REMARK  Name = BDB056496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.233  -1.774   0.699  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1       -0.050  -1.405  -0.230  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.400  -2.467   0.913  0.00  0.00    +0.219 C 
ATOM      4  O   LIG    1       -1.805  -2.805   2.020  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        1.433  -2.466   2.382  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.611  -1.317   1.790  0.00  0.00    +0.100 C 
BRANCH   6   7
ATOM      7  C   LIG    1        1.482  -0.170   1.310  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        2.534  -0.371   0.402  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        3.316   0.700  -0.061  0.00  0.00    -0.044 A 
ATOM     10  C   LIG    1        4.457   0.419  -1.008  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1        4.974   1.668  -1.719  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1        5.178   2.801  -0.723  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        3.851   3.187  -0.074  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1        3.056   1.999   0.409  0.00  0.00    -0.044 A 
ATOM     15  C   LIG    1        1.994   2.206   1.299  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        1.216   1.135   1.744  0.00  0.00    +0.006 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1       -2.163  -2.785  -0.347  0.00  0.00    +0.153 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.742  -1.548  -0.995  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1       -3.986  -0.941  -0.461  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -4.466   0.195  -1.110  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -5.637   0.827  -0.671  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -6.326   0.319   0.429  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.846  -0.813   1.087  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.723   0.733  -2.260  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1       -4.110   1.726  -2.866  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -2.576   0.061  -2.607  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1       -2.051   0.421  -3.398  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1       -4.678  -1.444   0.647  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1       -2.085  -1.054  -2.004  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4