REMARK  Name = BDB046566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.263  -0.349  -0.901  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.134  -0.145  -1.973  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.504  -0.376  -1.834  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        4.026  -0.821  -0.614  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        3.150  -1.027   0.458  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.778  -0.793   0.317  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.048  -0.081  -1.175  0.00  0.00    -0.484 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.985  -0.255  -0.114  0.00  0.00    +0.303 C 
BRANCH   8  17
ATOM      9  N   LIG    1       -3.499   0.042   0.155  0.00  0.00    -0.322 N 
ATOM     10  C   LIG    1       -4.566   0.438  -0.627  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -3.996   0.724  -1.865  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1       -4.806   1.164  -2.923  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -6.180   1.306  -2.711  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -6.737   1.016  -1.467  0.00  0.00    +0.002 A 
ATOM     15  N   LIG    1       -2.646   0.515  -1.845  0.00  0.00    -0.229 NA
ATOM     16  C   LIG    1       -5.944   0.576  -0.400  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.352   0.104  -0.625  0.00  0.00    +0.149 A 
BRANCH   9  19
ATOM     18  C   LIG    1       -4.005   0.758   2.483  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -3.551  -0.370   1.556  0.00  0.00    +0.083 C 
ATOM     20  C   LIG    1       -4.366  -1.648   1.760  0.00  0.00    +0.030 C 
ENDBRANCH   9  19
ENDBRANCH   8  17
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1        5.513  -1.050  -0.460  0.00  0.00    +0.059 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.260   0.238  -0.109  0.00  0.00    +0.146 C 
ATOM     23  C   LIG    1        6.382   0.455   1.390  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        5.494   0.287   2.215  0.00  0.00    -0.274 OA
ATOM     25  N   LIG    1        7.632   0.869   1.740  0.00  0.00    -0.246 N 
ATOM     26  H   LIG    1        7.861   1.002   2.713  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1        8.635   0.653   0.860  0.00  0.00    +0.279 C 
ATOM     28  O   LIG    1        9.825   0.727   1.112  0.00  0.00    -0.263 OA
ATOM     29  S   LIG    1        7.996   0.174  -0.689  0.00  0.00    -0.054 S 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6