REMARK  Name = BDB059300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.364   1.085   1.544  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.171   0.945   0.426  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.988   0.174  -0.219  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.779   1.587   2.586  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.008  -0.244   2.574  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.629  -0.431   1.337  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.971  -0.130   0.126  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.660   0.377   0.200  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.022   0.553   1.437  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.704   0.246   2.617  0.00  0.00    +0.058 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.659  -0.330  -1.167  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1       -4.996  -0.092  -1.161  0.00  0.00    -0.255 NA
ATOM     13  C   LIG    1       -5.673  -0.254  -2.319  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -5.085  -0.655  -3.505  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.721  -0.909  -3.503  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.997  -0.746  -2.323  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
BRANCH   5  18
ATOM     17  C   LIG    1       -4.916  -0.938   3.814  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.561  -0.506   3.798  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.678   1.183   0.681  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.811   1.532   1.646  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.626  -0.230   0.482  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        2.897  -1.100  -0.422  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        4.029  -0.664   1.800  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.037   0.417  -0.370  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        6.209   0.698   0.339  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.322   1.186  -0.344  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.264   1.384  -1.725  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.096   1.091  -2.430  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.978   0.602  -1.755  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6