REMARK  Name = BDB042693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.639  -1.564  -1.467  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        0.682  -1.466  -1.041  0.00  0.00    -0.301 N 
ATOM      3  C   LIG    1        1.208  -0.435  -0.146  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        2.152  -1.019   0.902  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        3.143  -2.028   0.307  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        3.085  -2.133  -1.215  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.647  -2.377  -1.656  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -0.996  -2.428  -2.268  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1        4.506  -1.864   0.822  0.00  0.00    -0.341 N 
ATOM     10  H   LIG    1        4.976  -2.759   0.947  0.00  0.00    +0.146 HD
BRANCH   9  11
ATOM     11  C   LIG    1        5.403  -0.852   0.509  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.055   0.372  -0.065  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        6.009   1.374  -0.294  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        7.347   1.186   0.069  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        7.701  -0.015   0.688  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        6.740  -1.009   0.909  0.00  0.00    +0.023 A 
BRANCH  14  17
ATOM     17  C   LIG    1        8.368   2.273  -0.154  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        8.100   3.042  -1.246  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        8.448   3.133   0.898  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.629   1.792  -0.341  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  C   LIG    1       -1.627  -0.563  -0.896  0.00  0.00    +0.102 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.030  -0.761  -1.476  0.00  0.00    +0.062 C 
BRANCH  22  30
ATOM     23  C   LIG    1       -7.079  -0.880   2.003  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -6.903   0.517   1.475  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -5.905   0.850   0.533  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -5.805   2.183   0.084  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -4.760   2.541  -0.907  0.00  0.00    +0.257 A 
ATOM     28  N   LIG    1       -3.939   1.520  -1.326  0.00  0.00    -0.326 N 
ATOM     29  H   LIG    1       -3.248   1.786  -2.018  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -4.019   0.218  -0.892  0.00  0.00    +0.020 A 
ATOM     31  O   LIG    1       -4.632   3.683  -1.331  0.00  0.00    -0.267 OA
ATOM     32  C   LIG    1       -6.670   3.176   0.551  0.00  0.00    +0.052 A 
ATOM     33  C   LIG    1       -7.642   2.833   1.474  0.00  0.00    +0.124 A 
ATOM     34  F   LIG    1       -8.479   3.773   1.933  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -4.958  -0.141  -0.003  0.00  0.00    +0.030 A 
ATOM     36  C   LIG    1       -7.767   1.526   1.936  0.00  0.00    +0.042 A 
ENDBRANCH  22  30
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6