REMARK  Name = BDB008987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.201   2.221   1.794  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.037   1.681   2.141  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.187   2.008   1.408  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.081   2.926   0.355  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.156   3.480   0.021  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.299   3.120   0.734  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.380   1.808   2.490  0.00  0.00    -0.215 N 
ATOM      8  H   LIG    1        3.174   2.439   2.362  0.00  0.00    +0.174 HD
BRANCH   7   9
ATOM      9  S   LIG    1        2.933   0.231   2.143  0.00  0.00    +0.091 S 
ATOM     10  O   LIG    1        4.158   0.032   2.888  0.00  0.00    -0.148 OA
ATOM     11  O   LIG    1        1.840  -0.719   2.204  0.00  0.00    -0.148 OA
BRANCH   9  15
ATOM     12  C   LIG    1        4.123  -1.157  -2.769  0.00  0.00    +0.150 C 
ATOM     13  N   LIG    1        3.938  -0.406  -1.554  0.00  0.00    -0.338 N 
ATOM     14  C   LIG    1        3.438  -0.879  -0.375  0.00  0.00    +0.136 A 
ATOM     15  C   LIG    1        3.457   0.207   0.477  0.00  0.00    +0.214 A 
ATOM     16  N   LIG    1        3.958   1.329  -0.171  0.00  0.00    -0.216 NA
ATOM     17  C   LIG    1        4.237   0.918  -1.388  0.00  0.00    +0.201 A 
ENDBRANCH   9  15
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.514   1.374   1.751  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.139   0.618   0.581  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.556  -0.691   0.141  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -1.380  -1.298   0.853  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -1.153  -2.772   0.504  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -1.277  -3.002  -0.996  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -2.660  -2.586  -1.502  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.139  -1.287  -0.915  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.313  -0.660  -1.570  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -4.875  -1.181  -2.528  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -4.731   0.530  -1.040  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -5.533   0.974  -1.472  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -4.166   1.179   0.012  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5