REMARK  Name = BDB053087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.643  -1.079  -3.459  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.127  -0.347  -2.636  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.065  -0.504  -1.262  0.00  0.00    -0.256 N 
ATOM      4  C   LIG    1       -0.201   0.497  -0.637  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1        0.187   1.374  -1.810  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.967   2.521  -1.859  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.163   3.137  -3.100  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.586   2.607  -4.269  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.198   1.454  -4.214  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.382   0.868  -2.976  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.934   1.343   0.419  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.290   1.741   1.607  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.954   2.518   2.561  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.268   2.919   2.337  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.087   3.864   3.518  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.921   2.558   1.163  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.257   1.781   0.209  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1       -1.465  -1.754  -0.627  0.00  0.00    +0.166 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.073  -1.629   0.750  0.00  0.00    +0.059 A 
ATOM     20  N   LIG    1       -3.397  -1.337   0.822  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1       -3.938  -1.192   2.051  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -3.224  -1.330   3.228  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.872  -1.638   3.142  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -1.286  -1.792   1.889  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  25
ATOM     25  O   LIG    1        0.912  -0.165  -0.019  0.00  0.00    -0.347 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.897  -0.727  -0.880  0.00  0.00    +0.172 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.884  -1.499  -0.023  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1        3.600  -2.674  -0.668  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        2.528  -2.926   0.355  0.00  0.00    +0.012 C 
BRANCH  27  30
ATOM     30  C   LIG    1        3.625  -0.621   0.965  0.00  0.00    +0.165 C 
BRANCH  30  31
ATOM     31  O   LIG    1        4.738  -1.285   1.550  0.00  0.00    -0.394 OA
ATOM     32  H   LIG    1        4.385  -2.005   2.096  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 8