REMARK  Name = BDB056782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.742  -0.530   0.752  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.608  -1.005   0.082  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.568  -0.255   0.208  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.637   0.902   0.978  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.896   1.442   0.941  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        2.616   0.636   0.181  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.503   1.350   1.662  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        1.839  -0.397  -0.300  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        2.279  -1.458  -1.175  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.692   0.619   1.548  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -2.883  -1.298   0.639  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -7.581  -0.828   1.787  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -6.425  -0.421   0.914  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1       -6.574   0.530  -0.120  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.435   0.941  -0.848  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -5.514   2.017  -1.897  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -4.195   0.325  -0.612  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -4.066  -0.642   0.384  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -5.174  -1.022   1.133  0.00  0.00    +0.051 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -7.796   1.210  -0.280  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -8.606   0.674   0.009  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -7.925   1.611  -1.202  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        4.063   0.825  -0.145  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.740  -0.383   0.201  0.00  0.00    -0.484 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.091  -0.426  -0.007  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        6.875   0.596  -0.545  0.00  0.00    +0.064 A 
ATOM     27  C   LIG    1        8.255   0.410  -0.707  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        8.851  -0.798  -0.329  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        8.070  -1.818   0.209  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.696  -1.629   0.368  0.00  0.00    +0.046 A 
BRANCH  27  31
ATOM     31  C   LIG    1        9.058   1.460  -1.262  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1        9.702   2.311  -1.718  0.00  0.00    -0.191 NA
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7