REMARK  Name = BDB037208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.392  -0.357  -2.556  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.945   0.403  -2.949  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.895  -1.075  -1.455  0.00  0.00    +0.300 C 
ATOM      4  O   LIG    1        0.273  -1.951  -0.878  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.272  -0.626  -1.037  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        2.835  -1.229   0.020  0.00  0.00    -0.188 NA
ATOM      7  C   LIG    1        4.053  -0.788   0.369  0.00  0.00    +0.223 A 
ATOM      8  C   LIG    1        4.720   0.235  -0.281  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        4.040   0.783  -1.353  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        2.817   0.381  -1.751  0.00  0.00    -0.231 NA
BRANCH   7  11
ATOM     11  O   LIG    1        4.697  -1.383   1.436  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.947  -2.432   2.047  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        6.083   0.712   0.122  0.00  0.00    +0.185 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.072   2.135   0.439  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.349   3.043  -0.518  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.230   4.213   0.116  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.868   4.057   1.465  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.774   2.697   1.646  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.079  -0.607  -3.279  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.075  -1.968  -3.762  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.252   0.511  -4.187  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.220  -1.304  -1.657  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -2.232  -0.375  -1.956  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -2.112   0.781  -1.173  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -2.963   0.990  -0.081  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -3.963   0.062   0.249  0.00  0.00    -0.038 A 
ATOM     27  C   LIG    1       -4.084  -1.076  -0.575  0.00  0.00    +0.051 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -4.910   0.250   1.447  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1       -4.785  -0.953   2.405  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -4.624   1.521   2.275  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -6.367   0.346   0.948  0.00  0.00    +0.015 C 
ENDBRANCH  26  28
BRANCH  22  33
ATOM     32  C   LIG    1       -2.990  -3.590  -1.816  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -3.448  -2.395  -2.448  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8