REMARK  Name = BDB052101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.676   0.105  -1.627  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        3.303  -0.373  -0.367  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        1.997  -0.193   0.108  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.046   0.456  -0.678  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.413   0.913  -1.946  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.716   0.739  -2.420  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  10
ATOM      7  O   LIG    1        5.545   1.542   0.341  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1        6.422   1.150  -0.411  0.00  0.00    +0.275 C 
ATOM      9  C   LIG    1        6.180   0.332  -1.650  0.00  0.00    +0.079 C 
ATOM     10  C   LIG    1        5.022  -0.104  -2.167  0.00  0.00    +0.028 C 
ATOM     11  S   LIG    1        7.702   0.011  -2.410  0.00  0.00    -0.061 S 
ATOM     12  C   LIG    1        8.491   0.893  -1.147  0.00  0.00    +0.125 C 
ATOM     13  N   LIG    1        7.764   1.406  -0.219  0.00  0.00    -0.162 NA
BRANCH  12  14
ATOM     14  S   LIG    1       10.208   1.057  -1.163  0.00  0.00    -0.119 S 
ATOM     15  H   LIG    1       10.271   1.784  -0.040  0.00  0.00    +0.109 HD
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   4  16
ATOM     16  O   LIG    1       -0.258   0.691  -0.348  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.692   0.429   0.989  0.00  0.00    +0.230 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.198  -1.006   1.143  0.00  0.00    +0.056 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.429  -1.309   0.275  0.00  0.00    +0.087 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.618  -0.521   0.635  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -4.670  -0.652  -0.374  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -5.769   0.392  -0.136  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -6.077   0.620   1.345  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.612  -0.559   2.185  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -4.114  -0.831   1.987  0.00  0.00    +0.084 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 7