REMARK  Name = BDB034905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.410  -1.656  -2.081  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -1.381  -1.809  -1.253  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.857  -1.129  -0.143  0.00  0.00    -0.276 N 
ATOM      4  C   LIG    1       -3.136  -1.629   0.368  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -3.144  -3.128   0.113  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -2.337  -3.296  -1.501  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.743   0.272   0.012  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -2.388   1.173  -0.848  0.00  0.00    +0.148 A 
ATOM      9  F   LIG    1       -3.176   0.710  -1.830  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -2.245   2.551  -0.699  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.449   3.058   0.328  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -0.805   2.185   1.206  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -0.959   0.807   1.047  0.00  0.00    +0.141 A 
BRANCH  13  14
ATOM     14  O   LIG    1       -0.325  -0.051   1.907  0.00  0.00    -0.505 OA
ATOM     15  H   LIG    1        0.463   0.399   2.259  0.00  0.00    +0.292 HD
ENDBRANCH  13  14
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  O   LIG    1        0.274   0.490  -2.483  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        0.411  -0.580  -1.901  0.00  0.00    +0.271 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.507  -0.829  -0.960  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        2.402   0.147  -0.411  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        3.240  -0.516   0.478  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        4.212   0.015   1.244  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1        4.353   1.348   1.066  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        3.591   2.137   0.214  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1        2.915  -1.842   0.458  0.00  0.00    -0.345 N 
ATOM     25  H   LIG    1        3.388  -2.543   1.009  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        2.586   1.536  -0.544  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        1.869  -2.049  -0.402  0.00  0.00    +0.098 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4