REMARK  Name = BDB047053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.469   3.472   0.720  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.979   2.298   0.155  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.204   1.117   0.123  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.456  -0.206  -0.350  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        0.685  -0.959  -0.089  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1        1.663  -0.116   0.451  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1        3.014  -0.441   0.744  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1        3.577   0.172   1.651  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        0.857  -2.433  -0.264  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1        1.083   1.140   0.660  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        1.608   2.320   1.223  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        0.815   3.475   1.249  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        3.822  -1.446   0.016  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        4.675  -2.289   0.739  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        5.467  -3.222   0.064  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        5.417  -3.295  -1.328  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        6.391  -4.444  -2.157  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        4.588  -2.439  -2.054  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        3.795  -1.504  -1.383  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -0.879   5.745   1.286  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -1.327   4.537   0.685  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1       -1.727  -0.684  -1.002  0.00  0.00    +0.073 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.833  -0.735   0.035  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1       -4.148  -0.319  -0.271  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.153  -0.329   0.711  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.884  -0.803   1.992  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.612  -1.274   2.296  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.603  -1.248   1.329  0.00  0.00    +0.005 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -4.574   0.141  -1.612  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -5.323   1.070  -1.846  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.122  -0.664  -2.589  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -4.531  -0.295  -3.400  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6