REMARK  Name = BDB021681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.982   2.263   0.858  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.217   1.777   0.421  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.228   0.456   0.045  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.341   0.073  -0.233  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.212   2.499   0.386  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -1.414  -1.165   0.345  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.046   0.096  -0.045  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -0.986   1.164  -0.285  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.282   1.502   1.031  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -0.192   0.323   2.018  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -0.408  -1.067   1.411  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -2.334  -2.319   0.504  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -2.957  -2.699  -0.852  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.407  -2.102   1.607  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.606  -3.365   1.245  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.241  -3.354   1.932  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.354  -0.344  -0.251  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        3.118  -1.595  -0.841  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        4.171  -2.469  -1.147  0.00  0.00    +0.132 A 
ATOM     20  C   LIG    1        5.478  -2.084  -0.860  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        5.724  -0.842  -0.264  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.668   0.020   0.046  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  O   LIG    1        3.776  -3.649  -1.716  0.00  0.00    -0.406 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.773  -4.614  -2.008  0.00  0.00    +0.575 C 
ATOM     25  F   LIG    1        5.438  -4.978  -0.888  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        5.644  -4.151  -2.934  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        4.172  -5.720  -2.515  0.00  0.00    -0.133 F 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  28
ATOM     28  C   LIG    1        0.913   3.702   1.157  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.155   4.472   0.100  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        0.678   4.596  -1.196  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -0.027   5.287  -2.180  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.258   5.868  -1.881  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.785   5.762  -0.594  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.083   5.067   0.392  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9