REMARK  Name = BDB008910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.494   0.881  -1.292  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.770   1.945  -0.737  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.441   1.773  -0.344  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.199   0.537  -0.508  0.00  0.00    -0.034 A 
ATOM      5  C   LIG    1       -0.515  -0.519  -1.087  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.846  -0.347  -1.479  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.926   1.086  -1.732  0.00  0.00    +0.092 C 
BRANCH   7  16
ATOM      8  O   LIG    1       -7.374  -2.950  -0.243  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -6.614  -2.029  -0.522  0.00  0.00    +0.268 A 
ATOM     10  C   LIG    1       -6.298  -0.953   0.450  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -6.989  -1.030   1.783  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -6.897   0.274   2.578  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -5.488   0.850   2.517  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -5.062   1.125   1.071  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -5.441   0.028   0.116  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -4.877  -0.015  -1.270  0.00  0.00    +0.069 A 
ATOM     17  N   LIG    1       -5.154  -0.947  -2.135  0.00  0.00    -0.175 NA
ATOM     18  N   LIG    1       -6.005  -1.930  -1.743  0.00  0.00    -0.243 N 
ATOM     19  H   LIG    1       -6.211  -2.654  -2.424  0.00  0.00    +0.192 HD
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        1.639   0.359  -0.087  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.529   1.132  -0.950  0.00  0.00    -0.312 NA
ATOM     22  H   LIG    1        2.374   0.860  -1.920  0.00  0.00    +0.122 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.941   0.982  -0.594  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.558  -0.351  -1.045  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.033  -0.420  -0.725  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        6.469  -0.914   0.513  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        7.838  -0.972   0.825  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        8.769  -0.506  -0.116  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        8.342  -0.008  -1.346  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.981   0.035  -1.649  0.00  0.00    +0.004 A 
BRANCH  27  31
ATOM     31  C   LIG    1        8.296  -1.487   2.167  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        7.475  -2.447   2.678  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.350  -0.504   3.108  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.539  -2.043   2.134  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8