REMARK  Name = BDB045741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        7.084  -0.565  -1.103  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        5.950  -0.544  -0.635  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        5.389   0.676  -0.002  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        4.079   0.660   0.519  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1        3.613   1.850   1.111  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        4.414   2.997   1.175  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        5.702   2.986   0.651  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.274  -0.578   0.423  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        3.846  -1.716  -0.181  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        3.146  -2.923  -0.298  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        1.843  -3.019   0.180  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        1.251  -1.900   0.765  0.00  0.00    +0.106 A 
ATOM     13  C   LIG    1        1.958  -0.697   0.901  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        6.192   1.825   0.062  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        5.150  -1.658  -0.682  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        5.570  -2.471  -1.115  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  17
ATOM     17  S   LIG    1       -0.409  -2.020   1.390  0.00  0.00    +0.058 S 
ATOM     18  O   LIG    1       -0.634  -0.910   2.288  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1       -0.628  -3.390   1.799  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1       -1.330  -1.789   0.015  0.00  0.00    -0.189 NA
ATOM     21  H   LIG    1       -1.643  -2.641  -0.443  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.212  -0.550  -0.762  0.00  0.00    +0.121 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.534  -0.218  -1.490  0.00  0.00    +0.101 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.526   0.508  -0.679  0.00  0.00    -0.301 NA
ATOM     25  C   LIG    1       -4.666   0.948  -1.483  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1       -5.506   1.968  -0.703  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -5.612   1.647   0.789  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -5.337   0.175   1.049  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -3.959  -0.243   0.512  0.00  0.00    +0.084 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  12  17
TORSDOF 5