REMARK  Name = BDB016779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.610   0.206   1.239  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.499   0.411   0.246  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.650   0.510   1.168  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.296   0.326   2.468  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.360   0.407   3.297  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -3.387   0.659   2.496  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -4.793   0.815   2.957  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -2.984   0.765   1.161  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.127   0.119   2.579  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.734  -0.053   3.624  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1        5.345  -0.765   2.481  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        4.359  -0.321   1.441  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        4.725   0.030   0.133  0.00  0.00    +0.116 A 
ATOM     14  N   LIG    1        5.953   0.061  -0.475  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        5.785   0.464  -1.727  0.00  0.00    -0.065 NA
ATOM     16  N   LIG    1        4.470   0.674  -1.909  0.00  0.00    -0.247 N 
ATOM     17  C   LIG    1        3.999   1.112  -3.195  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1        3.749   0.426  -0.771  0.00  0.00    +0.091 A 
ATOM     19  C   LIG    1        2.387   0.507  -0.443  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        1.989   0.155   0.860  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        2.983  -0.249   1.770  0.00  0.00    +0.029 A 
ENDBRANCH   1  20
BRANCH   2  22
ATOM     22  C   LIG    1       -0.627  -0.741  -0.742  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.672  -0.484  -2.124  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.790  -1.531  -3.042  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.863  -2.846  -2.590  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.011  -4.131  -3.723  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.818  -3.123  -1.227  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.701  -2.077  -0.308  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   8  29
ATOM     29  C   LIG    1       -3.856   1.104   0.043  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1       -3.268   2.167  -0.884  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -4.307  -0.137  -0.722  0.00  0.00    +0.030 C 
ENDBRANCH   8  29
TORSDOF 3