REMARK  Name = BDB023293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.316  -0.943   1.624  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        1.465  -1.643   1.096  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        1.764  -2.890   0.532  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        1.126  -3.331  -0.119  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.069  -1.274   0.962  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.289   0.003   1.316  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -1.626   0.133   1.110  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.152  -1.051   0.623  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.524  -1.089   0.351  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.311   0.044   0.576  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.756   1.230   1.081  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.092  -2.204  -0.130  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.376   1.285   1.347  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.060  -1.955   0.532  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -4.566   2.368   1.290  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -5.980   2.393   1.546  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -5.785   3.843   2.000  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -4.316   3.456   2.194  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        3.318  -3.429   0.332  0.00  0.00    +0.081 S 
ATOM     20  O   LIG    1        3.235  -4.507  -0.631  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.936  -3.622   1.624  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.258  -2.256  -0.462  0.00  0.00    +0.189 A 
ATOM     23  C   LIG    1        3.853  -1.336  -1.401  0.00  0.00    +0.241 A 
ATOM     24  O   LIG    1        2.659  -1.063  -1.939  0.00  0.00    -0.475 OA
ATOM     25  C   LIG    1        2.678  -0.181  -3.073  0.00  0.00    +0.232 C 
ATOM     26  C   LIG    1        3.616   1.006  -2.866  0.00  0.00    +0.064 C 
ATOM     27  C   LIG    1        5.028   0.496  -2.609  0.00  0.00    +0.150 C 
ATOM     28  N   LIG    1        4.987  -0.623  -1.692  0.00  0.00    -0.231 N 
ATOM     29  N   LIG    1        6.094  -1.052  -1.061  0.00  0.00    -0.175 NA
ATOM     30  C   LIG    1        5.636  -2.047  -0.290  0.00  0.00    +0.167 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4