REMARK  Name = BDB037096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.058  -0.195  -1.339  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.425   1.152  -1.329  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.117   1.812  -0.774  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.771  -1.072  -1.804  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.089   0.374  -0.027  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1        1.278  -0.528  -0.745  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        1.728  -1.847  -0.945  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.961  -2.273  -0.449  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        3.773  -1.387   0.262  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1        3.324  -0.070   0.471  0.00  0.00    +0.051 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.460   2.582   0.836  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.618   1.649   0.163  0.00  0.00    -0.494 OA
ENDBRANCH   5  12
BRANCH   9  13
ATOM     13  C   LIG    1        5.108  -1.836   0.809  0.00  0.00    +0.178 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.214  -1.125   0.181  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.772  -0.061   0.798  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.742   0.316  -0.040  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.812  -0.502  -1.182  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.813  -1.430  -1.010  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  S   LIG    1       -1.892   1.753  -1.809  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.930   3.143  -1.397  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.096   1.407  -3.200  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.065   0.872  -0.817  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.020   0.971   0.585  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -3.935   0.261   1.372  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -4.906  -0.494   0.734  0.00  0.00    -0.041 A 
ATOM     26  C   LIG    1       -5.957  -1.359   1.356  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1       -6.910  -1.570   0.171  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -6.054  -1.497  -1.101  0.00  0.00    +0.036 C 
ATOM     29  C   LIG    1       -4.960  -0.575  -0.662  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -4.042   0.095  -1.453  0.00  0.00    +0.036 A 
BRANCH  23  31
ATOM     31  O   LIG    1       -2.024   1.686   1.198  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -2.554   2.836   1.863  0.00  0.00    +0.277 C 
ENDBRANCH  23  31
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7