REMARK  Name = BDB021246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.221   0.228  -0.459  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.451   0.578   0.685  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.084   0.407   0.593  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.460   0.872   1.767  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.617   1.251   2.536  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.539  -0.121  -0.552  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.177  -0.431  -1.598  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.799   1.057   1.863  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.544  -0.261  -1.520  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.400   0.421  -0.579  0.00  0.00    +0.318 A 
ATOM     11  N   LIG    1        5.737   1.249  -1.399  0.00  0.00    -0.200 NA
ATOM     12  C   LIG    1        4.385   1.212  -1.358  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.686   2.185  -2.264  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        3.687   0.337  -0.530  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.483  -0.456   0.280  0.00  0.00    +0.126 A 
ATOM     16  N   LIG    1        5.832  -0.445   0.272  0.00  0.00    -0.203 NA
BRANCH  10  18
ATOM     17  C   LIG    1        8.440  -0.332   0.268  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1        7.772   0.502  -0.668  0.00  0.00    -0.466 OA
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   5  19
ATOM     19  C   LIG    1        0.582   1.795   3.860  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        0.507   2.229   4.934  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -1.906  -0.292  -0.598  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.148  -0.476  -1.573  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.519  -1.347   0.208  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.985  -1.443  -0.100  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.878  -0.402   0.141  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.637   0.969   0.652  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.081   1.396   0.917  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.966   0.592   0.105  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.226  -0.528  -0.172  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.751  -1.675  -0.731  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.880  -2.738  -0.967  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.520  -2.616  -0.651  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.714  -3.659  -0.898  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6