REMARK  Name = BDB050078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.577   0.666   0.616  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.291   0.442   0.653  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.295   0.679   1.867  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.337   1.108   3.023  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.495   1.203   4.035  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.710   0.829   3.524  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -1.721   1.365   2.944  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.633   0.500   2.180  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -2.360   1.164   1.787  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.677   0.041   1.260  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.737   0.510  -0.063  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.761   0.067  -0.925  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.707  -0.833  -0.438  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1        5.582  -1.098  -1.467  0.00  0.00    -0.361 N 
ATOM     15  H   LIG    1        6.375  -1.721  -1.399  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        5.223  -0.395  -2.587  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1        4.681  -1.315   0.874  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        4.098   0.337  -2.281  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.653  -0.860   1.709  0.00  0.00    +0.012 A 
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.168   0.418  -0.598  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.474   0.056  -1.250  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  CA  LIG    1       -3.483  -0.202  -0.759  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.152   1.397  -2.630  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.936  -0.056  -2.224  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -3.421  -1.689  -0.351  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.719  -2.275  -0.379  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -4.616  -3.204  -0.108  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6