    1        4.825   0.826  -1.055  0.00  0.00    -0.294 N 
ATOM     33  C   LIG    1        4.376  -0.330  -1.690  0.00  0.00    +0.263 C 
ATOM     34  O   LIG    1        5.080  -0.899  -2.524  0.00  0.00    -0.268 OA
ATOM     35  C   LIG    1        4.312   1.328   0.226  0.00  0.00    +0.123 C 
ATOM     36  C   LIG    1        5.431   1.942   1.089  0.00  0.00    +0.103 C 
ENDBRANCH  22  33
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 5