REMARK  Name = BDB057162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.958  -0.132   0.196  0.00  0.00    +0.148 A 
ATOM      2  N   LIG    1        2.320   0.405   1.413  0.00  0.00    -0.326 N 
ATOM      3  C   LIG    1        1.441   0.991   2.398  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        3.695   0.355   1.513  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        4.117  -0.175   0.294  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        5.497  -0.351   0.055  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        6.409   0.014   1.059  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        5.952   0.536   2.262  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        6.842   0.876   3.204  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        4.594   0.722   2.523  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        3.029  -0.447  -0.508  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.231  -1.213  -0.580  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1       -1.770  -0.808  -0.670  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -1.144  -0.406  -1.837  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1        0.236  -0.117  -1.628  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        0.627  -0.314  -0.317  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -1.903  -0.315  -3.125  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -3.243  -1.074  -3.019  0.00  0.00    +0.086 C 
ATOM     19  S   LIG    1       -0.668  -0.920   0.626  0.00  0.00    -0.088 S 
ATOM     20  N   LIG    1       -3.975  -0.751  -1.778  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -4.059   0.263  -1.724  0.00  0.00    +0.123 HD
BRANCH  12  22
ATOM     22  C   LIG    1       -3.942  -0.744   0.713  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.793   1.136   2.396  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -4.039   0.787   0.924  0.00  0.00    -0.015 C 
ATOM     25  C   LIG    1       -5.411   1.330   0.512  0.00  0.00    +0.007 C 
ENDBRANCH  22  24
ENDBRANCH  12  22
ENDBRANCH   1  16
BRANCH   6  26
ATOM     26  C   LIG    1        6.013  -0.910  -1.216  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        7.214  -1.047  -1.412  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1        5.099  -1.270  -2.163  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        5.424  -1.675  -3.029  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        4.099  -1.179  -1.995  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4