REMARK  Name = BDB045799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.915   1.807  -2.370  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        0.596   2.318  -2.416  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.290   3.286  -3.379  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.272   3.767  -4.252  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        2.578   3.295  -4.173  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.902   2.319  -3.233  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.189  -0.210  -1.885  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        3.417  -0.145  -2.868  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.274   0.715  -1.410  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.696   0.675  -0.328  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.815  -2.082  -3.391  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        4.547  -2.230  -1.916  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1        3.747  -1.314  -1.194  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        3.550  -1.516   0.179  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        4.123  -2.616   0.834  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        4.904  -3.522   0.115  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        5.116  -3.328  -1.248  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        3.933  -2.858   2.285  0.00  0.00    +0.337 C 
ATOM     19  O   LIG    1        4.399  -3.791   2.915  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        3.173  -1.925   2.881  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        3.136  -2.206   3.819  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1       -0.362   1.842  -1.485  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        0.036   1.260  -0.747  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -1.700   2.167  -1.383  0.00  0.00    +0.248 C 
ATOM     25  O   LIG    1       -2.317   2.939  -2.108  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.435   1.509  -0.259  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -3.551   2.159   0.273  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.273   1.583   1.324  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.909   0.338   1.872  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -2.794  -0.308   1.313  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.067   0.264   0.259  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -4.726  -0.264   3.030  0.00  0.00    -0.013 C 
ATOM     33  C   LIG    1       -4.196  -1.629   3.525  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -6.186  -0.478   2.577  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -4.703   0.699   4.237  0.00  0.00    +0.015 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 7