REMARK  Name = BDB012297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.659   1.403   0.324  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.578   1.024   0.844  0.00  0.00    -0.214 N 
ATOM      3  N   LIG    1        1.100   2.008   1.639  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.202   2.995   1.614  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        0.445   4.242   2.378  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1       -0.906   2.671   0.814  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.063  -1.681  -3.168  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.194  -0.862  -2.261  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -3.301  -0.991  -0.871  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.469  -0.253  -0.025  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.507   0.610  -0.558  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.393   0.736  -1.946  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.225  -0.002  -2.792  0.00  0.00    +0.004 A 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1        1.302  -0.201   0.645  0.00  0.00    +0.155 A 
ATOM     15  N   LIG    1        0.772  -1.168  -0.148  0.00  0.00    -0.236 NA
ATOM     16  C   LIG    1        1.469  -2.309  -0.321  0.00  0.00    +0.114 A 
ATOM     17  C   LIG    1        2.695  -2.551   0.264  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.234  -1.555   1.076  0.00  0.00    +0.064 A 
ATOM     19  C   LIG    1        2.534  -0.363   1.274  0.00  0.00    +0.063 A 
BRANCH  18  20
ATOM     20  C   LIG    1        4.544  -1.721   1.747  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        5.086  -0.907   2.470  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.117  -2.908   1.480  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        5.960  -2.877   1.981  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   2  14
TORSDOF 4