REMARK  Name = BDB049730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.589  -0.071   0.235  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -0.821   1.100   0.190  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.587   1.085   0.147  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.310  -0.109   0.158  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        0.554  -1.286   0.221  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.854  -1.263   0.263  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.740  -0.130   0.113  0.00  0.00    -0.247 N 
ATOM      8  C   LIG    1        3.575   0.990   0.040  0.00  0.00    +0.262 A 
ATOM      9  O   LIG    1        3.303   2.182  -0.003  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        4.996   0.570   0.014  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        5.125  -0.755   0.063  0.00  0.00    +0.069 A 
ATOM     12  S   LIG    1        3.631  -1.604   0.142  0.00  0.00    -0.012 S 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     13  C   LIG    1       -3.692   1.195   0.002  0.00  0.00    +0.129 C 
ATOM     14  N   LIG    1       -2.986  -0.052   0.293  0.00  0.00    -0.336 N 
ATOM     15  C   LIG    1       -3.722  -1.279  -0.010  0.00  0.00    +0.129 C 
ENDBRANCH   1  14
TORSDOF 2