REMARK  Name = BDB023277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.143   2.201   0.405  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.952   2.385  -0.182  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.180   1.155   1.328  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.781   0.821   2.002  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.465   0.492   1.354  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.461   0.917   0.508  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.548   0.130   0.738  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.266  -0.807   1.720  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.281  -1.704   2.071  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.527  -1.631   1.440  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.792  -0.665   0.458  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.070  -2.640   3.007  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.777   0.235   0.085  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.924  -0.569   2.113  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        7.053  -0.616  -0.176  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        8.309  -1.073   0.355  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        8.992  -0.251  -0.750  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1       10.091   0.454  -0.390  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        7.666   0.524  -0.803  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -1.112   3.260   0.221  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -0.779   4.036  -0.957  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -1.342   3.916   1.486  0.00  0.00    -0.150 OA
BRANCH  20  28
ATOM     23  C   LIG    1       -4.638   0.570  -1.002  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.594   1.218   0.249  0.00  0.00    +0.181 A 
ATOM     25  F   LIG    1       -5.614   1.092   1.112  0.00  0.00    -0.200 F 
ATOM     26  C   LIG    1       -3.529   2.036   0.634  0.00  0.00    +0.187 A 
ATOM     27  F   LIG    1       -3.575   2.618   1.839  0.00  0.00    -0.200 F 
ATOM     28  C   LIG    1       -2.465   2.229  -0.227  0.00  0.00    +0.147 A 
ATOM     29  C   LIG    1       -2.474   1.631  -1.488  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -3.549   0.814  -1.862  0.00  0.00    +0.028 A 
BRANCH  23  31
ATOM     31  N   LIG    1       -5.694  -0.248  -1.401  0.00  0.00    -0.328 N 
ATOM     32  C   LIG    1       -6.018  -0.336  -2.825  0.00  0.00    +0.129 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -7.571  -0.913   0.083  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1       -6.249  -1.333  -0.555  0.00  0.00    +0.067 C 
ATOM     35  C   LIG    1       -5.270  -1.926   0.457  0.00  0.00    +0.027 C 
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 6