REMARK  Name = BDB025295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.179  -0.286  -0.243  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -0.820   0.846   0.204  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -2.189   0.619   0.145  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -3.036   1.665   0.552  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.443   2.852   0.983  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.059   2.944   0.997  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -2.374  -0.711  -0.338  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.505  -1.497  -0.596  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -3.378  -2.765  -1.054  0.00  0.00    -0.263 NA
ATOM     10  C   LIG    1       -2.141  -3.259  -1.267  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.960  -2.566  -1.045  0.00  0.00    +0.046 A 
ATOM     12  N   LIG    1       -0.200   1.968   0.625  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -1.105  -1.260  -0.568  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.088   1.059   0.331  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        3.932   0.663   0.215  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.074   1.229  -0.691  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.475   1.954  -1.271  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        1.900   0.686  -1.159  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.463   1.024  -2.259  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.274  -0.420  -0.315  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1        1.900  -0.502   1.081  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.415  -0.538   0.969  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1