REMARK  Name = BDB050288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.403   0.474   0.257  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -2.275   0.206   1.289  0.00  0.00    +0.200 A 
ATOM      3  N   LIG    1       -1.603   0.196   2.426  0.00  0.00    -0.125 NA
ATOM      4  N   LIG    1       -0.281   0.435   2.147  0.00  0.00    -0.122 NA
ATOM      5  C   LIG    1       -0.172   0.583   0.849  0.00  0.00    +0.192 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -3.679  -0.049   1.194  0.00  0.00    +0.173 A 
ATOM      7  O   LIG    1       -4.374  -0.058   0.015  0.00  0.00    -0.448 OA
ATOM      8  C   LIG    1       -5.677  -0.348   0.288  0.00  0.00    +0.177 A 
ATOM      9  C   LIG    1       -5.844  -0.526   1.655  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -7.124  -0.832   2.144  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -8.178  -0.954   1.229  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -7.971  -0.771  -0.144  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1       -6.706  -0.450  -0.654  0.00  0.00    +0.163 A 
ATOM     14  C   LIG    1       -4.560  -0.334   2.227  0.00  0.00    +0.061 A 
BRANCH  13  15
ATOM     15  O   LIG    1       -6.411  -0.272  -1.978  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -7.489   0.187  -2.787  0.00  0.00    +0.277 C 
ENDBRANCH  13  15
ENDBRANCH   2   6
BRANCH   1  18
ATOM     17  C   LIG    1       -1.732  -0.685  -1.900  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -1.723   0.634  -1.146  0.00  0.00    +0.122 C 
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  S   LIG    1        1.303   0.840  -0.013  0.00  0.00    -0.077 S 
BRANCH  19  20
ATOM     20  C   LIG    1        2.372   1.407   1.343  0.00  0.00    +0.173 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.783   1.597   0.810  0.00  0.00    +0.227 C 
ATOM     22  N   LIG    1        4.539   0.434   0.869  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        4.066  -0.395   1.212  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        4.152   2.682   0.369  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.876   0.255   0.461  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        6.681   1.271  -0.055  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        8.003   1.009  -0.437  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        8.535  -0.277  -0.306  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1        7.735  -1.299   0.213  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        6.415  -1.033   0.592  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        9.937  -0.509  -0.728  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       10.697   0.327  -1.181  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       10.323  -1.788  -0.570  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       11.249  -1.792  -0.888  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 9