REMARK  Name = BDB020833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.028  -0.337   0.813  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.595  -0.051  -0.402  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.960  -0.058  -0.569  0.00  0.00    +0.168 A 
ATOM      4  N   LIG    1       -2.236   0.268  -1.814  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.048   0.453  -2.485  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.761  -0.401   0.558  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -2.068  -0.693   1.685  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -0.075   0.236  -1.629  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.698  -0.674   1.843  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.291  -0.473   0.594  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -4.877  -1.579  -0.301  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.251  -1.107  -1.699  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1       -6.063   0.061  -1.629  0.00  0.00    -0.380 OA
ATOM     14  C   LIG    1       -5.344   1.162  -1.079  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1       -4.978   0.885   0.371  0.00  0.00    +0.036 C 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.400  -0.294   0.939  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.627  -0.736   1.832  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.078   1.002   0.910  0.00  0.00    +0.143 C 
BRANCH  18  21
ATOM     19  F   LIG    1        3.376   2.117   3.162  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        4.130   1.395   2.321  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        3.543   0.820   1.185  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.384   0.092   0.347  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.079  -0.681  -0.882  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.503  -0.932  -1.379  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.417  -0.824  -0.266  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.732  -0.064   0.645  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.308   0.488   1.772  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.490   1.235   2.618  0.00  0.00    +0.042 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4