REMARK  Name = BDB032780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.707  -1.088  -0.968  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.541   0.040  -0.967  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.800  -0.093  -0.412  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.861   0.910  -0.279  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.972   0.263   0.253  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.633  -1.090   0.693  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.742   2.082  -0.580  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.257  -1.281   0.148  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -2.444  -2.399   0.170  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.165  -2.296  -0.391  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.146   0.989   0.751  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -7.201   0.048   1.356  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -7.055  -0.500   2.448  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.263  -0.291   0.552  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.897  -0.983   0.929  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.418  -0.016  -0.783  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.271  -0.595  -1.448  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.452   0.971  -1.389  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.827   1.853  -0.319  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.686  -0.997  -1.541  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.534  -0.449  -0.529  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        3.529   0.204   0.135  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        2.951   0.409   0.939  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        2.835  -0.341  -0.906  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.257  -0.689  -1.998  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1        7.627   1.167   0.520  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        7.154   0.614  -0.677  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        5.801   0.286  -0.830  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.899   0.505   0.211  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1        5.367   1.060   1.407  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        6.718   1.387   1.562  0.00  0.00    +0.011 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.880   0.304   1.196  0.00  0.00    +0.090 C 
ATOM     33  C   LIG    1        9.093   1.503   0.688  0.00  0.00    +0.271 C 
ATOM     34  F   LIG    1        9.669   1.913  -0.480  0.00  0.00    -0.201 F 
ATOM     35  F   LIG    1        9.292   2.530   1.566  0.00  0.00    -0.201 F 
ENDBRANCH  26  33
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6