REMARK  Name = BDB037222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.555   1.101   0.358  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.280   0.570   1.625  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1       -0.921  -0.130   1.995  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.211   1.805  -0.280  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.816  -0.550   0.163  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -4.361  -0.115  -1.043  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.608   0.786  -1.810  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.356   1.198  -1.367  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.899   0.696  -0.157  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -2.602  -0.176   0.620  0.00  0.00    -0.208 NA
BRANCH   5  12
ATOM     11  C   LIG    1       -3.974  -1.774   2.163  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1       -4.572  -1.425   0.917  0.00  0.00    -0.479 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.727  -0.547  -1.500  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.738   0.431  -1.127  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -7.065   1.423  -1.983  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -8.009   2.105  -1.329  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -8.297   1.550  -0.069  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -7.463   0.462   0.032  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        1.158   0.687   2.430  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        1.077  -0.217   3.559  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.445   2.091   2.638  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.341   0.025   1.305  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1        2.177  -1.239   0.780  0.00  0.00    +0.150 A 
ATOM     24  O   LIG    1        1.122  -2.086   1.007  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1        1.579  -3.354   0.483  0.00  0.00    +0.234 C 
ATOM     26  C   LIG    1        2.658  -3.093  -0.565  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        3.108  -1.761  -0.102  0.00  0.00    -0.000 A 
ATOM     28  C   LIG    1        4.225  -1.033  -0.485  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        4.433   0.263   0.035  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1        3.468   0.776   0.935  0.00  0.00    +0.036 A 
BRANCH  29  31
ATOM     31  C   LIG    1        5.672   1.073  -0.394  0.00  0.00    -0.013 C 
ATOM     32  C   LIG    1        5.772   2.465   0.270  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1        6.953   0.297  -0.019  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1        5.640   1.295  -1.921  0.00  0.00    +0.015 C 
ENDBRANCH  29  31
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7