REMARK  Name = BDB056082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.223   0.307  -1.737  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -1.670  -0.362  -0.865  0.00  0.00    +0.242 C 
ATOM      3  C   LIG    1       -1.328   0.126   0.547  0.00  0.00    +0.194 C 
ATOM      4  N   LIG    1        0.133   0.110   0.664  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1        0.785  -1.067   0.972  0.00  0.00    +0.250 C 
ATOM      6  O   LIG    1        1.903  -1.024   1.488  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.151  -2.389   0.705  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1       -0.761  -2.642  -0.338  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.097  -3.973  -0.637  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -0.592  -5.034   0.117  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        0.278  -4.776   1.170  0.00  0.00    +0.014 A 
ATOM     12  I   LIG    1        1.038  -6.348   2.293  0.00  0.00    -0.044 I 
ATOM     13  C   LIG    1        0.659  -3.467   1.457  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -1.381  -1.675  -1.152  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -1.801  -1.979  -2.025  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3  16
ATOM     16  C   LIG    1       -1.960   1.401   1.101  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -1.868   1.624   2.493  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -2.401   2.773   3.082  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.036   3.722   2.291  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -3.700   5.135   3.010  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -3.135   3.531   0.916  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.598   2.380   0.325  0.00  0.00    +0.007 A 
ENDBRANCH   3  16
BRANCH   4  23
ATOM     23  C   LIG    1        0.909   1.305   0.219  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.734   1.004  -1.034  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        1.151   1.155  -2.305  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        1.870   0.854  -3.464  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.180   0.397  -3.366  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        4.063   0.018  -4.793  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        3.778   0.241  -2.119  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.059   0.542  -0.959  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1        1.703   2.075   1.305  0.00  0.00    +0.330 C 
ATOM     32  O   LIG    1        2.035   3.249   1.184  0.00  0.00    -0.249 OA
BRANCH  31  33
ATOM     33  O   LIG    1        2.082   1.358   2.388  0.00  0.00    -0.479 OA
ATOM     34  H   LIG    1        1.991   0.387   2.240  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH   4  23
TORSDOF 5