REMARK  Name = BDB000194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.533   0.194  -1.524  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1       -3.119  -1.273  -2.285  0.00  0.00    -0.056 S 
ATOM      3  C   LIG    1       -1.609  -1.264  -1.464  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.527  -0.133  -0.660  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -2.656   0.680  -0.689  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -5.361   1.815  -1.461  0.00  0.00    +0.235 C 
ATOM      7  N   LIG    1       -4.768   0.657  -1.864  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1       -5.323   0.076  -2.473  0.00  0.00    +0.157 HD
ATOM      9  O   LIG    1       -6.527   2.010  -1.827  0.00  0.00    -0.274 OA
BRANCH   6  11
ATOM     10  C   LIG    1       -5.565   3.822   0.063  0.00  0.00    +0.033 C 
ATOM     11  C   LIG    1       -4.593   2.877  -0.645  0.00  0.00    +0.135 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -3.745   3.662  -1.565  0.00  0.00    -0.320 NA
ATOM     13  H   LIG    1       -3.238   4.365  -1.032  0.00  0.00    +0.119 HD
ATOM     14  H   LIG    1       -4.346   4.172  -2.213  0.00  0.00    +0.119 HD
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1       -0.610  -2.362  -1.685  0.00  0.00    +0.079 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.328  -3.177  -0.441  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1        0.947  -3.165   0.143  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.208  -3.908   1.294  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        0.200  -4.678   1.871  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.069  -4.706   1.296  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.332  -3.962   0.145  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
BRANCH   4  22
ATOM     22  C   LIG    1       -0.384   0.266   0.228  0.00  0.00    +0.285 C 
BRANCH  22  23
ATOM     23  O   LIG    1        0.845   0.307  -0.503  0.00  0.00    -0.486 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.989   0.535   0.210  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1        3.164   0.488  -0.546  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        4.422   0.688   0.046  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1        4.497   0.945   1.433  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        5.753   1.144   2.028  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.920   1.090   1.265  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.846   0.837  -0.102  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.312   0.997   2.183  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        5.605   0.638  -0.708  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1        2.067   0.795   1.577  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8