REMARK  Name = BDB050881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.533  -0.735   1.052  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.019  -0.048   2.194  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -0.625  -0.638   2.629  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.467  -1.895   1.497  0.00  0.00    +0.167 C 
BRANCH   4   5
ATOM      5  O   LIG    1        0.735  -2.967   2.114  0.00  0.00    -0.388 OA
ATOM      6  H   LIG    1        0.120  -2.562   2.759  0.00  0.00    +0.210 HD
ENDBRANCH   4   5
BRANCH   4   7
ATOM      7  C   LIG    1        2.297  -2.537   0.394  0.00  0.00    +0.218 C 
BRANCH   7   8
ATOM      8  S   LIG    1        3.492  -1.456  -0.358  0.00  0.00    +0.032 S 
ATOM      9  O   LIG    1        4.435  -2.278  -1.082  0.00  0.00    -0.158 OA
ATOM     10  O   LIG    1        3.917  -0.469   0.604  0.00  0.00    -0.158 OA
BRANCH   8  11
ATOM     11  N   LIG    1        2.573  -0.705  -1.561  0.00  0.00    -0.194 NA
ATOM     12  H   LIG    1        2.702  -1.216  -2.442  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.697   0.762  -1.728  0.00  0.00    +0.105 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.744   1.144  -2.772  0.00  0.00    +0.017 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.560   2.052  -1.225  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        5.203   1.061  -2.320  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.586  -1.075   0.016  0.00  0.00    +0.104 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.657  -2.016   0.360  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.111  -2.457  -0.428  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -2.123  -2.341   1.607  0.00  0.00    +0.210 C 
ATOM     21  O   LIG    1       -1.636  -1.927   2.655  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -3.286  -3.293   1.617  0.00  0.00    +0.109 C 
ENDBRANCH  17  18
BRANCH  17  23
ATOM     23  C   LIG    1       -1.135   0.197  -0.686  0.00  0.00    +0.028 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.523   0.753  -0.313  0.00  0.00    -0.009 C 
ATOM     25  C   LIG    1       -2.665   1.184   1.151  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -3.929   2.006   1.438  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -4.906   2.034   0.273  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.237   2.531  -0.997  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -2.838   1.958  -1.219  0.00  0.00    +0.003 C 
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 13