REMARK  Name = BDB036396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.087   0.265   1.261  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.867  -0.604   0.522  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.999  -0.438   0.115  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.063  -1.810   0.298  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.803  -1.611   0.866  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.167  -2.606   0.792  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.179  -3.795   0.120  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.456  -3.977  -0.445  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.418  -2.972  -0.359  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.744  -0.248   1.478  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        5.854   3.121  -0.272  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.818   2.707   0.246  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        4.796   2.334   1.565  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.688   2.357   2.037  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.764   1.763   2.271  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.950   1.320   3.404  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        2.415   1.655   1.553  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        2.310   2.601   0.360  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        3.535   2.564  -0.536  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1       -1.547  -2.422   1.360  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.450  -1.907   0.356  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.641  -2.497  -0.443  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.806  -0.581   0.311  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1       -2.464   0.259   1.131  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.650  -0.186  -0.842  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -3.345   0.954  -1.604  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1       -4.209   1.301  -2.661  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -5.335   0.529  -2.953  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.623  -0.600  -2.192  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.787  -0.958  -1.135  0.00  0.00    +0.013 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -2.123   1.793  -1.329  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1       -1.822   2.626  -2.371  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -0.992   1.058  -1.141  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -2.250   2.611  -0.251  0.00  0.00    -0.166 F 
ENDBRANCH  26  31
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5