REMARK  Name = BDB021197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.988   0.273   0.322  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.411  -1.029   0.245  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.958  -1.115   0.402  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.292  -2.448   0.343  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.105  -3.104   0.113  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.770   0.011   0.619  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.232   1.194   0.729  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.945  -2.221   0.050  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.136   1.292   0.574  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        5.224   1.029  -0.066  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.295   1.787  -0.781  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1        4.719   2.764  -1.598  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        2.927   1.549  -0.662  0.00  0.00    +0.167 A 
ATOM     14  F   LIG    1        2.077   2.297  -1.385  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1        2.438   0.551   0.190  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        3.369  -0.212   0.911  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        4.743   0.029   0.791  0.00  0.00    +0.008 A 
BRANCH  10  18
ATOM     18  C   LIG    1        6.703   1.315  -0.186  0.00  0.00    +0.122 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.937   0.418  -0.211  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        7.519   0.105  -0.401  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1        7.312  -0.444  -1.746  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  15
BRANCH   5  22
ATOM     22  C   LIG    1        0.088  -4.515  -0.035  0.00  0.00    +0.121 C 
ATOM     23  N   LIG    1        0.215  -5.663  -0.152  0.00  0.00    -0.189 NA
ENDBRANCH   5  22
BRANCH   6  24
ATOM     24  N   LIG    1       -3.134  -0.126   0.748  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.490   0.737   1.156  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.925  -0.424  -0.442  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.352  -0.656  -0.047  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.268   0.379   0.108  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.123   1.835  -0.133  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.413   2.328   0.524  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -8.365   1.241   0.562  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.583   0.119   0.476  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -8.046  -1.160   0.710  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -7.139  -2.212   0.580  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.813  -1.955   0.210  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -4.970  -2.991   0.089  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 7