REMARK  Name = BDB041293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.042  -0.633  -0.319  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        0.353  -1.075  -1.472  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.050  -0.985  -1.516  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.677  -1.397  -2.694  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -1.022  -1.897  -3.764  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        0.321  -2.012  -3.716  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.739  -0.478  -0.391  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.084  -0.045   0.705  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        0.978  -1.609  -2.606  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        0.265  -0.131   0.720  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.294  -0.734   0.099  0.00  0.00    +0.105 A 
ATOM     12  C   LIG    1        4.511  -1.702   0.734  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        3.122  -1.663   0.598  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.503  -0.670  -0.180  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        3.309   0.284  -0.825  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.699   0.248  -0.696  0.00  0.00    +0.029 A 
BRANCH  11  17
ATOM     17  S   LIG    1        7.071  -0.804   0.235  0.00  0.00    +0.060 S 
ATOM     18  O   LIG    1        7.419  -2.160   0.606  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        7.615  -0.192  -0.958  0.00  0.00    -0.153 OA
BRANCH  17  21
ATOM     20  C   LIG    1        7.193   1.657   1.363  0.00  0.00    +0.131 C 
ATOM     21  N   LIG    1        7.397   0.212   1.559  0.00  0.00    -0.183 NA
ATOM     22  C   LIG    1        6.974  -0.262   2.887  0.00  0.00    +0.131 C 
ENDBRANCH  17  21
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   7  23
ATOM     23  N   LIG    1       -3.146  -0.400  -0.414  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -3.522  -1.330  -0.586  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.744   0.162   0.795  0.00  0.00    +0.141 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.233   0.250   0.602  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.819   1.185  -0.246  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.198   2.270  -1.043  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.395   2.652  -1.914  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.613   2.237  -1.254  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.198   1.250  -0.399  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.054   0.399   0.270  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.490  -0.559   1.112  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.098  -0.628   1.267  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.595  -1.567   2.083  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   7  23
TORSDOF 6