REMARK  Name = BDB037116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.444  -2.041   1.394  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.729  -1.475   0.883  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.762  -0.522   0.542  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.511  -3.159   1.876  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.944   0.634   0.329  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -3.928   0.473   1.321  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -3.771  -0.529   2.293  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.640  -1.344   2.298  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.647  -1.166   1.330  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.808  -0.184   0.340  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -2.264   1.752  -1.674  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -3.187   1.612  -0.600  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.177   1.326   1.345  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.304   0.634   0.734  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -7.212   0.002   1.510  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -8.088  -0.491   0.631  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.761  -0.164  -0.697  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.605   0.573  -0.599  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        2.156  -2.319   0.718  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.614  -2.695   2.039  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.019  -3.276  -0.358  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.277  -1.068   0.127  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        2.909  -0.212  -0.928  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        3.779   0.793  -1.364  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1        5.023   0.890  -0.763  0.00  0.00    -0.041 A 
ATOM     26  C   LIG    1        6.103   1.891  -1.036  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1        7.311   1.215  -0.371  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        6.761   0.370   0.787  0.00  0.00    +0.036 C 
ATOM     29  C   LIG    1        5.396   0.029   0.275  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        4.533  -0.950   0.739  0.00  0.00    +0.036 A 
BRANCH  23  31
ATOM     31  O   LIG    1        1.655  -0.281  -1.480  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        1.720  -0.875  -2.782  0.00  0.00    +0.277 C 
ENDBRANCH  23  31
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7