REMARK  Name = BDB016177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -1.525  -0.288  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.591  -0.646  -0.097  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -1.325   0.738  -0.066  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.452   0.944  -0.549  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.385   1.679  -0.388  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.319   1.772   0.798  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.374   0.720   0.709  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.068  -0.571   0.429  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.897  -1.149   0.493  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.555   0.999   0.942  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -1.745   3.044  -0.660  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.858  -1.234   0.135  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.992  -2.638   0.075  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.903  -3.473  -0.155  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.646  -2.918  -0.323  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        1.418  -1.047  -1.886  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        0.911  -1.026  -0.472  0.00  0.00    -0.041 C 
ATOM     18  C   LIG    1        1.575  -0.589   0.615  0.00  0.00    +0.012 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.942  -0.063   0.621  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        4.034  -0.877   0.299  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        5.330  -0.359   0.326  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.542   0.973   0.679  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.460   1.787   1.010  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.163   1.270   0.985  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   1  17
TORSDOF 2