REMARK  Name = BDB012517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.163   0.575  -0.172  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.584  -0.285   0.814  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.958   0.205   0.590  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -2.036   1.172  -0.368  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -3.375   1.538  -0.478  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -4.088   0.762   0.420  0.00  0.00    +0.090 A 
ATOM      7  N   LIG    1       -3.193  -0.058   1.082  0.00  0.00    -0.351 N 
ATOM      8  C   LIG    1       -3.538  -1.022   2.098  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -0.724   1.444  -0.886  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -0.484   2.276  -1.745  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.197   2.093  -2.673  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.587   1.312  -1.537  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.381   0.566  -0.613  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.731  -0.133   0.385  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        4.733  -0.755   1.099  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        5.901  -0.442   0.573  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        4.505  -1.634   2.266  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.349  -0.141   0.552  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        1.556   0.553  -0.292  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        5.679   0.386  -0.502  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.241   1.290  -1.367  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.452  -1.779   0.566  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.538  -2.325  -0.727  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.424  -3.703  -0.930  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.232  -4.549   0.159  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.094  -6.245  -0.088  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.153  -4.030   1.449  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.267  -2.652   1.653  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   5  29
ATOM     29  C   LIG    1       -3.968   2.585  -1.439  0.00  0.00    +0.021 C 
ATOM     30  C   LIG    1       -4.849   3.677  -0.890  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -3.467   4.004  -1.373  0.00  0.00    +0.009 C 
ENDBRANCH   5  29
TORSDOF 3