REMARK  Name = BDB001118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.524   4.107   0.098  0.00  0.00    +0.174 C 
ATOM      2  N   LIG    1        1.252   2.691   0.058  0.00  0.00    -0.250 N 
ATOM      3  C   LIG    1        0.052   2.074  -0.097  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1        0.282   0.716  -0.037  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.882  -0.126  -0.033  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.729  -1.569   0.359  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -2.012  -2.178   0.936  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -3.192  -1.883   0.018  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -3.399  -0.377  -0.137  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -2.116   0.408  -0.212  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.287   1.892  -0.412  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.386   2.389  -0.640  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.703   0.607   0.032  0.00  0.00    +0.109 A 
ATOM     14  N   LIG    1       -1.167   2.676  -0.279  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.285   3.675  -0.372  0.00  0.00    +0.170 HD
ATOM     16  N   LIG    1        2.265   1.823   0.182  0.00  0.00    -0.168 NA
ENDROOT
BRANCH  13  17
ATOM     17  C   LIG    1        2.687  -0.635  -0.069  0.00  0.00    +0.040 A 
ATOM     18  S   LIG    1        4.342  -0.521   0.390  0.00  0.00    -0.095 S 
ATOM     19  C   LIG    1        4.638  -2.159   0.009  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        3.524  -2.772  -0.513  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.407  -1.885  -0.576  0.00  0.00    +0.018 A 
ENDBRANCH  13  17
TORSDOF 1