REMARK  Name = BDB016828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.617   0.584   0.797  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.618  -0.159   0.353  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.662   0.792   0.787  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.147   1.932   1.316  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.115   2.797   1.692  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -3.249   2.172   1.403  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -4.604   2.744   1.626  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -3.014   0.903   0.865  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.292   1.871   1.337  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        1.036   2.742   1.761  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        3.479  -3.393  -0.065  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.351  -1.930   0.272  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.493  -1.099   0.491  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        4.282   0.227   0.819  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        5.542   0.761   0.979  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        6.444  -0.175   0.759  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        5.808   2.171   1.341  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        3.021   0.802   0.932  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        1.911   0.064   0.717  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        5.785  -1.343   0.454  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.128  -1.356   0.391  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.637  -0.415  -1.148  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.849  -1.716  -1.639  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.869  -1.967  -3.014  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.680  -0.921  -3.913  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.711  -1.232  -5.604  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.468   0.374  -3.450  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.446   0.626  -2.076  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   8  29
ATOM     29  C   LIG    1       -4.044  -0.063   0.501  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1       -4.346  -0.033  -0.996  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -3.751  -1.479   0.996  0.00  0.00    +0.030 C 
ENDBRANCH   8  29
TORSDOF 3