REMARK  Name = BDB062177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.265   0.971  -2.748  0.00  0.00    +0.036 C 
ATOM      2  C   LIG    1       -1.068   1.223  -1.253  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.305   0.895  -0.467  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.703   1.654   0.608  0.00  0.00    -0.340 N 
ATOM      5  H   LIG    1       -2.230   2.476   0.958  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -3.841   1.098   1.135  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -4.093  -0.014   0.336  0.00  0.00    +0.101 A 
ATOM      8  C   LIG    1       -5.216  -0.817   0.619  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -6.038  -0.460   1.705  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.753   0.662   2.486  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.643   1.469   2.216  0.00  0.00    +0.028 A 
ATOM     12  N   LIG    1       -3.124  -0.124  -0.647  0.00  0.00    -0.230 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -5.556  -2.014  -0.184  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -6.532  -2.707   0.077  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1       -4.740  -2.319  -1.235  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -4.962  -3.119  -1.810  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -3.944  -1.732  -1.471  0.00  0.00    +0.145 HD
ENDBRANCH   8  13
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  N   LIG    1        0.074   0.459  -0.714  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1        1.417   0.873  -0.651  0.00  0.00    +0.147 C 
ATOM     20  S   LIG    1        1.921   2.420  -1.051  0.00  0.00    -0.018 S 
ATOM     21  N   LIG    1        2.188  -0.229  -0.276  0.00  0.00    -0.220 N 
ATOM     22  C   LIG    1        1.393  -1.360  -0.207  0.00  0.00    +0.243 C 
ATOM     23  O   LIG    1        1.714  -2.511   0.065  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1       -0.033  -0.971  -0.511  0.00  0.00    +0.204 C 
BRANCH  21  25
ATOM     25  C   LIG    1        3.592  -0.270  -0.006  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1        4.351  -1.405  -0.334  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        5.726  -1.467  -0.070  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.385  -0.393   0.537  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.632   0.732   0.894  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        4.257   0.789   0.627  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.860  -0.465   0.844  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        8.470   0.754   0.818  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.552  -1.244  -0.033  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.107  -0.979   2.080  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   2  18
TORSDOF 5