REMARK  Name = BDB031559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.012   0.064  -0.697  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -1.480   0.085   0.696  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -2.179   1.110   1.571  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.107   0.532   0.106  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -0.627  -0.140  -1.190  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -2.815  -1.141  -0.947  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1      -10.333   0.306   1.357  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -8.941   0.179   0.826  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -8.497   1.235  -0.142  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -9.237   2.154  -0.478  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -7.223   1.129  -0.637  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -6.936   1.849  -1.286  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -6.345   0.100  -0.279  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -6.755  -0.882   0.621  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -5.973  -1.908   1.020  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -4.725  -1.948   0.497  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -4.218  -1.014  -0.407  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -5.061   0.032  -0.804  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -8.103  -0.813   1.174  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  O   LIG    1        1.050  -0.055   0.744  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.285   0.144   0.189  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.338  -0.576   0.748  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        4.624  -0.507   0.329  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        4.866   0.341  -0.709  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        3.886   1.105  -1.329  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        2.573   1.004  -0.867  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.287   0.421  -1.176  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1        7.162  -0.375  -0.463  0.00  0.00    -0.307 N 
ATOM     29  H   LIG    1        6.722  -0.934   0.268  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1        6.620   1.138  -2.112  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1        8.587  -0.478  -0.784  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        9.422   0.777  -0.454  0.00  0.00    +0.098 C 
ATOM     33  C   LIG    1       10.537  -0.179   0.023  0.00  0.00    +0.252 C 
ATOM     34  F   LIG    1       11.224   0.215   1.118  0.00  0.00    -0.206 F 
ATOM     35  F   LIG    1       11.452  -0.521  -0.913  0.00  0.00    -0.206 F 
ATOM     36  C   LIG    1        9.426  -1.226   0.271  0.00  0.00    +0.098 C 
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6