REMARK  Name = BDB023365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.981  -1.456  -1.521  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.296  -1.357  -0.561  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.179  -0.791  -1.944  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.474  -0.661  -3.123  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.972  -0.275  -0.843  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.084   0.469  -1.154  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.671   0.850   0.011  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        1.954   0.361   1.089  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.427   0.663   2.369  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.587   1.433   2.519  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        4.312   1.927   1.415  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        1.781   0.222   3.458  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.829   1.620   0.124  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        0.863  -0.362   0.537  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        5.563   2.755   1.656  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        6.723   2.736   0.691  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        5.865   3.964   0.803  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -2.208  -1.823  -2.584  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -2.758  -0.591  -3.107  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.759  -2.901  -3.438  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.777  -1.887  -0.303  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -3.462  -2.499  -1.519  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -4.139  -3.656  -1.922  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -5.126  -4.201  -1.100  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.431  -3.599   0.121  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.753  -2.447   0.525  0.00  0.00    +0.047 A 
BRANCH  21  27
ATOM     27  O   LIG    1       -3.067  -0.801   0.134  0.00  0.00    -0.490 OA
BRANCH  27  29
ATOM     28  C   LIG    1       -2.937   1.581   0.181  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -3.872   0.389   0.089  0.00  0.00    +0.226 C 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 6