REMARK  Name = BDB046090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.071   0.747  -0.043  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -2.208  -0.050  -0.061  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -2.262  -1.542  -0.041  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -3.411  -2.080  -0.888  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -4.710  -1.895  -0.271  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -5.320  -2.702  -0.215  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -5.395  -0.728  -0.055  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -4.751   0.606  -0.163  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -5.594   1.734  -0.242  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.076   3.025  -0.302  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.699   3.241  -0.274  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.868   2.118  -0.187  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -6.589  -0.807   0.235  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -3.352   0.809  -0.135  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -1.497   2.050  -0.128  0.00  0.00    -0.354 N 
ATOM     16  H   LIG    1       -0.884   2.853  -0.120  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        3.106  -0.251   0.258  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        2.174  -0.712   1.201  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        0.814  -0.388   1.100  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        0.345   0.407   0.053  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1        1.258   0.875  -0.893  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.616   0.550  -0.792  0.00  0.00    +0.005 A 
BRANCH  17  24
ATOM     23  C   LIG    1        5.426   0.715   0.448  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        4.605  -0.588   0.337  0.00  0.00    -0.013 C 
ATOM     25  C   LIG    1        5.033  -1.351  -0.935  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        4.984  -1.470   1.548  0.00  0.00    +0.015 C 
ENDBRANCH  17  24
ENDBRANCH   1  20
TORSDOF 2