REMARK  Name = BDB018898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.181  -0.163  -2.155  0.00  0.00    +0.167 A 
ATOM      2  S   LIG    1       -0.896  -0.061  -3.495  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1       -2.212   0.193  -2.430  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.764   0.199  -1.126  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.399  -0.008  -0.989  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.615   0.384   0.045  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.819   1.101  -0.018  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -4.610   1.264   1.127  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -4.201   0.713   2.345  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -3.003   0.005   2.420  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.216  -0.155   1.277  0.00  0.00    +0.010 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -5.838   2.000   1.049  0.00  0.00    +0.099 C 
ATOM     13  N   LIG    1       -6.832   2.595   0.977  0.00  0.00    -0.191 NA
ENDBRANCH   8  12
ENDBRANCH   4   6
BRANCH   1  15
ATOM     14  C   LIG    1        2.100  -0.376  -3.752  0.00  0.00    +0.140 C 
ATOM     15  N   LIG    1        1.541  -0.367  -2.399  0.00  0.00    -0.252 N 
ATOM     16  C   LIG    1        2.460  -0.459  -1.348  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1        3.678  -0.369  -1.575  0.00  0.00    -0.273 OA
BRANCH  16  18
ATOM     18  C   LIG    1        1.998  -0.668   0.111  0.00  0.00    +0.170 C 
ATOM     19  N   LIG    1        3.004  -1.482   0.899  0.00  0.00    -0.258 N 
ATOM     20  C   LIG    1        3.579  -0.628   1.958  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1        2.482   0.383   2.232  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1        1.935   0.678   0.848  0.00  0.00    +0.034 C 
BRANCH  19  23
ATOM     23  C   LIG    1        3.512  -2.653   0.497  0.00  0.00    +0.170 C 
ATOM     24  N   LIG    1        3.924  -3.681   0.160  0.00  0.00    -0.174 NA
ENDBRANCH  19  23
ENDBRANCH  16  18
ENDBRANCH   1  15
TORSDOF 5