REMARK  Name = BDB055054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.657   0.659  -0.117  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -0.555  -0.114   0.251  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.669   0.699   0.970  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.050   1.718   1.931  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.086   2.642   1.197  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        1.014   1.837   0.535  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        2.161   2.284   0.516  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.155  -0.815  -0.972  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.395  -0.115  -2.168  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.952  -0.764  -3.271  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.280  -2.116  -3.187  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.967  -2.914  -4.547  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.053  -2.824  -2.010  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.493  -2.177  -0.906  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.673  -0.193   1.696  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.999  -0.262   1.238  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.926  -1.087   1.875  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -6.544  -1.161   1.294  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.551  -1.854   2.975  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.239  -1.797   3.439  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.305  -0.974   2.804  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.779  -0.105  -0.740  0.00  0.00    +0.185 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.722  -0.642   0.362  0.00  0.00    +0.328 C 
ATOM     24  O   LIG    1        2.341  -0.961   1.486  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.993  -0.808  -0.093  0.00  0.00    -0.464 OA
BRANCH  25  27
ATOM     26  C   LIG    1        4.946  -2.818   0.858  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        4.946  -1.301   0.860  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  28
ATOM     28  C   LIG    1        2.462   0.700  -1.865  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1        2.942  -0.188  -3.009  0.00  0.00    +0.006 C 
ENDBRANCH  22  28
ENDBRANCH   1  22
BRANCH   5  30
ATOM     30  C   LIG    1       -0.769   3.523   0.149  0.00  0.00    +0.133 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.115   4.686  -0.203  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1        0.364   5.642   0.511  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        0.652   4.573  -1.431  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        1.260   5.340  -1.496  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 10