REMARK  Name = BDB037142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.690   1.958  -1.298  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.576   1.366  -1.202  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.761   0.583  -0.586  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.954   2.890  -2.039  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.515   0.069   1.466  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.853   0.264   1.099  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        4.126   1.011  -0.057  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        3.085   1.554  -0.815  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.749   1.362  -0.435  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.469   0.624   0.720  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        1.576  -1.840   2.374  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        2.240  -0.600   2.629  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.984  -0.339   1.898  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.331  -1.669   1.413  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        4.865  -2.772   2.040  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.401  -3.781   1.349  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.216  -3.337   0.293  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.162  -1.966   0.365  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.900   1.893  -2.081  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.341   3.157  -1.533  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.547   1.718  -3.474  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.161   0.707  -1.673  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1       -3.233   0.142  -0.393  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1       -4.126  -0.903  -0.132  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -5.011  -1.331  -1.118  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -4.998  -0.721  -2.370  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.064   0.282  -2.658  0.00  0.00    +0.150 A 
BRANCH  27  28
ATOM     28  O   LIG    1       -4.136   0.921  -3.865  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.800   0.057  -4.952  0.00  0.00    +0.277 C 
ENDBRANCH  27  28
BRANCH  23  30
ATOM     30  O   LIG    1       -2.407   0.527   0.635  0.00  0.00    -0.487 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -2.992   1.603   1.410  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1       -1.849   2.487   1.905  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -3.749   1.037   2.611  0.00  0.00    +0.051 C 
ENDBRANCH  30  31
ENDBRANCH  23  30
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 9