REMARK  Name = BDB037284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.401  -3.070  -0.286  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.630  -2.106  -0.469  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.172  -1.982   0.796  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.186  -1.096   1.141  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.724  -0.291   0.116  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.249  -0.429  -1.213  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        2.849   0.380  -2.341  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1        2.445  -0.141  -3.712  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        0.968  -0.466  -3.692  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        0.703  -1.515  -2.766  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        0.569  -2.855   1.642  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.183  -1.323  -1.500  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1       -0.387  -3.574   0.954  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.366  -3.549  -1.174  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.892  -4.316  -0.754  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.504  -2.519  -1.888  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -3.774  -3.217  -1.843  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.989  -2.075  -3.167  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1       -2.716   1.162   0.817  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -3.100  -0.095   1.314  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -3.063  -1.237   0.504  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -2.627  -1.101  -0.820  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.259   0.151  -1.332  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -2.296   1.276  -0.512  0.00  0.00    +0.006 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -1.368   2.584   2.377  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -2.722   2.372   1.717  0.00  0.00    +0.032 C 
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -3.414  -2.489   0.926  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -3.659  -2.679   2.314  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  22
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  C   LIG    1        3.803   0.699   0.515  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1        3.243   1.843   1.225  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        3.209   1.850   2.575  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        2.681   3.040   2.872  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        2.392   3.800   1.725  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        2.771   3.001   0.672  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7