REMARK  Name = BDB034987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.114  -2.604  -0.168  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.522  -1.159  -0.098  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -0.558  -0.162   0.052  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -1.036   1.162   0.121  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.087   2.158   0.275  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.273   1.855   0.356  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.659   0.526   0.277  0.00  0.00    +0.074 A 
ATOM      8  N   LIG    1       -2.337   1.504   0.047  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.235   0.523  -0.103  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        0.758  -0.473   0.127  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1       -2.877  -0.812  -0.171  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        3.060   0.122   0.352  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.448  -1.207   0.294  0.00  0.00    +0.076 A 
ATOM     14  S   LIG    1        5.151  -1.311   0.409  0.00  0.00    +0.004 S 
ATOM     15  N   LIG    1        5.412   0.321   0.531  0.00  0.00    -0.218 NA
ATOM     16  C   LIG    1        4.232   0.935   0.487  0.00  0.00    +0.130 A 
ENDBRANCH   7  12
BRANCH   9  17
ATOM     17  N   LIG    1       -4.572   0.901  -0.148  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -5.045   0.529  -0.963  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -4.601   1.917  -0.124  0.00  0.00    +0.144 HD
ENDBRANCH   9  17
TORSDOF 2