REMARK  Name = BDB025225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.635  -0.140  -1.171  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.564  -0.846  -0.595  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.802  -2.274  -0.295  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.760  -2.446   0.895  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.535  -3.094  -0.003  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.392  -2.650  -0.890  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.137  -1.200  -0.595  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.833  -0.676  -0.483  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.367  -1.326  -0.594  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.306  -0.417  -0.417  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1       -0.744   0.825  -0.174  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.634   0.671  -0.215  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.705   1.552  -0.040  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.999   1.028  -0.164  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.235  -0.322  -0.458  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.769  -0.600  -1.281  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.411   2.094   0.106  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.308   2.596  -1.033  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -2.937   3.936  -0.663  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -3.656   3.863   0.609  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -4.433   3.205   0.531  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.777   3.471   1.708  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1       -2.130   2.110   1.463  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        6.374   1.775  -2.315  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        5.303   1.085  -1.672  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.774  -0.749  -0.469  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1       -3.178  -1.039  -1.920  0.00  0.00    +0.017 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -3.057  -1.954   0.446  0.00  0.00    +0.154 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.403  -1.924   0.997  0.00  0.00    -0.269 N 
ATOM     30  N   LIG    1       -5.462  -2.226   0.221  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1       -6.505  -2.088   1.046  0.00  0.00    +0.154 A 
ATOM     32  C   LIG    1       -6.115  -1.690   2.335  0.00  0.00    +0.078 A 
ATOM     33 CL   LIG    1       -7.131  -1.402   3.655  0.00  0.00    -0.080 Cl
ATOM     34  C   LIG    1       -4.748  -1.589   2.277  0.00  0.00    +0.128 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 5