REMARK  Name = BDB037143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.176  -1.697  -1.819  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.854  -1.096  -1.086  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.681  -0.326  -0.450  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.028  -2.666  -2.545  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.953   0.836  -1.192  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -4.085   0.009  -1.310  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -3.916  -1.357  -1.595  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.641  -1.894  -1.770  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.516  -1.074  -1.649  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.676   0.293  -1.369  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -2.089   3.018  -0.727  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -3.205   2.154  -0.911  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.485   0.546  -1.111  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.945   0.327   0.253  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.693  -0.759   0.550  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.945  -0.622   1.854  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.379   0.548   2.391  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -5.745   1.148   1.329  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        2.456  -1.539  -1.220  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.560  -2.916  -0.792  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.958  -1.088  -2.500  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.254  -0.517   0.004  0.00  0.00    +0.153 A 
ATOM     23  C   LIG    1        4.237  -1.020   0.855  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1        4.838  -2.394   0.941  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        5.589  -2.336   2.280  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        5.979  -0.875   2.502  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1        4.888  -0.165   1.762  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        4.557   1.177   1.867  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        3.556   1.679   1.038  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        2.928   0.847   0.096  0.00  0.00    +0.147 A 
BRANCH  30  31
ATOM     31  O   LIG    1        1.934   1.389  -0.681  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        2.500   2.208  -1.712  0.00  0.00    +0.277 C 
ENDBRANCH  30  31
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7