REMARK  Name = BDB029267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.622  -0.446  -1.464  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.352   1.043  -1.259  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.165   1.075  -1.360  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.601  -0.263  -0.751  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.526  -1.171  -0.872  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.025  -1.647   1.828  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1       -4.504  -1.511   0.531  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1       -4.928  -1.766  -0.797  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -3.925  -1.400  -1.661  0.00  0.00    +0.105 A 
ATOM     10  N   LIG    1       -2.878  -0.925  -0.903  0.00  0.00    -0.302 N 
ATOM     11  I   LIG    1       -6.735  -2.546  -1.419  0.00  0.00    -0.041 I 
ATOM     12  C   LIG    1       -3.216  -0.985   0.430  0.00  0.00    +0.149 A 
ATOM     13  N   LIG    1       -2.435  -0.595   1.456  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -3.050  -0.769   2.642  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1       -4.278  -1.259   2.878  0.00  0.00    -0.220 NA
BRANCH   6  16
ATOM     16  N   LIG    1       -6.285  -2.147   2.119  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -6.576  -1.888   3.054  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -6.969  -2.048   1.381  0.00  0.00    +0.144 HD
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1       -1.952   1.863  -2.265  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -1.311   1.871  -3.007  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        0.498   1.115  -2.766  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1        1.469   1.207  -2.821  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1        1.014  -0.181   0.735  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.402   0.412   0.894  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        3.527  -0.388   0.616  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.772   0.184   0.740  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        6.245  -0.071   0.616  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        6.438   1.419   1.052  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1        4.941   1.490   1.123  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        3.877   2.308   1.410  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        2.595   1.759   1.293  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        0.061   0.573   1.483  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -0.762   0.037   1.488  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7