REMARK  Name = BDB003198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.316   0.127  -0.787  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.232   0.213  -1.664  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -1.071   0.195  -1.161  0.00  0.00    +0.048 A 
ATOM      4  N   LIG    1       -2.127   0.251  -2.080  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1       -1.933   0.136  -3.068  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.459   0.419  -1.791  0.00  0.00    +0.245 C 
ATOM      7  C   LIG    1       -3.848   0.854  -0.351  0.00  0.00    +0.207 C 
ATOM      8  S   LIG    1       -2.921  -0.087   0.905  0.00  0.00    -0.095 S 
ATOM      9  O   LIG    1       -4.262   0.312  -2.723  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -1.288   0.076   0.221  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -0.192   0.005   1.092  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.111   0.048   0.593  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   7  13
ATOM     13  N   LIG    1       -5.309   0.835  -0.162  0.00  0.00    -0.279 NA
ATOM     14  C   LIG    1       -5.786   1.627   0.978  0.00  0.00    +0.114 C 
ATOM     15  C   LIG    1       -7.283   1.379   1.219  0.00  0.00    +0.175 C 
ATOM     16  O   LIG    1       -7.581   0.022   1.573  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -6.623  -0.919   1.071  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1       -5.960  -0.482  -0.247  0.00  0.00    +0.114 C 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     19  C   LIG    1        3.208  -2.103  -0.443  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1        3.566  -0.853  -1.101  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1        2.685   0.198  -1.339  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1        2.971   1.204  -1.983  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.982  -0.640  -1.393  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.770  -0.308  -0.148  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.575  -1.274   0.473  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        7.285  -0.963   1.633  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.196   0.314   2.186  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.398   1.282   1.579  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.687   0.973   0.419  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  21
TORSDOF 4