REMARK  Name = BDB016783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.477   0.749   0.208  0.00  0.00    +0.143 A 
ATOM      2  N   LIG    1        1.598   1.519   0.972  0.00  0.00    -0.323 N 
ATOM      3  C   LIG    1        1.914   2.612   1.857  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        0.354   1.100   0.649  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -1.012   1.370   0.925  0.00  0.00    +0.270 C 
ATOM      6  N   LIG    1       -1.742   0.492   0.064  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1       -0.809  -0.389  -0.733  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -1.409   2.200   1.724  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.501   0.127  -0.279  0.00  0.00    +0.097 A 
ATOM     10  N   LIG    1        1.801  -0.069  -0.601  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.129   0.454  -0.105  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.726  -0.358  -1.002  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.100  -0.407  -1.179  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.637  -1.330  -2.169  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.979   0.383  -0.445  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -7.200   0.367  -0.576  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -5.343   1.292   0.557  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -6.263   2.150   1.365  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -4.005   1.299   0.691  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   7  20
ATOM     20  C   LIG    1       -0.818  -1.862  -0.365  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -0.341  -2.800  -1.301  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.332  -4.166  -1.007  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.796  -4.612   0.227  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.788  -6.293   0.588  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.264  -3.703   1.171  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.272  -2.336   0.880  0.00  0.00    +0.007 A 
ENDBRANCH   7  20
BRANCH   1  30
ATOM     27  C   LIG    1        6.679   0.994   0.130  0.00  0.00    +0.214 A 
ATOM     28  N   LIG    1        6.008   0.932  -1.038  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1        4.657   0.843  -0.954  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1        3.936   0.842   0.238  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1        4.671   0.892   1.423  0.00  0.00    +0.018 A 
ATOM     32  C   LIG    1        6.063   0.974   1.371  0.00  0.00    +0.068 A 
BRANCH  27  34
ATOM     33  C   LIG    1        8.619   1.067  -1.175  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        8.057   1.082   0.134  0.00  0.00    -0.480 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4