REMARK  Name = BDB032676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.971   1.782  -2.723  0.00  0.00    +0.081 S 
ATOM      2  O   LIG    1       -1.395   2.993  -3.402  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.142   0.495  -3.363  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.714   1.806  -1.117  0.00  0.00    +0.191 A 
ATOM      5  C   LIG    1       -2.606   0.813  -0.703  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -3.180   0.876   0.574  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.837   1.901   1.453  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.948   2.892   1.046  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -1.412   2.864  -0.246  0.00  0.00    +0.150 A 
BRANCH   9  10
ATOM     10  O   LIG    1       -0.541   3.857  -0.622  0.00  0.00    -0.493 OA
ATOM     11  C   LIG    1       -1.223   5.106  -0.770  0.00  0.00    +0.277 C 
ENDBRANCH   9  10
BRANCH   5  12
ATOM     12  O   LIG    1       -3.042  -0.179  -1.538  0.00  0.00    -0.485 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -2.373  -1.427  -1.285  0.00  0.00    +0.264 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.277  -2.376  -0.532  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1       -2.838  -2.990   0.649  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -3.672  -3.871   1.340  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.949  -4.149   0.856  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.394  -3.548  -0.320  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.562  -2.667  -1.012  0.00  0.00    +0.007 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   4
BRANCH   1  20
ATOM     20  N   LIG    1        0.669   1.977  -2.430  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1        0.991   2.921  -2.616  0.00  0.00    +0.175 HD
BRANCH  20  25
ATOM     22  C   LIG    1        3.061   0.377  -0.359  0.00  0.00    +0.173 A 
ATOM     23  O   LIG    1        2.010  -0.489  -0.315  0.00  0.00    -0.353 OA
ATOM     24  N   LIG    1        0.974  -0.004  -1.092  0.00  0.00    -0.061 NA
ATOM     25  C   LIG    1        1.407   1.150  -1.599  0.00  0.00    +0.181 A 
ATOM     26  C   LIG    1        2.723   1.431  -1.176  0.00  0.00    +0.098 A 
BRANCH  22  28
ATOM     27  C   LIG    1        4.206  -0.681   1.614  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        4.256   0.002   0.387  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1        5.519   0.335  -0.134  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        6.692  -0.001   0.549  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.622  -0.663   1.771  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.380  -0.995   2.309  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1        2.749  -2.366   2.228  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        2.995  -0.959   2.200  0.00  0.00    -0.494 OA
ENDBRANCH  27  34
ENDBRANCH  22  28
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 9