REMARK  Name = BDB023670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.099   0.706  -1.406  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.760   0.840  -1.738  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.334  -0.113  -1.545  0.00  0.00    +0.140 C 
ATOM      4  C   LIG    1        1.418   0.366  -2.512  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        1.191   1.874  -2.576  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.331   1.976  -2.536  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.909   1.555  -1.782  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.876  -0.128  -0.108  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.869  -0.998   0.282  0.00  0.00    -0.316 N 
ATOM     10  H   LIG    1        2.599  -1.235  -0.382  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        2.292  -0.625   1.641  0.00  0.00    +0.134 C 
ATOM     12  C   LIG    1        2.128  -1.822   2.578  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        1.182   0.416   1.966  0.00  0.00    +0.265 C 
ATOM     14  O   LIG    1        0.990   0.943   3.052  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        0.426   0.666   0.829  0.00  0.00    -0.166 NA
BRANCH  11  16
ATOM     16  C   LIG    1        3.713  -0.071   1.586  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        4.793  -0.932   1.298  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        6.103  -0.451   1.218  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        6.355   0.901   1.423  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        8.124   1.555   1.316  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        5.310   1.774   1.705  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.998   1.292   1.784  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1        1.761   2.397  -3.761  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        1.508   3.335  -3.823  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.490  -0.436  -0.429  0.00  0.00    +0.164 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -3.032   1.528   2.800  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -3.480   0.846   1.533  0.00  0.00    +0.211 C 
ATOM     28  N   LIG    1       -2.474   0.134   0.926  0.00  0.00    -0.304 N 
ATOM     29  H   LIG    1       -1.543   0.425   1.218  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -4.630   0.944   1.133  0.00  0.00    -0.276 OA
ENDBRANCH  25  28
BRANCH  25  31
ATOM     31  C   LIG    1       -3.670  -1.358  -0.887  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -4.159  -2.243   0.278  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.875  -0.638  -1.519  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -3.118  -2.312  -1.980  0.00  0.00    +0.013 C 
ENDBRANCH  25  31
ENDBRANCH   1  25
TORSDOF 6