REMARK  Name = BDB021365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.286  -0.302  -0.720  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.744   0.693  -1.587  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.560   0.513  -2.008  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.842   1.526  -2.894  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.287   2.312  -2.913  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.353  -0.569  -1.584  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.839  -1.493  -0.820  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.263   1.797  -2.096  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.470  -1.335  -0.411  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.712  -0.751   0.452  0.00  0.00    +0.148 A 
ATOM     11  N   LIG    1        4.478   0.530   0.794  0.00  0.00    -0.166 NA
ATOM     12  N   LIG    1        3.211   0.765   0.379  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1        2.648   2.067   0.664  0.00  0.00    +0.173 C 
ATOM     14  C   LIG    1        2.618  -0.329  -0.211  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        3.575  -1.325  -0.162  0.00  0.00    +0.063 A 
BRANCH  10  19
ATOM     16  C   LIG    1        8.203  -1.026   1.767  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1        6.929  -0.568   1.292  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        6.581   0.357   1.530  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        5.999  -1.411   0.724  0.00  0.00    +0.264 C 
ATOM     20  O   LIG    1        6.207  -2.595   0.477  0.00  0.00    -0.268 OA
ENDBRANCH  10  19
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1        0.493   3.510  -3.668  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.623   4.484  -4.288  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.670  -0.692  -1.976  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.977  -1.620  -1.688  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.671   0.283  -1.548  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.867   0.256  -0.059  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.659  -0.692   0.582  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.416  -1.844   0.034  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.244  -2.209   1.266  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -5.579  -1.706   2.446  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -4.778  -0.703   1.967  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.123   0.207   2.772  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -3.327   1.168   2.152  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -3.205   1.184   0.757  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -2.415   2.111   0.195  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6