REMARK  Name = BDB059299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.301   0.412  -0.653  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.346   0.635   0.226  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.237   0.423   1.221  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.498   0.301  -1.863  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.876   0.351   3.260  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.628   0.294   1.782  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -1.327   0.394   1.282  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1       -0.321   0.572   2.154  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -1.069   0.302  -0.085  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -2.144   0.096  -0.965  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -3.471  -0.015  -0.503  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.687   0.078   0.885  0.00  0.00    +0.016 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.580  -0.238  -1.454  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1       -4.276  -0.996  -2.537  0.00  0.00    -0.255 NA
ATOM     15  C   LIG    1       -5.253  -1.234  -3.440  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -6.542  -0.748  -3.324  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -6.847   0.033  -2.218  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -5.857   0.293  -1.271  0.00  0.00    +0.028 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.755   0.389  -0.341  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.691   0.233  -1.361  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.550  -0.958   0.356  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        3.578  -2.002  -0.644  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        2.976  -1.171   1.671  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.189  -0.317   0.562  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        6.192  -0.662  -0.349  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.483  -0.169  -0.166  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.769   0.656   0.924  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.766   0.989   1.837  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.472   0.499   1.661  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5