REMARK  Name = BDB001170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.772  -1.115  -0.735  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.584  -1.584  -0.158  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.564  -1.702  -0.946  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        0.538  -1.379  -2.306  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.648  -0.929  -2.883  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.802  -0.800  -2.103  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.066  -1.740   1.109  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.979  -0.997   0.139  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -3.887  -0.024  -0.232  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.625   0.585  -1.008  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -5.096   0.343   0.414  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -5.905   1.352  -0.156  0.00  0.00    +0.080 A 
ATOM     13  C   LIG    1       -7.065   1.798   0.502  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -7.459   1.207   1.699  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.695   0.179   2.243  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.522  -0.247   1.609  0.00  0.00    +0.024 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -5.529   1.954  -1.462  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1       -4.368   2.105  -1.809  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -6.578   2.237  -2.261  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -7.435   1.876  -1.964  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  S   LIG    1        2.083  -2.281  -0.234  0.00  0.00    +0.061 S 
ATOM     22  O   LIG    1        1.885  -2.484   1.185  0.00  0.00    -0.153 OA
ATOM     23  O   LIG    1        2.572  -3.342  -1.089  0.00  0.00    -0.153 OA
BRANCH  21  24
ATOM     24  N   LIG    1        3.107  -0.939  -0.412  0.00  0.00    -0.172 NA
ATOM     25  C   LIG    1        4.552  -1.301  -0.419  0.00  0.00    +0.144 C 
ATOM     26  C   LIG    1        5.498  -0.217   0.044  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1        5.080   0.675   1.044  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        5.970   1.622   1.559  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.272   1.692   1.066  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.692   0.811   0.069  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.665   0.556   1.537  0.00  0.00    +0.052 C 
ATOM     32  C   LIG    1        6.811  -0.147  -0.435  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        2.743   0.290   0.349  0.00  0.00    +0.114 C 
ENDBRANCH  21  24
ENDBRANCH   3  21
TORSDOF 6