REMARK  Name = BDB053050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.275  -2.325  -2.179  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.223  -1.930  -1.713  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.950  -1.527  -0.422  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.418  -1.016  -0.260  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -1.016  -1.340  -1.621  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.325  -1.254  -2.082  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.598  -1.630  -3.403  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.576  -2.101  -4.245  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.269  -2.215  -3.775  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.026  -1.835  -2.467  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.114  -1.730   0.911  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.460  -3.095   0.822  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.073  -3.757   1.890  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.339  -3.070   3.070  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.093  -3.883   4.384  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.989  -1.729   3.194  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.375  -1.067   2.126  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        1.979  -1.417   0.596  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.608  -0.044   0.681  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.353   0.789   1.782  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        2.913   2.067   1.852  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        3.737   2.517   0.814  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        4.006   1.697  -0.288  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.442   0.421  -0.349  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.326   3.859   0.882  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        4.965   4.261  -0.101  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        4.154   4.512   1.922  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  28
ATOM     28  O   LIG    1       -0.270   0.387  -0.034  0.00  0.00    -0.347 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -1.358   1.242  -0.350  0.00  0.00    +0.165 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.070   2.604   0.267  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.163   3.611  -0.047  0.00  0.00    +0.158 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -1.855   4.837   0.600  0.00  0.00    -0.395 OA
ATOM     33  H   LIG    1       -2.538   5.481   0.345  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 9