REMARK  Name = BDB046609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.075  -2.080  -0.759  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.909  -1.711  -0.834  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.017  -1.759   0.334  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.704  -1.333   0.186  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.789  -1.410   1.244  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1       -1.468  -0.946   1.121  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -0.830  -1.391   1.779  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -0.956  -0.983  -0.260  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -1.881  -0.233  -1.249  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1       -3.260  -1.837   2.491  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -4.586  -2.254   2.653  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.293  -0.795  -1.121  0.00  0.00    +0.081 A 
ATOM     13  N   LIG    1       -4.081  -0.773  -2.157  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -5.466  -2.227   1.571  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.351  -1.247  -2.003  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -5.956  -1.189  -2.816  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -1.878   1.292  -1.178  0.00  0.00    -0.036 A 
ATOM     18  C   LIG    1       -2.354   1.995  -0.060  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.330   3.392  -0.030  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.832   4.107  -1.116  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.357   3.427  -2.233  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.380   2.031  -2.265  0.00  0.00    +0.004 A 
ENDBRANCH   9  17
BRANCH   8  23
ATOM     23  C   LIG    1        0.496  -0.532  -0.311  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        0.977   0.516   0.487  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.311   0.920   0.410  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.199   0.291  -0.472  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        2.724  -0.754  -1.274  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        1.387  -1.158  -1.197  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        4.643   0.738  -0.553  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.378   0.456   0.685  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1        5.762  -0.978   0.767  0.00  0.00    +0.086 C 
ATOM     32  C   LIG    1        7.133  -0.507   1.289  0.00  0.00    +0.031 C 
ATOM     33  C   LIG    1        6.816   0.792   0.523  0.00  0.00    +0.086 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   8  23
TORSDOF 4