REMARK  Name = BDB049813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.030   0.329   0.067  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.629   0.251   0.188  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        2.984   1.064   1.116  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        1.657   0.744   0.989  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1        0.903   1.112   1.550  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        1.521  -0.210   0.008  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1        3.652   1.964   1.949  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.043   2.033   1.816  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        2.706  -0.532  -0.480  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        5.723   1.234   0.894  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.082  -1.385  -1.661  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.073  -1.486  -1.560  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.575  -1.986  -2.304  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.789  -0.505  -0.894  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        7.007  -0.412  -0.998  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1        0.270  -0.814  -0.422  0.00  0.00    +0.280 C 
ATOM     17  N   LIG    1       -0.848  -0.003  -0.253  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1       -0.676   0.992  -0.265  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        0.180  -1.936  -0.911  0.00  0.00    -0.267 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.146  -0.445  -0.760  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1       -3.201   0.679  -0.645  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -3.548   0.899   0.839  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -4.099  -0.404   1.438  0.00  0.00    +0.085 C 
ATOM     24  N   LIG    1       -4.090  -1.505   0.454  0.00  0.00    -0.301 NA
ATOM     25  C   LIG    1       -4.940  -1.132  -0.696  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -4.479   0.184  -1.343  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1       -2.695  -1.701  -0.022  0.00  0.00    +0.107 C 
ENDBRANCH  17  20
ENDBRANCH   6  16
TORSDOF 3