REMARK  Name = BDB037256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181  -1.313   0.544  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1       -1.317  -0.803  -0.016  0.00  0.00    -0.221 N 
ATOM      3  H   LIG    1       -1.287  -0.277  -0.872  0.00  0.00    +0.166 HD
ATOM      4  O   LIG    1       -0.158  -2.162   1.428  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.468  -1.102  -0.375  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.575   0.170  -0.955  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.428   0.979  -1.015  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.201   0.517  -0.527  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.102  -0.769   0.018  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.241  -1.576   0.095  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.975  -2.202   0.993  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        4.577  -1.906  -0.347  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.900   0.688  -1.463  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.549   1.551  -0.484  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.369   1.030   0.455  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.789   2.096   1.139  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.261   3.299   0.636  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.470   2.917  -0.421  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.797  -1.573   0.218  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.675  -2.737  -0.632  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -3.007  -1.531   1.736  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -2.200  -1.990   2.178  0.00  0.00    +0.199 HD
BRANCH  19  23
ATOM     23  C   LIG    1       -4.094  -0.575  -0.466  0.00  0.00    +0.149 A 
ATOM     24  C   LIG    1       -5.357  -1.155  -0.670  0.00  0.00    +0.160 A 
ATOM     25  C   LIG    1       -6.372  -0.407  -1.283  0.00  0.00    +0.084 A 
ATOM     26 CL   LIG    1       -7.922  -1.085  -1.633  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -6.144   0.920  -1.652  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -4.903   1.506  -1.413  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -3.884   0.766  -0.804  0.00  0.00    +0.142 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -5.579  -2.467  -0.340  0.00  0.00    -0.492 OA
ATOM     31  C   LIG    1       -6.187  -2.585   0.950  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  29  32
ATOM     32  O   LIG    1       -2.674   1.382  -0.617  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1       -2.731   2.245   0.526  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 8