REMARK  Name = BDB039258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.917  -0.236   0.561  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.793   0.483   0.192  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.498  -0.144   0.426  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.334   0.548  -0.237  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.494   1.753  -0.961  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.398   2.371  -1.582  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.109   1.840  -1.489  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.039   0.659  -0.756  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.126  -0.130  -0.457  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -0.690  -1.178   0.316  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        0.606  -1.115   0.516  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.872   2.349  -1.119  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.031   0.018  -0.139  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.804   1.929   0.014  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.892  -1.405   0.926  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.565  -2.329   0.896  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -1.429  -3.661   0.116  0.00  0.00    +0.178 C 
ATOM     18  S   LIG    1       -1.678  -4.528   1.639  0.00  0.00    -0.030 S 
ATOM     19  O   LIG    1       -3.087  -4.630   1.959  0.00  0.00    -0.174 OA
ATOM     20  O   LIG    1       -0.750  -5.625   1.796  0.00  0.00    -0.174 OA
ATOM     21  C   LIG    1       -0.999  -2.987   2.184  0.00  0.00    +0.178 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.242  -0.215   0.839  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.061   0.498   0.474  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.490   0.103  -0.895  0.00  0.00    +0.128 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.264   0.971   0.095  0.00  0.00    +0.057 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.695   1.152  -0.343  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1       -5.682   0.244   0.064  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.001   0.397  -0.365  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.344   1.454  -1.205  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.370   2.360  -1.618  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.049   2.210  -1.191  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 5