REMARK  Name = BDB033780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.002   0.483   1.875  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -0.982  -0.015   1.124  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.246   0.235   1.513  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -2.568   0.974   2.621  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.489   1.438   3.330  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.208   1.204   2.982  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.966   1.248   3.022  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -4.051   2.011   4.152  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -4.674   1.927   2.078  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -4.678   0.121   3.298  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.335   0.278   1.545  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1        1.832   0.460   2.413  0.00  0.00    +0.149 HD
BRANCH  11  16
ATOM     13  C   LIG    1        3.956  -0.300  -0.871  0.00  0.00    +0.130 C 
ATOM     14  C   LIG    1        4.132  -0.438   0.643  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1        3.095  -1.387   1.249  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        1.649  -0.995   0.896  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1        1.506  -0.879  -0.631  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        2.524   0.081  -1.248  0.00  0.00    +0.028 C 
BRANCH  13  20
ATOM     19  C   LIG    1        4.807   2.434  -0.931  0.00  0.00    +0.194 C 
ATOM     20  S   LIG    1        5.167   0.822  -1.594  0.00  0.00    -0.031 S 
ATOM     21  O   LIG    1        4.922   0.879  -3.023  0.00  0.00    -0.174 OA
ATOM     22  O   LIG    1        6.477   0.437  -1.101  0.00  0.00    -0.174 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  O   LIG    1       -3.287  -0.255   0.753  0.00  0.00    -0.470 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.897  -1.117  -0.326  0.00  0.00    +0.203 C 
ATOM     25  C   LIG    1       -2.527  -0.324  -1.585  0.00  0.00    +0.155 C 
ATOM     26  C   LIG    1       -3.873   0.156  -2.123  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -4.885  -0.918  -1.716  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -4.150  -1.875  -0.776  0.00  0.00    +0.047 C 
BRANCH  25  29
ATOM     29  O   LIG    1       -1.907  -1.181  -2.544  0.00  0.00    -0.388 OA
ATOM     30  H   LIG    1       -1.697  -0.636  -3.322  0.00  0.00    +0.210 HD
ENDBRANCH  25  29
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7