REMARK  Name = BDB033102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.195  -0.002   1.833  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.096   0.533   1.220  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.119  -0.286   1.816  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.610  -1.481   2.299  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.254  -2.414   2.752  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.115  -1.475   2.104  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.846  -0.133   2.713  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.634   0.069   1.521  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.366   0.189   0.988  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.251   0.046  -0.007  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.785   0.138   0.579  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        5.016  -0.422   0.952  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        6.105  -0.388   0.083  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        5.984   0.223  -1.165  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.771   0.809  -1.555  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1        3.677   0.771  -0.669  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1        4.649   1.510  -2.888  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        5.493   1.017  -3.835  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.397   1.411  -3.416  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.914   2.841  -2.798  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1        5.231  -1.024   2.163  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1        4.450  -0.847   2.735  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -3.537  -0.027   1.643  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.019  -0.364   0.245  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -4.342   0.622  -0.717  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -4.768   0.215  -1.997  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -4.877  -1.136  -2.325  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.563  -2.104  -1.379  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.139  -1.722  -0.107  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.250   2.100  -0.413  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -2.989   2.481  -0.062  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.593   2.900  -1.462  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.057   2.477   0.616  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7