REMARK  Name = BDB028679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.646  -1.555   0.910  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.919  -1.372  -0.281  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.545  -0.825  -1.383  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -0.656  -0.733  -2.407  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        0.573  -1.220  -1.996  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -2.878  -0.430  -1.421  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.616  -0.614  -0.240  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        0.408  -1.606  -0.728  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.999  -1.171   0.902  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.699  -2.209   3.200  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -0.976  -2.089   1.978  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        1.400  -2.151   0.071  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        1.175  -2.385   1.037  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.959  -2.468  -0.403  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        3.637  -2.974   0.775  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.959  -3.230  -1.632  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.627  -0.851  -0.723  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        3.776  -0.407  -2.042  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        4.310   0.862  -2.293  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        4.486   1.358  -3.696  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        4.723   1.648  -1.210  0.00  0.00    +0.129 A 
ATOM     22  F   LIG    1        5.248   2.860  -1.445  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.606   1.202   0.112  0.00  0.00    -0.013 A 
ATOM     24  C   LIG    1        5.043   2.083   1.243  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1        4.045  -0.058   0.353  0.00  0.00    +0.035 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  26
ATOM     26  C   LIG    1       -5.074  -0.213  -0.189  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.283   0.936   0.681  0.00  0.00    -0.267 N 
ATOM     28  N   LIG    1       -5.650   0.754   1.968  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -5.764   1.998   2.442  0.00  0.00    +0.134 A 
ATOM     30  C   LIG    1       -5.477   2.972   1.468  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -5.173   2.255   0.335  0.00  0.00    +0.108 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6