REMARK  Name = BDB019077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.448  -0.034  -0.071  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -0.554   0.135   1.019  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        0.793   0.059   0.740  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        1.449   0.184   1.937  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.619   0.397   2.936  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        1.295  -0.146  -0.556  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.468  -0.327  -1.552  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -0.633   0.372   2.372  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -0.886  -0.267  -1.279  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -5.830   2.067  -1.262  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -5.082   0.984  -0.531  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1       -5.723   0.013   0.267  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1       -4.970  -0.966   0.928  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -3.578  -0.978   0.812  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.920  -0.018   0.036  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -3.679   0.959  -0.625  0.00  0.00    +0.013 A 
BRANCH  12  17
ATOM     17  S   LIG    1       -7.502   0.041   0.436  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1       -7.856   1.358   0.931  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1       -8.041  -0.467  -0.811  0.00  0.00    -0.170 OA
ATOM     20  C   LIG    1       -7.944  -1.108   1.707  0.00  0.00    +0.200 C 
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  N   LIG    1        2.652  -0.184  -0.796  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.771  -0.546  -1.743  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.420   1.057  -0.705  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.853   0.796  -1.067  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.695   0.007  -0.288  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.446  -0.677   1.005  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        6.698  -1.551   1.071  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        7.726  -0.967   0.240  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        7.025  -0.186  -0.642  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        7.579   0.383  -1.771  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        6.752   1.166  -2.575  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        5.411   1.364  -2.221  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        4.650   2.131  -3.016  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5