REMARK  Name = BDB021187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.277   0.169  -0.402  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.652   1.299   0.205  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.312   1.494  -0.073  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.065   2.664   0.545  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.058   3.096   1.210  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.436   0.616  -0.879  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.148  -0.405  -1.442  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.113   2.240   1.009  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.492  -0.596  -1.192  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.123  -1.149  -1.058  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.795  -0.763  -0.527  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.615  -0.608   0.786  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.319  -0.245   0.911  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -3.810  -0.046   2.250  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.656  -0.181  -0.295  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.606  -0.520  -1.243  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -1.184   4.270   2.020  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -1.246   5.225   2.678  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.776   0.836  -1.101  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.091   0.222  -1.853  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.737   0.790  -0.001  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.588  -0.448  -0.074  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        4.968  -0.379  -0.178  0.00  0.00    +0.171 A 
ATOM     24  O   LIG    1        5.712   0.760  -0.237  0.00  0.00    -0.452 OA
ATOM     25  C   LIG    1        7.046   0.219  -0.344  0.00  0.00    +0.466 C 
ATOM     26  O   LIG    1        7.079  -1.221  -0.337  0.00  0.00    -0.453 OA
ATOM     27  C   LIG    1        5.754  -1.509  -0.234  0.00  0.00    +0.167 A 
ATOM     28  C   LIG    1        5.216  -2.776  -0.184  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        3.829  -2.887  -0.072  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        3.023  -1.736  -0.014  0.00  0.00    +0.009 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5