REMARK  Name = BDB059382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.097   0.417   0.588  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.855  -0.573   0.425  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.745  -1.275  -0.312  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.156   1.462   1.187  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.376  -2.395  -2.015  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -3.046  -1.141  -1.262  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1       -1.769  -0.960  -0.720  0.00  0.00    +0.139 A 
ATOM      8  F   LIG    1       -0.850  -1.919  -0.916  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -1.446   0.190   0.004  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -2.427   1.179   0.197  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.716   1.011  -0.326  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -4.020  -0.155  -1.050  0.00  0.00    +0.034 A 
BRANCH  11  13
ATOM     13  N   LIG    1       -4.726   1.999  -0.135  0.00  0.00    -0.237 N 
ATOM     14  N   LIG    1       -5.979   1.815  -0.644  0.00  0.00    -0.172 NA
ATOM     15  C   LIG    1       -6.654   2.910  -0.285  0.00  0.00    +0.173 A 
ATOM     16  C   LIG    1       -5.854   3.785   0.442  0.00  0.00    +0.161 A 
ATOM     17  F   LIG    1       -6.209   4.966   0.952  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -4.624   3.199   0.536  0.00  0.00    +0.152 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.307  -0.148   0.705  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.314   0.775   1.169  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.270  -0.033  -0.709  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        3.487   1.374  -0.959  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        2.683  -0.906  -1.707  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.785  -0.760  -0.151  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        5.863   0.058   0.199  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.059  -0.526   0.618  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.175  -1.916   0.677  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.099  -2.728   0.315  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.900  -2.153  -0.105  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5