REMARK  Name = BDB016878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.579   0.621   0.809  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.539  -0.242   0.302  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.677   0.665   0.542  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.308   1.865   1.049  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.376   2.674   1.234  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -3.419   1.954   0.830  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -4.817   2.458   0.853  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -3.029   0.686   0.403  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.122   1.905   1.240  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.749   2.848   1.696  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1        3.810  -3.166   0.476  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        3.564  -1.711   0.746  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        4.586  -0.810   1.083  0.00  0.00    +0.116 A 
ATOM     14  N   LIG    1        5.934  -1.001   1.240  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        6.482   0.161   1.568  0.00  0.00    -0.065 NA
ATOM     16  N   LIG    1        5.495   1.074   1.609  0.00  0.00    -0.247 N 
ATOM     17  C   LIG    1        5.798   2.438   1.952  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1        4.277   0.521   1.319  0.00  0.00    +0.091 A 
ATOM     19  C   LIG    1        2.973   1.034   1.242  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        1.929   0.156   0.907  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        2.246  -1.196   0.670  0.00  0.00    +0.029 A 
ENDBRANCH   1  20
BRANCH   2  22
ATOM     22  C   LIG    1       -0.409  -0.624  -1.165  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.683  -1.943  -1.570  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.589  -2.311  -2.914  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.224  -1.364  -3.868  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.114  -1.819  -5.523  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.048  -0.052  -3.490  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.046   0.317  -2.146  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   8  29
ATOM     29  C   LIG    1       -3.841  -0.411  -0.108  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1       -4.286  -0.174  -1.550  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -5.013  -0.791   0.796  0.00  0.00    +0.030 C 
ENDBRANCH   8  29
TORSDOF 3