REMARK  Name = BDB003391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.672  -1.607  -0.028  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.505  -0.900  -0.379  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        0.767  -1.423  -0.113  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        0.876  -2.668   0.508  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.228  -3.204   0.778  0.00  0.00    +0.258 A 
ATOM      6  N   LIG    1        3.289  -2.417   0.393  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        4.198  -2.800   0.608  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        3.207  -1.181  -0.202  0.00  0.00    +0.104 A 
ATOM      9  O   LIG    1        2.395  -4.293   1.317  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -0.264  -3.390   0.867  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.982  -0.691  -0.476  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -1.528  -2.858   0.598  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -4.616   0.793  -0.177  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -3.347   0.254   0.089  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.007  -1.051  -0.310  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -3.979  -1.805  -0.987  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -5.244  -1.277  -1.256  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.564   0.019  -0.853  0.00  0.00    +0.011 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -6.290   2.745   0.088  0.00  0.00    +0.091 C 
ATOM     20  C   LIG    1       -4.902   2.187   0.275  0.00  0.00    +0.160 C 
ATOM     21  O   LIG    1       -4.010   2.862   0.784  0.00  0.00    -0.292 OA
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   8  22
ATOM     22  N   LIG    1        4.378  -0.543  -0.547  0.00  0.00    -0.301 N 
ATOM     23  H   LIG    1        5.194  -1.142  -0.536  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.712   0.824  -0.454  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1        5.838   1.281  -1.157  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        6.203   2.630  -1.140  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.441   3.548  -0.424  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.316   3.116   0.272  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.953   1.765   0.252  0.00  0.00    +0.023 A 
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 4