REMARK  Name = BDB059268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181  -1.081  -0.513  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.007  -0.375  -0.487  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.100   0.505   0.018  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.241  -2.248  -0.893  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.523   2.352   2.350  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.547   1.304   1.275  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.762   0.930   0.683  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -3.810  -0.088  -0.283  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -2.626  -0.732  -0.661  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.405  -0.358  -0.079  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.371   0.642   0.901  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -5.062  -0.448  -0.858  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -6.206   0.194  -0.498  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -7.165  -0.387  -1.218  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -6.673  -1.401  -2.049  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -5.321  -1.422  -1.801  0.00  0.00    +0.114 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        2.284  -1.218  -0.547  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.061  -2.194  -0.803  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.171  -1.225   0.917  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.235  -2.604   1.350  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.643  -0.182   1.773  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.772  -0.743   0.373  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        4.946   0.534  -0.153  0.00  0.00    +0.152 A 
ATOM     24  F   LIG    1        3.915   1.382  -0.268  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        6.202   0.952  -0.580  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        7.278   0.079  -0.471  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1        8.489   0.474  -0.881  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.119  -1.200   0.057  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        5.858  -1.619   0.485  0.00  0.00    +0.034 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5