REMARK  Name = BDB051716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.180   1.300   0.244  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        1.198   0.272   0.230  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        1.277  -1.210   0.085  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        0.045  -1.912   0.713  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -1.254  -1.163   0.545  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -1.291   0.218   0.439  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -2.412   0.949   0.354  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1       -3.561   0.265   0.373  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1       -3.641  -1.070   0.495  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -2.487  -1.759   0.584  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -0.018   0.912   0.384  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        0.268   2.239   0.492  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -0.654   3.333   0.684  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        1.590   2.499   0.420  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  17
ATOM     15  N   LIG    1        4.047   0.240  -0.845  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        3.333  -0.111  -1.467  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        3.643   1.193   0.080  0.00  0.00    +0.265 C 
ATOM     18  O   LIG    1        4.443   1.909   0.677  0.00  0.00    -0.268 OA
BRANCH  15  20
ATOM     19  C   LIG    1        5.598   1.287  -2.413  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        5.426   0.214  -1.332  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.820  -1.175  -1.910  0.00  0.00    +0.105 C 
BRANCH  21  22
ATOM     22  N   LIG    1        6.052  -2.298  -0.983  0.00  0.00    -0.307 NA
ATOM     23  C   LIG    1        7.212  -2.075  -0.121  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1        4.886  -2.659  -0.189  0.00  0.00    +0.104 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  17
BRANCH   8  25
ATOM     25  N   LIG    1       -4.711   1.035   0.265  0.00  0.00    -0.311 N 
ATOM     26  H   LIG    1       -4.428   1.978   0.508  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -5.879   0.528   0.967  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -6.653  -0.504   0.127  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -8.050   0.071  -0.082  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -8.241   1.018   1.089  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -6.875   1.672   1.211  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 6