REMARK  Name = BDB019053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.960  -0.086  -0.367  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        1.294  -1.257  -0.811  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.080  -1.200  -0.901  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.496  -2.441  -1.313  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.515  -3.258  -1.522  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -0.828  -0.045  -0.594  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.202   1.024  -0.176  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.636  -2.527  -1.217  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.175   0.973  -0.070  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.185   0.246   0.181  0.00  0.00    +0.105 A 
ATOM     11  C   LIG    1        5.547   1.061  -0.758  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        4.166   0.956  -0.933  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.420   0.037  -0.178  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        4.079  -0.784   0.749  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.461  -0.685   0.929  0.00  0.00    +0.029 A 
BRANCH  10  16
ATOM     16  S   LIG    1        7.942   0.375   0.392  0.00  0.00    +0.056 S 
ATOM     17  O   LIG    1        8.519   0.827  -0.851  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        8.409  -0.802   1.087  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1        8.054   1.633   1.506  0.00  0.00    -0.204 NA
ATOM     20  H   LIG    1        7.168   2.108   1.671  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1        8.462   1.272   2.370  0.00  0.00    +0.144 HD
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -2.200  -0.080  -0.740  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.571  -0.737  -1.417  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.985   1.140  -0.658  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.443   0.787  -0.595  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.038   0.292   0.562  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.466   0.079   1.913  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.599  -0.739   2.535  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.824  -0.476   1.812  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.391  -0.022   0.594  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.209   0.134  -0.506  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.631   0.610  -1.683  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.266   0.926  -1.719  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.745   1.373  -2.871  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6