REMARK  Name = BDB021353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.609  -0.879   0.230  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.038  -1.498  -0.876  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        1.328  -1.948  -0.667  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.724  -2.580  -1.823  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.675  -2.419  -2.699  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        1.998  -1.786   0.560  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.377  -1.256   1.581  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.367  -1.751  -2.107  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.086  -0.811   1.385  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -4.556   0.832   0.153  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -4.398  -0.561   0.143  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -3.123  -1.156   0.180  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1       -3.022  -2.657   0.147  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -1.982  -0.330   0.206  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1       -2.141   1.065   0.213  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.413   1.639   0.190  0.00  0.00    +0.005 A 
BRANCH  10  17
ATOM     17  C   LIG    1       -5.932   1.456   0.118  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -7.480   2.755  -1.188  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -6.127   2.227  -1.110  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1       -5.949   1.618  -1.909  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1        0.600  -2.886  -4.049  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.573  -3.285  -5.140  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1        3.306  -2.188   0.737  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.517  -2.081   1.727  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.402  -1.625  -0.048  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.355  -0.126  -0.125  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        4.559   0.700   0.977  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.795   0.364   2.402  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        5.214   1.741   2.918  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        4.687   2.755   2.034  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        4.477   2.083   0.857  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        4.191   2.707  -0.340  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        3.993   1.902  -1.460  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        4.079   0.508  -1.345  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        3.878  -0.233  -2.445  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7