REMARK  Name = BDB059257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.474   0.771  -1.283  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.224   0.482  -2.407  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.216  -0.427  -2.865  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.674   1.778  -0.607  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -1.440  -3.892  -1.119  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -1.547  -2.418  -0.855  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -2.674  -1.899  -0.199  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -2.775  -0.531   0.119  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1       -1.733   0.319  -0.260  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -0.602  -0.189  -0.922  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -0.500  -1.557  -1.196  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -3.949  -0.068   0.798  0.00  0.00    -0.237 N 
ATOM     13  C   LIG    1       -4.237   1.149   1.419  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -3.297   2.274   1.652  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -5.558   1.078   1.819  0.00  0.00    +0.044 A 
ATOM     16  C   LIG    1       -5.979  -0.206   1.476  0.00  0.00    +0.135 A 
ATOM     17  N   LIG    1       -5.017  -0.913   0.895  0.00  0.00    -0.175 NA
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1        2.502   1.293  -2.588  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.490   2.142  -2.005  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.946   0.398  -2.365  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        4.999   1.115  -3.053  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.659  -0.989  -2.674  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.231   0.562  -0.635  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        3.543  -0.253   0.255  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        2.634  -1.141  -0.167  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        3.774  -0.146   1.625  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.707   0.774   2.103  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.409   1.586   1.209  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.176   1.480  -0.163  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5