REMARK  Name = BDB049533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.506   0.314  -0.428  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.326  -0.171  -1.445  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.670  -0.464  -1.186  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.210  -0.275   0.093  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        2.383   0.215   1.109  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.043   0.507   0.846  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.814   0.643  -0.545  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.464   0.334  -1.778  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.961   0.683  -1.703  0.00  0.00    +0.147 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.725  -0.304  -0.921  0.00  0.00    -0.312 N 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.944  -0.050   0.423  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1       -3.566   1.151   0.918  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -3.762   1.425   2.227  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1       -4.347   0.551   3.117  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.752  -0.677   2.626  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -4.550  -0.975   1.276  0.00  0.00    +0.043 A 
ENDBRANCH  10  11
BRANCH  10  18
ATOM     17  C   LIG    1       -5.618  -1.430  -2.006  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -4.155  -1.522  -1.597  0.00  0.00    +0.103 C 
ENDBRANCH  10  18
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        4.664  -0.582   0.362  0.00  0.00    +0.059 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.615   0.521  -0.108  0.00  0.00    +0.146 C 
ATOM     21  C   LIG    1        7.050   0.039  -0.064  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        7.452  -1.012  -0.546  0.00  0.00    -0.274 OA
ATOM     23  N   LIG    1        7.869   0.919   0.575  0.00  0.00    -0.246 N 
ATOM     24  H   LIG    1        8.846   0.710   0.704  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        7.310   1.951   1.247  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        7.906   2.724   1.977  0.00  0.00    -0.263 OA
ATOM     27  S   LIG    1        5.593   2.004   0.962  0.00  0.00    -0.054 S 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 8