REMARK  Name = BDB056775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.323  -0.019  -0.311  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.981  -0.974   0.467  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.349  -1.206   0.308  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        4.083  -0.480  -0.634  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        3.422   0.483  -1.408  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.051   0.712  -1.249  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.014   0.102  -0.054  0.00  0.00    -0.484 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.751   1.004  -0.879  0.00  0.00    +0.303 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -6.485  -0.062   0.701  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -5.322  -0.725   0.284  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1       -4.184   0.049   0.020  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1       -4.177   1.431   0.162  0.00  0.00    +0.090 A 
ATOM     13  N   LIG    1       -2.949   1.953  -0.150  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1       -2.187   0.921  -0.466  0.00  0.00    +0.148 A 
ATOM     15  C   LIG    1       -5.345   2.087   0.577  0.00  0.00    +0.033 A 
ATOM     16  N   LIG    1       -2.909  -0.254  -0.396  0.00  0.00    -0.328 N 
ATOM     17  C   LIG    1       -2.414  -1.577  -0.694  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -6.495   1.328   0.844  0.00  0.00    +0.048 A 
BRANCH   9  20
ATOM     19  C   LIG    1       -8.757  -0.291   1.377  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -7.548  -0.896   0.936  0.00  0.00    -0.495 OA
ENDBRANCH   9  20
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1        5.571  -0.704  -0.802  0.00  0.00    +0.059 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.396   0.249   0.065  0.00  0.00    +0.146 C 
ATOM     23  C   LIG    1        6.758  -0.353   1.412  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.007  -0.988   2.139  0.00  0.00    -0.274 OA
ATOM     25  N   LIG    1        8.057  -0.108   1.742  0.00  0.00    -0.246 N 
ATOM     26  H   LIG    1        8.440  -0.496   2.590  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1        8.904   0.240   0.746  0.00  0.00    +0.279 C 
ATOM     28  O   LIG    1       10.120   0.246   0.820  0.00  0.00    -0.263 OA
ATOM     29  S   LIG    1        8.016   0.614  -0.706  0.00  0.00    -0.054 S 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6