REMARK  Name = BDB019059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.368  -0.611  -0.192  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.555  -1.738   0.092  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.809  -1.562   0.014  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.377  -2.764   0.354  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.472  -3.685   0.614  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.412  -0.337  -0.336  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.651   0.698  -0.583  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.736  -3.052   0.459  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.719   0.530  -0.512  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.644  -0.637  -0.171  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.953   0.152   0.747  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.556   0.160   0.745  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.843  -0.611  -0.184  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.550  -1.392  -1.109  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.947  -1.400  -1.107  0.00  0.00    +0.025 A 
BRANCH  10  16
ATOM     16  N   LIG    1        7.069  -0.610  -0.201  0.00  0.00    -0.221 N 
ATOM     17  H   LIG    1        7.508  -1.487  -0.488  0.00  0.00    +0.173 HD
BRANCH  16  19
ATOM     18  C   LIG    1        8.375   1.684   0.267  0.00  0.00    +0.218 C 
ATOM     19  S   LIG    1        7.794   0.656  -1.064  0.00  0.00    +0.040 S 
ATOM     20  O   LIG    1        8.954   0.069  -1.700  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        6.804   1.386  -1.823  0.00  0.00    -0.155 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -2.788  -0.263  -0.401  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.286  -1.125  -0.594  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.443   0.900  -0.975  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.915   0.836  -0.686  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.429   1.034   0.592  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.728   1.281   1.876  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.926   1.685   2.737  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.132   1.143   2.151  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.793   0.941   0.839  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.703   0.646  -0.156  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.212   0.451  -1.447  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.837   0.546  -1.699  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.402   0.333  -2.950  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6