REMARK  Name = BDB033609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.118  -0.623  -0.920  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.361  -0.232  -0.357  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.619   0.990  -0.952  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.746   1.764  -0.709  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        3.657   1.219   0.198  0.00  0.00    +0.138 A 
ATOM      6  C   LIG    1        3.429  -0.002   0.848  0.00  0.00    +0.093 A 
ATOM      7  O   LIG    1        0.601   1.304  -1.796  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.277  -0.759   0.576  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -0.345   0.294  -1.774  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.535  -1.803  -0.597  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.178  -2.356   0.180  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.092  -2.182  -1.068  0.00  0.00    +0.082 S 
ATOM     13  O   LIG    1       -2.474  -3.336  -0.273  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.085  -2.275  -2.512  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.974  -0.408   0.822  0.00  0.00    +0.154 A 
ATOM     16  C   LIG    1       -3.071  -0.840  -0.502  0.00  0.00    +0.211 A 
ATOM     17  C   LIG    1       -3.969  -0.193  -1.329  0.00  0.00    +0.246 A 
ATOM     18  N   LIG    1       -4.724   0.860  -0.912  0.00  0.00    -0.216 NA
ATOM     19  C   LIG    1       -4.576   1.300   0.357  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -5.394   2.483   0.776  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -3.713   0.692   1.254  0.00  0.00    +0.071 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -2.813  -1.749   2.696  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -2.106  -1.005   1.699  0.00  0.00    -0.493 OA
ENDBRANCH  15  23
BRANCH  17  24
ATOM     24  O   LIG    1       -4.187  -0.657  -2.602  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -4.936   0.229  -3.426  0.00  0.00    +0.279 C 
ENDBRANCH  17  24
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        1.962  -1.960   1.153  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        2.943  -2.549   2.001  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  O   LIG    1        4.782   1.943   0.512  0.00  0.00    -0.432 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.950   1.708  -0.101  0.00  0.00    +0.262 A 
ATOM     30  S   LIG    1        6.205   0.632  -1.425  0.00  0.00    -0.037 S 
ATOM     31  C   LIG    1        7.865   1.053  -1.443  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1        8.117   1.975  -0.453  0.00  0.00    +0.122 A 
ATOM     33  N   LIG    1        7.027   2.345   0.308  0.00  0.00    -0.214 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8