REMARK  Name = BDB055741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.191   2.326   2.441  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.353   1.700   1.806  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.655   1.085   0.483  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.616   0.546  -0.299  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -3.939  -0.200  -1.443  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.840  -0.908  -2.187  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1       -1.665  -1.202  -1.243  0.00  0.00    +0.090 C 
ATOM      8  N   LIG    1       -1.163   0.054  -0.681  0.00  0.00    -0.285 NA
ATOM      9  C   LIG    1       -5.272  -0.293  -1.862  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.289   0.307  -1.118  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.168   0.779   0.126  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.131   0.610   1.665  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1       -5.985   0.981   0.064  0.00  0.00    +0.013 A 
ATOM     14  N   LIG    1       -3.087   1.497   2.304  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -2.947   1.813   3.256  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1        0.159  -0.069  -0.049  0.00  0.00    +0.181 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.294  -0.344  -1.061  0.00  0.00    +0.230 C 
ATOM     18  N   LIG    1        2.544  -0.570  -0.510  0.00  0.00    -0.300 N 
ATOM     19  C   LIG    1        2.906  -0.530   0.899  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        4.358  -1.010   0.950  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1        4.899  -0.654  -0.430  0.00  0.00    +0.026 C 
ATOM     22  C   LIG    1        5.409   0.764  -0.229  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1        6.004   0.743   1.114  0.00  0.00    -0.315 NA
ATOM     24  H   LIG    1        6.969   0.414   1.038  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        5.239  -0.229   1.913  0.00  0.00    +0.086 C 
ATOM     26  C   LIG    1        3.706  -0.772  -1.360  0.00  0.00    +0.113 C 
ATOM     27  O   LIG    1        1.131  -0.358  -2.282  0.00  0.00    -0.274 OA
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 2