REMARK  Name = BDB006604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.286  -0.503   0.223  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.206   0.103  -1.067  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.627  -0.292  -1.038  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -2.830  -0.241  -1.765  0.00  0.00    +0.171 A 
ATOM      5  N   LIG    1       -3.812  -0.872  -1.066  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -3.204  -1.320   0.060  0.00  0.00    -0.255 N 
ATOM      7  C   LIG    1       -1.905  -0.987   0.097  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -0.775  -1.149   0.933  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1       -0.765  -1.728   2.004  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        3.824  -1.532   3.588  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        3.352  -0.978   2.281  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        4.390  -0.367   1.397  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        5.566  -0.341   1.751  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        3.922   0.149   0.192  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        4.866   0.774  -0.723  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        2.586   0.095  -0.174  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        1.631  -0.455   0.604  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.069  -1.002   1.879  0.00  0.00    +0.033 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1       -0.201   1.619  -1.112  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        0.049   2.270  -2.335  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.055   3.665  -2.416  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.187   4.427  -1.276  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -0.175   6.143  -1.376  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.436   3.805  -0.056  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.445   2.410   0.026  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   4  26
ATOM     26  C   LIG    1       -3.051   0.399  -3.108  0.00  0.00    +0.436 C 
ATOM     27  F   LIG    1       -3.370   1.714  -3.001  0.00  0.00    -0.164 F 
ATOM     28  F   LIG    1       -1.918   0.338  -3.865  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -4.029  -0.195  -3.837  0.00  0.00    -0.164 F 
ENDBRANCH   4  26
BRANCH   6  30
ATOM     30  C   LIG    1       -3.918  -2.073   1.106  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -3.623  -3.528   1.389  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -4.937  -3.139   0.780  0.00  0.00    +0.029 C 
ENDBRANCH   6  30
TORSDOF 4