REMARK  Name = BDB051271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.678  -0.107  -0.487  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1        2.005  -0.488  -0.453  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        2.608  -1.722  -0.589  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        2.048  -2.545  -0.795  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        3.979  -1.857  -0.510  0.00  0.00    +0.259 A 
ATOM      6  C   LIG    1        4.777  -0.618  -0.260  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        4.146   0.627  -0.131  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1        4.882   1.793   0.094  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        6.272   1.706   0.193  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        6.913   0.470   0.068  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.170  -0.692  -0.160  0.00  0.00    +0.015 A 
ATOM     12  O   LIG    1        4.528  -2.947  -0.635  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1        2.748   0.647  -0.240  0.00  0.00    -0.215 N 
ATOM     14  N   LIG    1        1.989   1.759  -0.158  0.00  0.00    -0.172 NA
ATOM     15  C   LIG    1        0.747   1.301  -0.347  0.00  0.00    +0.150 A 
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1       -6.115   0.247  -0.347  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -4.650   0.194  -0.259  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -4.217  -1.198  -0.024  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -2.811  -1.529  -0.556  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1       -1.687  -0.699  -0.118  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1       -0.452  -0.993  -0.712  0.00  0.00    +0.252 C 
ATOM     22  O   LIG    1       -0.305  -1.992  -1.417  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1       -1.855   0.101   1.092  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -2.691   1.347   0.837  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.198   1.094   0.813  0.00  0.00    +0.085 C 
ENDBRANCH   1  21
TORSDOF 1