REMARK  Name = BDB023664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.655  -0.807  -0.820  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -3.227  -0.375  -0.742  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1       -3.126   0.566   0.472  0.00  0.00    +0.070 C 
ATOM      4  C   LIG    1       -2.575  -0.213   1.672  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -3.287  -0.721   2.536  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -1.215  -0.400   1.707  0.00  0.00    -0.283 N 
ATOM      7  H   LIG    1       -0.869  -1.029   2.423  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.320   0.299   0.891  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -0.772   1.345   0.091  0.00  0.00    +0.063 A 
ATOM     10  N   LIG    1        0.040   2.058  -0.718  0.00  0.00    -0.257 NA
ATOM     11  C   LIG    1        1.352   1.712  -0.721  0.00  0.00    +0.119 A 
ATOM     12  C   LIG    1        1.909   0.693   0.055  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        1.034  -0.020   0.885  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -2.214   1.766   0.196  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1       -4.574   1.009   0.697  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -5.397  -0.212   0.318  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        3.341   0.396   0.009  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1        3.795  -0.869  -0.434  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        5.162  -1.133  -0.464  0.00  0.00    +0.066 A 
ATOM     20  N   LIG    1        5.276  -2.417  -0.930  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1        6.127  -2.946  -1.082  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1        4.101  -3.007  -1.208  0.00  0.00    -0.181 NA
ATOM     23  C   LIG    1        6.130  -0.203  -0.077  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.676   1.046   0.353  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.205  -2.062  -0.917  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        4.312   1.342   0.396  0.00  0.00    +0.009 A 
ENDBRANCH  12  17
BRANCH   1  28
ATOM     27  N   LIG    1       -5.429  -2.809  -2.094  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -5.074  -1.880  -1.503  0.00  0.00    +0.169 C 
ENDBRANCH   1  28
TORSDOF 2