REMARK  Name = BDB019034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.666  -2.244   2.475  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.336  -1.964   1.888  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1        0.982  -1.076   0.890  0.00  0.00    +0.081 A 
ATOM      4  N   LIG    1       -0.378  -1.234   0.720  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.129  -0.516  -0.235  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.526   0.366  -0.988  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.833   0.542  -0.819  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.784  -2.167   1.638  0.00  0.00    +0.207 A 
ATOM      9  C   LIG    1        1.619  -0.120   0.058  0.00  0.00    +0.026 A 
ATOM     10  N   LIG    1        0.222  -2.634   2.345  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.053   0.217   0.092  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1        3.547   1.082   1.079  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        4.907   1.398   1.123  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        5.769   0.855   0.167  0.00  0.00    +0.088 A 
ATOM     15  C   LIG    1        5.292  -0.020  -0.813  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        3.932  -0.333  -0.851  0.00  0.00    +0.010 A 
BRANCH  14  17
ATOM     17  S   LIG    1        7.503   1.241   0.230  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        8.216   0.158  -0.420  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        7.815   1.625   1.593  0.00  0.00    -0.170 OA
ATOM     20  C   LIG    1        7.635   2.682  -0.795  0.00  0.00    +0.200 C 
ENDBRANCH  14  17
ENDBRANCH   9  11
BRANCH   5  21
ATOM     21  N   LIG    1       -2.482  -0.765  -0.344  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.805  -1.682  -0.058  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.251  -0.222  -1.452  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.715  -0.432  -1.193  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.402   0.264  -0.203  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.908   1.251   0.788  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.249   1.776   1.302  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.271   0.783   1.053  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.751   0.031   0.033  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.476  -0.895  -0.689  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.811  -1.600  -1.693  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.450  -1.366  -1.935  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.843  -2.075  -2.897  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 5