REMARK  Name = BDB002185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.305  -1.547   1.364  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -0.789  -1.222   0.552  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.892  -2.087   0.475  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.917  -3.256   1.237  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -0.849  -3.568   2.074  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.255  -2.718   2.139  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.960  -0.514   2.620  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.554  -0.745   1.487  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        2.176  -0.423   0.296  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.725  -0.703  -0.571  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.369   0.312   0.129  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.789   0.551  -1.189  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        4.960   1.268  -1.445  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        5.712   1.749  -0.382  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1        6.835   2.437  -0.625  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.312   1.527   0.929  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.140   0.808   1.185  0.00  0.00    +0.026 A 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  S   LIG    1       -0.786   0.279  -0.381  0.00  0.00    +0.028 S 
ATOM     19  O   LIG    1       -0.444   1.376   0.498  0.00  0.00    -0.164 OA
ATOM     20  O   LIG    1        0.056  -0.024  -1.528  0.00  0.00    -0.164 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.400   0.655  -1.021  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -3.365   1.322  -0.261  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -4.592   1.701  -0.827  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1       -4.849   1.413  -2.167  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.889   0.754  -2.936  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.665   0.383  -2.372  0.00  0.00    +0.030 A 
BRANCH  22  27
ATOM     27  N   LIG    1       -3.185   1.585   1.155  0.00  0.00    +0.058 N 
ATOM     28  O   LIG    1       -2.948   0.603   1.870  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1       -3.365   2.744   1.544  0.00  0.00    -0.126 OA
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 5