REMARK  Name = BDB017509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.468  -0.374   0.214  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.184  -0.061  -0.046  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        0.683  -0.427   0.900  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1        2.073  -0.233   0.903  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1        2.602  -0.756   2.102  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1        1.510  -1.288   2.817  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        1.565  -1.919   4.104  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1        3.768  -0.751   2.460  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.355  -1.073   2.069  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.956  -1.356   2.263  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1       -1.878  -1.010   1.338  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.796   0.449  -0.157  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1        3.875  -0.448  -0.801  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        5.303  -0.035  -0.444  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        5.591   1.432  -0.781  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1        4.369   2.347  -0.662  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        3.349   1.799   0.327  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1        6.110   1.534  -2.106  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1        5.480   1.112  -2.714  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1       -2.367   0.011  -0.778  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -1.859   0.469  -1.520  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1       -3.545   1.103  -3.174  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -4.388   0.431  -2.121  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -3.733  -0.119  -0.897  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1       -4.551  -0.706   0.003  0.00  0.00    +0.138 A 
ATOM     26  N   LIG    1       -5.923  -0.792  -0.202  0.00  0.00    -0.219 N 
ATOM     27  C   LIG    1       -6.545  -0.285  -1.337  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1       -7.840  -0.496  -1.282  0.00  0.00    -0.215 NA
ATOM     29  C   LIG    1       -7.986  -1.141  -0.092  0.00  0.00    +0.246 A 
ATOM     30  N   LIG    1       -6.866  -1.347   0.602  0.00  0.00    -0.154 NA
ATOM     31  C   LIG    1       -5.725   0.340  -2.307  0.00  0.00    +0.053 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4