REMARK  Name = BDB032664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.321  -0.569   0.170  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.476  -0.400  -0.887  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.833  -0.552  -0.466  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.767  -0.819   0.838  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.567  -0.819   1.294  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.914   0.426   0.713  0.00  0.00    -0.021 A 
ATOM      7  C   LIG    1       -3.539   0.218   0.896  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -2.749  -0.406  -0.088  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -3.366  -0.853  -1.275  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -4.742  -0.658  -1.452  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -5.508  -0.026  -0.467  0.00  0.00    +0.009 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -2.568  -1.499  -2.183  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1       -3.127  -1.839  -3.444  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
BRANCH   6  14
ATOM     14  C   LIG    1       -5.745   1.082   1.790  0.00  0.00    +0.194 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.199   3.380   1.584  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1       -5.076   2.202   2.372  0.00  0.00    -0.378 OA
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  N   LIG    1        1.865  -1.016   1.656  0.00  0.00    -0.201 N 
ATOM     18  H   LIG    1        1.746  -1.180   2.651  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.415  -1.308   1.110  0.00  0.00    +0.048 S 
ATOM     20  O   LIG    1        4.186  -1.434   2.334  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        3.367  -2.397   0.158  0.00  0.00    -0.155 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.865   0.236   0.294  0.00  0.00    +0.223 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.317   0.177  -0.107  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1        6.315   0.680   0.740  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        7.658   0.620   0.365  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        8.017   0.056  -0.858  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.035  -0.453  -1.705  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.691  -0.394  -1.332  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 8