REMARK  Name = BDB033576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.599  -1.206   1.689  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.596  -0.480   1.451  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.560  -1.246   2.085  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.919  -0.957   2.102  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        3.302   0.203   1.420  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1        2.368   1.058   0.809  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.835   2.308   0.109  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        1.675   3.235  -0.221  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        0.517   2.405  -0.740  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        0.032   1.529   0.279  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        0.971  -2.305   2.699  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        0.997   0.711   0.814  0.00  0.00    +0.141 A 
ATOM     13  N   LIG    1       -0.396  -2.258   2.489  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.897  -0.908   1.271  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -2.559  -1.450   1.835  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.272  -1.288  -0.351  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -1.351  -0.577  -1.211  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.420  -2.727  -0.444  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -4.864  -0.932   0.466  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.902  -0.605  -0.503  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -4.262   0.224  -1.568  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -5.567   0.727  -1.655  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -6.505   0.434  -0.667  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -6.152  -0.390   0.398  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.215  -2.993   1.456  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.536  -1.734   1.531  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -3.411   0.488  -2.604  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -2.912   1.824  -2.526  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  O   LIG    1        4.636   0.554   1.432  0.00  0.00    -0.438 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.450  -0.105   0.514  0.00  0.00    +0.220 A 
ATOM     31  N   LIG    1        4.907  -0.914  -0.423  0.00  0.00    -0.221 NA
ATOM     32  C   LIG    1        5.763  -1.505  -1.285  0.00  0.00    +0.114 A 
ATOM     33  C   LIG    1        7.136  -1.320  -1.255  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        7.667  -0.478  -0.284  0.00  0.00    +0.007 A 
ATOM     35  C   LIG    1        6.811   0.145   0.619  0.00  0.00    +0.067 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7