REMARK  Name = BDB027592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.359  -2.019   1.380  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.205  -1.282   1.205  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.077  -1.801   1.655  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.115  -0.748   1.225  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.290   0.541   1.312  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.086   0.115   0.810  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.374  -3.109   1.948  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.118  -0.471   0.009  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.966  -0.948   1.319  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.737  -1.448   1.758  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.642  -1.463   0.892  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.790  -1.015  -0.422  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.022  -0.511  -0.857  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.782   0.507  -1.578  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.389   0.022  -0.351  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        7.100  -0.029   0.365  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.123   0.557  -2.609  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.860   1.548  -0.620  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.201   0.959  -1.627  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.554  -0.974  -0.152  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -2.550  -1.940  -0.465  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.811  -0.484  -0.467  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.264   0.644   0.100  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.481   1.082  -0.250  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1       -6.278   0.401  -1.167  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1       -7.548   0.888  -1.510  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1       -8.040   2.058  -0.946  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.254   2.747  -0.029  0.00  0.00    +0.005 A 
ATOM     29  F   LIG    1       -8.308   0.223  -2.392  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.724  -0.755  -1.686  0.00  0.00    +0.127 A 
ATOM     31  C   LIG    1       -5.987   2.253   0.308  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1       -4.503  -1.213  -1.349  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5