REMARK  Name = BDB008515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.881  -0.211  -0.006  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.329   0.117  -0.491  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.407  -0.526  -0.008  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.293  -1.528   0.929  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.024  -1.805   1.365  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.066  -1.160   0.921  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.941   0.512  -0.545  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.577   1.166  -1.222  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.139   0.618  -0.025  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        5.500   1.456  -0.942  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.111   1.401  -1.095  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.323   0.519  -0.337  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.979  -0.302   0.586  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.371  -0.256   0.748  0.00  0.00    +0.015 A 
BRANCH   9  18
ATOM     15  N   LIG    1        8.273  -0.369   0.638  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        7.844  -1.282   0.696  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        9.283  -0.334   0.593  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        7.618   0.707   0.104  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        8.241   1.687  -0.283  0.00  0.00    -0.270 OA
ENDBRANCH   9  18
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1       -2.638  -0.158  -0.562  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1       -2.468   0.552  -1.270  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.917  -0.047   0.013  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -5.025   0.027  -0.845  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1       -6.337   0.114  -0.349  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -6.535   0.145   1.037  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.445   0.076   1.903  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.148  -0.022   1.392  0.00  0.00    +0.023 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.504   0.210  -1.298  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1       -7.326  -0.518  -2.436  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -8.675  -0.229  -0.757  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -7.736   1.488  -1.705  0.00  0.00    -0.166 F 
ENDBRANCH  24  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6