REMARK  Name = BDB063590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.630  -0.645   1.438  0.00  0.00    -0.193 N 
ATOM      2  C   LIG    1        1.597   0.320   1.665  0.00  0.00    +0.316 C 
ATOM      3  O   LIG    1        1.502   1.541   1.627  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        2.792  -0.316   1.966  0.00  0.00    -0.272 N 
ATOM      5  C   LIG    1        2.686  -1.740   1.862  0.00  0.00    +0.206 C 
ATOM      6  C   LIG    1        1.212  -1.896   1.545  0.00  0.00    +0.245 C 
ATOM      7  O   LIG    1        0.712  -3.007   1.403  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1       -3.962  -2.367   0.521  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -3.030  -1.191   0.631  0.00  0.00    -0.007 A 
ATOM     10  C   LIG    1       -3.456   0.122   0.403  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1       -2.580   1.188   0.621  0.00  0.00    -0.007 A 
ATOM     12  C   LIG    1       -3.011   2.622   0.480  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -1.235   0.918   0.948  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -0.744  -0.387   1.114  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -1.678  -1.425   0.959  0.00  0.00    +0.031 A 
BRANCH  10  16
ATOM     16  O   LIG    1       -4.756   0.381   0.069  0.00  0.00    -0.475 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -5.097   0.362  -1.344  0.00  0.00    +0.200 C 
ATOM     18  C   LIG    1       -5.735   1.718  -1.670  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -3.967   0.071  -2.345  0.00  0.00    +0.067 C 
BRANCH  17  20
ATOM     20  C   LIG    1       -6.215  -0.685  -1.501  0.00  0.00    +0.348 C 
ATOM     21  O   LIG    1       -6.535  -1.223  -2.550  0.00  0.00    -0.247 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -6.869  -0.936  -0.338  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1       -6.424  -0.453   0.395  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  14
BRANCH   4  24
ATOM     24  C   LIG    1        4.057   0.361   2.174  0.00  0.00    +0.145 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.935   0.314   0.948  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.601   1.062  -0.190  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        5.400   1.009  -1.334  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        6.549   0.205  -1.364  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        6.889  -0.534  -0.221  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        6.087  -0.483   0.923  0.00  0.00    +0.006 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.428   0.156  -2.589  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        7.875  -1.102  -2.865  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.803   0.583  -3.721  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.543   0.928  -2.460  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8