REMARK  Name = BDB046926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.679  -1.233   0.869  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -3.756  -0.416   0.594  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1       -4.912  -1.170   0.704  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1       -4.592  -2.457   1.049  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -3.266  -2.478   1.143  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -6.296  -0.805   0.517  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -6.693   0.490   0.153  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -8.078   0.686   0.010  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -8.560   2.026  -0.373  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1       -7.595   2.976  -0.559  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1       -7.915   3.897  -0.822  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -6.270   2.711  -0.403  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1       -9.751   2.276  -0.515  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -9.007  -0.333   0.214  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -8.519  -1.565   0.567  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -5.799   1.561  -0.069  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1       -7.207  -1.815   0.719  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.230  -0.879   0.877  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.574  -1.098  -0.500  0.00  0.00    +0.089 C 
BRANCH  19  23
ATOM     20  C   LIG    1        3.611  -0.355  -0.652  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1        2.656   0.854  -0.714  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1        1.248   0.529  -0.200  0.00  0.00    +0.085 C 
ATOM     23  N   LIG    1        0.867  -0.823  -0.594  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        1.698  -1.860   0.029  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        3.116  -1.385   0.372  0.00  0.00    +0.023 C 
BRANCH  20  29
ATOM     26  C   LIG    1        7.733   0.859  -0.030  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        6.800   0.985   1.000  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        5.471   0.597   0.812  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.049   0.070  -0.416  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        5.991  -0.049  -1.447  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        7.323   0.340  -1.257  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.985   1.159  -0.729  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.997   1.275   0.287  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  20  29
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6