REMARK  Name = BDB032648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.912  -0.368   0.840  0.00  0.00    +0.134 A 
ATOM      2  S   LIG    1       -1.047  -0.427  -0.651  0.00  0.00    -0.029 S 
ATOM      3  C   LIG    1        0.380  -0.575   0.271  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1        0.193  -0.658   1.568  0.00  0.00    -0.124 NA
ATOM      5  N   LIG    1       -1.140  -0.521   1.901  0.00  0.00    -0.140 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -4.180  -1.025   1.710  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1       -3.376  -0.218   0.869  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -3.991   0.769   0.066  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -5.373   0.956   0.079  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -6.156   0.160   0.910  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.569  -0.813   1.720  0.00  0.00    +0.010 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -6.070   1.875  -0.656  0.00  0.00    -0.495 OA
ATOM     13  C   LIG    1       -5.320   2.712  -1.528  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
BRANCH   6  14
ATOM     14  C   LIG    1       -3.562  -2.078   2.614  0.00  0.00    +0.195 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.967  -3.952   3.983  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1       -4.549  -2.982   3.123  0.00  0.00    -0.378 OA
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  N   LIG    1        1.726  -0.711  -0.258  0.00  0.00    -0.192 N 
ATOM     18  H   LIG    1        2.381  -0.866   0.511  0.00  0.00    +0.176 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.177   0.633  -1.185  0.00  0.00    +0.081 S 
ATOM     20  O   LIG    1        1.772   1.836  -0.487  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.721   0.345  -2.529  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.951   0.600  -1.137  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1        4.699   0.927  -2.275  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        6.098   0.866  -2.223  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        6.748   0.461  -1.056  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        6.006   0.148   0.078  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        4.613   0.246   0.047  0.00  0.00    +0.150 A 
BRANCH  23  28
ATOM     28  O   LIG    1        4.059   1.405  -3.385  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1        4.514   0.857  -4.619  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
BRANCH  27  30
ATOM     30  O   LIG    1        3.909  -0.079   1.178  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        4.001   0.969   2.151  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 9