REMARK  Name = BDB008521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.199   0.402  -0.025  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.065   0.789  -0.264  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.047   0.255   0.485  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        0.782  -0.632   1.503  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.534  -0.968   1.683  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.529  -0.474   0.932  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.157   0.984  -0.851  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -1.693   1.610  -1.492  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -5.727  -0.021  -0.314  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -4.333   0.042  -0.154  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -3.547   0.874  -0.960  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -4.202   1.645  -1.935  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -5.589   1.591  -2.103  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -6.353   0.757  -1.292  0.00  0.00    +0.015 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -6.040  -1.641   1.448  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -6.496  -0.926   0.576  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -7.819  -0.895   0.331  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -8.187  -1.528   0.982  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.342   0.707   0.205  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        2.284   1.398  -0.537  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.581   0.040   0.223  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.750   0.815   0.211  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        6.026   0.225   0.252  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        6.124  -1.171   0.289  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.972  -1.955   0.298  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.712  -1.352   0.268  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.263   1.087   0.220  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        8.352   0.486   0.775  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.626   1.421  -1.049  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.109   2.265   0.887  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7