REMARK  Name = BDB000191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.817  -0.057   0.237  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        1.331   0.963  -1.032  0.00  0.00    -0.056 S 
ATOM      3  C   LIG    1       -0.277   0.953  -0.432  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.339   0.161   0.706  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        0.876  -0.408   1.080  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        4.183  -0.268  -0.436  0.00  0.00    +0.235 C 
ATOM      7  N   LIG    1        3.105  -0.484   0.395  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1        3.263  -1.109   1.178  0.00  0.00    +0.157 HD
ATOM      9  O   LIG    1        4.200   0.371  -1.482  0.00  0.00    -0.274 OA
BRANCH   6  11
ATOM     10  C   LIG    1        6.515  -1.162  -0.919  0.00  0.00    +0.033 C 
ATOM     11  C   LIG    1        5.466  -0.903   0.155  0.00  0.00    +0.135 C 
BRANCH  11  12
ATOM     12  N   LIG    1        5.129  -2.158   0.871  0.00  0.00    -0.320 NA
ATOM     13  H   LIG    1        4.857  -2.861   0.178  0.00  0.00    +0.119 HD
ATOM     14  H   LIG    1        5.984  -2.526   1.293  0.00  0.00    +0.119 HD
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1       -1.358   1.714  -1.140  0.00  0.00    +0.079 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.875   2.894  -0.345  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1       -1.068   4.021  -0.133  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -1.545   5.106   0.604  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.834   5.078   1.133  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.647   3.966   0.926  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.172   2.879   0.190  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
BRANCH   4  22
ATOM     22  C   LIG    1       -1.544  -0.126   1.554  0.00  0.00    +0.285 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.700  -0.522   0.802  0.00  0.00    -0.486 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.791  -1.821   0.386  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -1.813  -2.806   0.522  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1       -2.043  -4.098   0.038  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.250  -4.411  -0.585  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.229  -3.431  -0.728  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.997  -2.142  -0.245  0.00  0.00    +0.045 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8