REMARK  Name = BDB023180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.089   0.520  -1.714  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        2.174   0.854  -0.979  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        2.344   1.679   0.133  0.00  0.00    -0.178 N 
ATOM      4  H   LIG    1        1.579   1.808   0.789  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.808   0.400  -1.118  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.124   0.769  -0.179  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -1.309   0.205  -0.542  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -1.154  -0.531  -1.707  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -2.284  -1.177  -2.221  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -3.511  -1.069  -1.559  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.639  -0.328  -0.375  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -2.204  -1.900  -3.346  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.514   0.337   0.147  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.210  -0.403  -2.072  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -4.890  -0.221   0.271  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -5.134   0.066   1.657  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -6.568  -0.415   1.417  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -5.990  -1.142   0.198  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        3.782   2.365   0.592  0.00  0.00    +0.093 S 
ATOM     20  O   LIG    1        4.154   3.292  -0.458  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1        3.569   2.847   1.943  0.00  0.00    -0.148 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.958   1.022   0.682  0.00  0.00    +0.211 A 
ATOM     23  C   LIG    1        4.749  -0.111   1.458  0.00  0.00    +0.063 A 
ATOM     24 BR   LIG    1        3.222  -0.453   2.522  0.00  0.00    -0.047 Br
ATOM     25  C   LIG    1        5.754  -1.082   1.449  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.906  -0.887   0.688  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        7.024   0.282  -0.044  0.00  0.00    +0.113 A 
ATOM     28  N   LIG    1        6.083   1.244  -0.059  0.00  0.00    -0.234 NA
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4