REMARK  Name = BDB053099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.398  -2.883  -1.331  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.993  -1.828  -1.230  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.609  -0.693  -0.541  0.00  0.00    -0.261 N 
ATOM      4  C   LIG    1       -1.546   0.405  -0.697  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -2.612  -0.206  -1.570  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -3.778   0.347  -2.078  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.595  -0.456  -2.882  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.242  -1.787  -3.172  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.064  -2.337  -2.664  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.276  -1.526  -1.871  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.082   0.930   0.631  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.119   2.309   0.908  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.624   2.786   2.122  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.103   1.891   3.073  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.725   2.479   4.565  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.082   0.522   2.823  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.577   0.045   1.610  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.872   1.413  -1.430  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -0.742   1.049  -2.320  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        0.669  -0.566   0.142  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.822  -0.265  -0.821  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.146  -0.190  -0.099  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        3.604   1.031   0.417  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.820   1.100   1.100  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        5.581  -0.063   1.273  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.132  -1.290   0.769  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        3.914  -1.349   0.087  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  N   LIG    1        6.860   0.004   1.990  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        7.504  -1.046   2.124  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        7.223   1.109   2.421  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6