REMARK  Name = BDB008984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.223   0.230   0.614  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1        0.943  -0.527  -0.324  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.589  -1.704   0.063  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.529  -2.133   1.387  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.830  -1.381   2.329  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.188  -0.202   1.948  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.342  -2.428  -0.902  0.00  0.00    -0.216 N 
ATOM      8  H   LIG    1        2.055  -2.368  -1.877  0.00  0.00    +0.174 HD
BRANCH   7   9
ATOM      9  S   LIG    1        4.025  -2.495  -0.750  0.00  0.00    +0.072 S 
ATOM     10  O   LIG    1        4.514  -3.029  -2.005  0.00  0.00    -0.150 OA
ATOM     11  O   LIG    1        4.374  -3.111   0.512  0.00  0.00    -0.150 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.490  -0.779  -0.682  0.00  0.00    +0.108 A 
ATOM     13  C   LIG    1        4.660  -0.155   0.557  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        5.029   1.190   0.602  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.239   1.897  -0.583  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.088   1.263  -1.818  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.717  -0.080  -1.872  0.00  0.00    +0.029 A 
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -0.449   1.518   0.198  0.00  0.00    +0.092 C 
BRANCH  18  27
ATOM     19  O   LIG    1       -5.584   2.069   2.127  0.00  0.00    -0.266 OA
ATOM     20  C   LIG    1       -4.462   1.909   1.657  0.00  0.00    +0.268 A 
ATOM     21  C   LIG    1       -4.205   0.950   0.553  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.389   0.167   0.059  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.997  -1.010  -0.837  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.908  -0.607  -1.822  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -2.656  -0.114  -1.089  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -2.964   0.816   0.052  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -1.890   1.646   0.684  0.00  0.00    +0.069 A 
ATOM     28  N   LIG    1       -2.101   2.486   1.653  0.00  0.00    -0.175 NA
ATOM     29  N   LIG    1       -3.375   2.604   2.112  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -3.530   3.264   2.867  0.00  0.00    +0.192 HD
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 5