REMARK  Name = BDB015427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.023  -0.675  -1.138  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.701  -0.762  -2.367  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.107  -2.160  -2.574  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.314  -2.860  -1.475  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.185  -1.812  -0.553  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.013   1.020   0.481  0.00  0.00    -0.296 NA
ATOM      7  C   LIG    1       -2.791   0.869  -0.975  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.372   1.301  -1.412  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.334   0.554  -0.664  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -0.543   0.699   0.791  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -1.968   0.279   1.219  0.00  0.00    +0.103 C 
BRANCH   6  15
ATOM     12  C   LIG    1       -7.373  -1.310   0.875  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1       -6.059  -0.968   1.561  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1       -4.905  -0.734   0.568  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -4.394   0.690   0.852  0.00  0.00    +0.057 C 
ATOM     16  C   LIG    1       -4.755   0.907   2.325  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1       -6.153   0.308   2.404  0.00  0.00    +0.005 C 
ENDBRANCH   6  15
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  S   LIG    1        1.708   0.400  -3.056  0.00  0.00    +0.077 S 
ATOM     19  O   LIG    1        1.066   1.698  -3.082  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1        2.241  -0.159  -4.285  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.061   0.499  -1.899  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        4.227  -0.236  -2.123  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        5.291  -0.133  -1.224  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        5.208   0.713  -0.106  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1        4.038   1.464   0.087  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.971   1.366  -0.808  0.00  0.00    +0.029 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.355   0.841   0.882  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        7.608   1.415   0.216  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        6.663  -0.494   1.564  0.00  0.00    +0.012 C 
ENDBRANCH  24  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 5