REMARK  Name = BDB056486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.155  -0.194   0.905  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.089  -1.271   2.652  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1       -0.117  -0.559   1.649  0.00  0.00    +0.216 C 
ATOM      4  N   LIG    1       -1.300  -0.031   1.153  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -2.564  -0.376   1.810  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -3.721  -0.522   0.813  0.00  0.00    +0.126 C 
ATOM      7  N   LIG    1       -3.862   0.634  -0.079  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1       -4.972   0.865  -0.878  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.083   1.835  -1.618  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.740   1.571  -0.133  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1       -1.386   0.860  -0.013  0.00  0.00    +0.126 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -6.065  -0.147  -0.821  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1       -7.126  -0.057   0.253  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -7.484   0.245  -1.169  0.00  0.00    +0.013 C 
ENDBRANCH   8  12
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1        2.352  -0.996   1.406  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.606  -0.497   0.737  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        4.310   0.458   1.419  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        4.020   0.767   2.336  0.00  0.00    +0.170 HD
ATOM     19  C   LIG    1        5.462   1.028   0.939  0.00  0.00    +0.259 A 
ATOM     20  O   LIG    1        6.081   1.874   1.572  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        5.900   0.556  -0.385  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        5.114  -0.414  -1.013  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1        5.508  -0.879  -2.269  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        6.664  -0.384  -2.881  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        7.438   0.585  -2.240  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        7.058   1.059  -0.986  0.00  0.00    +0.015 A 
ATOM     27  N   LIG    1        3.945  -0.935  -0.431  0.00  0.00    -0.234 NA
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4