REMARK  Name = BDB049381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.071   0.016  -0.031  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.238   1.074   0.363  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.859   0.845   0.478  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.864   1.715   0.837  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.262   1.031   0.768  0.00  0.00    +0.112 A 
ATOM      6  N   LIG    1       -0.009  -0.281   0.426  0.00  0.00    -0.319 N 
ATOM      7  C   LIG    1        1.345  -0.418   0.211  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.152  -1.493  -0.180  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.526  -1.248  -0.295  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.580  -1.506   1.472  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.596  -0.423   0.463  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.498   0.225  -0.162  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.087   1.148  -0.999  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.585   2.154  -1.956  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.439   1.061  -0.879  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.763   0.073   0.032  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -0.982  -1.361   0.374  0.00  0.00    +0.219 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.627  -1.512  -0.994  0.00  0.00    +0.236 C 
ATOM     19  N   LIG    1       -2.244  -2.727  -1.262  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1       -2.408  -3.826  -0.304  0.00  0.00    +0.136 C 
ATOM     21  C   LIG    1       -3.576  -4.736  -0.697  0.00  0.00    +0.179 C 
ATOM     22  O   LIG    1       -3.435  -5.303  -2.004  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -2.776  -4.448  -2.950  0.00  0.00    +0.179 C 
ATOM     24  C   LIG    1       -2.822  -2.961  -2.589  0.00  0.00    +0.136 C 
ATOM     25  O   LIG    1       -1.627  -0.600  -1.821  0.00  0.00    -0.274 OA
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  26
ATOM     26  C   LIG    1       -1.631   1.572   1.038  0.00  0.00    +0.079 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.705   3.088   0.839  0.00  0.00    +0.043 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.104   3.603   1.078  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -3.492   4.044   2.350  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -4.792   4.498   2.574  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.716   4.512   1.531  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.341   4.072   0.263  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.042   3.617   0.037  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6