REMARK  Name = BDB044310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.704  -1.407   2.283  0.00  0.00    +0.269 C 
ATOM      2  N   LIG    1        0.294  -1.414   1.323  0.00  0.00    -0.278 N 
ATOM      3  H   LIG    1        0.031  -1.573   0.361  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.515  -1.347   3.495  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.291   0.938  -2.356  0.00  0.00    +0.011 C 
ATOM      6  C   LIG    1       -4.509   0.693  -1.052  0.00  0.00    -0.029 C 
ATOM      7  C   LIG    1       -4.919  -0.697  -0.474  0.00  0.00    +0.061 C 
ATOM      8  C   LIG    1       -3.894  -1.178   0.487  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -2.606  -0.716   0.634  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -2.054  -1.492   1.695  0.00  0.00    +0.151 A 
ATOM     11  N   LIG    1       -2.960  -2.384   2.144  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -2.072   0.426  -0.155  0.00  0.00    +0.040 C 
ATOM     13  N   LIG    1       -4.060  -2.162   1.409  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -4.886  -2.721   1.599  0.00  0.00    +0.189 HD
ATOM     15  C   LIG    1       -2.979   0.731  -1.368  0.00  0.00    +0.011 C 
ATOM     16  C   LIG    1       -4.877   1.813  -0.057  0.00  0.00    +0.011 C 
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1        1.641  -1.295   1.598  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.624  -1.346   0.638  0.00  0.00    +0.132 A 
ATOM     19  N   LIG    1        3.810  -1.167   1.298  0.00  0.00    -0.265 N 
ATOM     20  N   LIG    1        3.662  -1.024   2.631  0.00  0.00    -0.177 NA
ATOM     21  C   LIG    1        2.338  -1.100   2.810  0.00  0.00    +0.157 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.144  -1.167   0.710  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.375   0.042  -0.163  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        5.586  -0.103  -1.543  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.804   1.018  -2.346  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.814   2.292  -1.781  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.609   2.448  -0.411  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.392   1.330   0.394  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4