REMARK  Name = BDB012516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.164   0.568  -0.194  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.567  -0.253   0.837  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.941   0.244   0.629  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -2.033   1.181  -0.357  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -3.371   1.557  -0.448  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -4.069   0.818   0.491  0.00  0.00    +0.090 A 
ATOM      7  N   LIG    1       -3.167   0.010   1.158  0.00  0.00    -0.351 N 
ATOM      8  C   LIG    1       -3.497  -0.918   2.212  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -0.731   1.423  -0.914  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -0.503   2.224  -1.804  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.152   1.964  -2.836  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.562   1.225  -1.662  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.370   0.501  -0.733  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.737  -0.160   0.301  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        4.751  -0.770   1.011  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        5.908  -0.486   0.448  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        4.541  -1.609   2.210  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.360  -0.148   0.501  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        1.554   0.528  -0.346  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        5.669   0.310  -0.647  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.220   1.222  -1.460  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.456  -1.756   0.632  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.578  -2.341  -0.640  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.483  -3.725  -0.801  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.272  -4.539   0.308  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.157  -6.243   0.112  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.158  -3.980   1.579  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.253  -2.596   1.742  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   5  29
ATOM     29  C   LIG    1       -3.975   2.580  -1.427  0.00  0.00    +0.021 C 
ATOM     30  C   LIG    1       -4.832   3.698  -0.892  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -3.459   3.995  -1.418  0.00  0.00    +0.009 C 
ENDBRANCH   5  29
TORSDOF 3