REMARK  Name = BDB046343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.305  -1.425   2.071  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.057  -0.435   1.381  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.068   0.294   0.755  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.439  -0.110   1.065  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -3.466   0.488   0.131  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1       -3.145   1.375  -0.832  0.00  0.00    +0.026 A 
ATOM      7  N   LIG    1       -4.094   1.884  -1.684  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -3.831   2.543  -2.408  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -5.430   1.565  -1.657  0.00  0.00    +0.257 A 
ATOM     10  C   LIG    1       -5.850   0.602  -0.612  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -7.201   0.240  -0.520  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -7.612  -0.658   0.460  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.677  -1.191   1.343  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.327  -0.828   1.250  0.00  0.00    +0.009 A 
ATOM     15  O   LIG    1       -6.224   2.055  -2.451  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -1.738   1.867  -1.023  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1       -4.887   0.075   0.268  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1       -0.887   1.642   0.223  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1        1.370   0.043   1.165  0.00  0.00    +0.097 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.397  -0.902   1.794  0.00  0.00    +0.024 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.836  -0.386   1.658  0.00  0.00    +0.085 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.259  -0.160   0.268  0.00  0.00    -0.302 NA
ATOM     23  C   LIG    1        4.283  -1.409  -0.516  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1        5.247  -1.383  -1.711  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        5.374   0.017  -2.291  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        5.827   1.013  -1.221  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        5.547   0.534   0.209  0.00  0.00    +0.084 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 4