REMARK  Name = BDB020851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.438  -0.602  -0.947  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.418  -0.959  -1.875  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1       -0.623  -1.726  -1.416  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.393  -1.987  -2.511  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.913  -1.349  -3.555  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.747  -2.119  -0.083  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.201  -1.821   0.764  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        0.235  -0.699  -3.153  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.265  -1.071   0.310  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  14
ATOM     10  O   LIG    1        5.625   2.974  -0.543  0.00  0.00    -0.174 OA
ATOM     11  S   LIG    1        5.165   1.733   0.047  0.00  0.00    -0.031 S 
ATOM     12  C   LIG    1        3.432   1.918   0.443  0.00  0.00    +0.166 C 
ATOM     13  C   LIG    1        2.557   1.685  -0.778  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1        2.644   0.249  -1.345  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        3.989  -0.459  -1.073  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1        5.167   0.489  -1.235  0.00  0.00    +0.166 C 
ATOM     17  O   LIG    1        5.817   1.171   1.214  0.00  0.00    -0.174 OA
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  N   LIG    1       -1.846  -2.827   0.354  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.645  -3.152   1.302  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.177  -2.219   0.365  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.247  -1.051   1.306  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.231   0.274   0.881  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.109   0.856  -0.478  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -3.483   2.305  -0.167  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -3.224   2.562   1.231  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -3.261   1.317   1.802  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -3.303   1.101   3.165  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -3.327  -0.218   3.613  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.299  -1.271   2.690  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.308  -2.530   3.153  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4