REMARK  Name = BDB024741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.271   1.320   0.784  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.472   0.260   0.318  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.109  -1.048   0.055  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.160  -1.900   1.329  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.462  -1.774  -1.119  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.991  -2.002  -0.858  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.313  -0.736  -0.415  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.908  -0.632  -0.545  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.027  -1.556  -1.049  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.166  -1.007  -0.987  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -1.094   0.250  -0.411  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.234   0.512  -0.139  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.913   1.595   0.412  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.306   1.484   0.550  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.033   0.349   0.152  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.918   2.478   0.975  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.232   1.120  -0.114  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1       -2.374   1.376   1.383  0.00  0.00    +0.191 C 
ATOM     19  S   LIG    1       -3.912   2.201   1.708  0.00  0.00    -0.029 S 
ATOM     20  O   LIG    1       -3.883   2.671   3.077  0.00  0.00    -0.174 OA
ATOM     21  O   LIG    1       -4.978   1.339   1.234  0.00  0.00    -0.174 OA
ATOM     22  C   LIG    1       -3.808   3.618   0.633  0.00  0.00    +0.166 C 
ATOM     23  C   LIG    1       -3.514   3.215  -0.804  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.213   2.418  -0.942  0.00  0.00    +0.028 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        7.426   1.969   1.486  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.564   0.931   1.014  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.417  -1.670  -1.474  0.00  0.00    +0.097 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.115  -2.426  -0.351  0.00  0.00    +0.151 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.461  -2.815  -0.729  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1       -4.647  -3.805  -1.621  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1       -5.976  -3.883  -1.732  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -6.636  -2.938  -0.927  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -5.626  -2.255  -0.290  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5