REMARK  Name = BDB011557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.848   0.603  -0.444  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1       -0.504   0.008  -0.774  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1       -0.566  -1.181  -1.123  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.638   0.812  -0.690  0.00  0.00    -0.261 N 
ATOM      5  C   LIG    1       -1.669   2.233  -0.389  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.888   2.777   0.087  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.057   4.125   0.414  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.999   4.999   0.276  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -0.767   4.527  -0.190  0.00  0.00    +0.098 A 
ATOM     10  C   LIG    1       -0.598   3.152  -0.526  0.00  0.00    +0.154 A 
ATOM     11  O   LIG    1        0.669   2.935  -0.986  0.00  0.00    -0.487 OA
ATOM     12  C   LIG    1        1.058   1.674  -1.490  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.113  -0.322  -0.025  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        1.840  -0.470  -0.519  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1        1.515  -1.373  -0.855  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        3.510   0.732   0.468  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.987  -1.594  -0.103  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.947  -2.268   1.267  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.288  -2.287  -0.595  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.333  -1.196  -0.552  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.670  -0.448   0.059  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   9  22
ATOM     22  C   LIG    1        0.380   5.507  -0.345  0.00  0.00    +0.421 C 
ATOM     23  F   LIG    1        1.466   5.196   0.414  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        0.820   5.619  -1.629  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        0.042   6.779   0.025  0.00  0.00    -0.166 F 
ENDBRANCH   9  22
BRANCH   4  26
ATOM     26  C   LIG    1       -2.903   0.099  -0.973  0.00  0.00    +0.173 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.369  -0.718   0.197  0.00  0.00    +0.109 A 
ATOM     28  C   LIG    1       -3.336  -2.133   0.355  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -3.918  -2.345   1.592  0.00  0.00    +0.168 A 
ATOM     30  C   LIG    1       -4.101  -3.596   2.175  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -3.661  -4.696   1.432  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.070  -4.527   0.176  0.00  0.00    +0.001 A 
ATOM     33  O   LIG    1       -4.278  -1.151   2.130  0.00  0.00    -0.354 OA
ATOM     34  C   LIG    1       -2.900  -3.250  -0.380  0.00  0.00    +0.013 A 
ATOM     35  N   LIG    1       -3.947  -0.130   1.257  0.00  0.00    -0.080 NA
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 6