REMARK  Name = BDB037111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.609   0.226  -1.606  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -1.893   0.764  -1.475  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -2.200   1.180  -0.601  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.302  -0.597  -2.453  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.415   0.247   0.641  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        2.262   1.433   1.370  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        1.163   2.260   1.083  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        0.230   1.895   0.107  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.380   0.693  -0.595  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.478  -0.131  -0.324  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.371  -0.707  -0.142  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.456  -0.587   0.950  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        3.276   1.849   2.410  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.313   2.699   1.838  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.495   2.172   1.452  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.188   3.227   1.018  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.469   4.429   1.141  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        4.262   4.059   1.686  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -3.180   0.370  -2.451  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -2.828   0.733  -3.807  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -4.354   0.950  -1.830  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.350  -1.401  -2.349  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1       -3.360  -2.092  -1.118  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.515  -3.493  -1.161  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -3.651  -4.179  -2.370  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.631  -3.481  -3.571  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.481  -2.096  -3.564  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.190  -1.460   0.199  0.00  0.00    -0.016 A 
ATOM     29  C   LIG    1       -4.204  -0.682   0.776  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -4.016  -0.067   2.016  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -2.817  -0.233   2.705  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.808  -1.022   2.160  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -1.997  -1.637   0.921  0.00  0.00    +0.008 A 
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7