REMARK  Name = BDB049271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.030  -0.219   0.238  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.717   0.775   0.943  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        2.099   0.788   0.802  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        2.499   1.866   1.554  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1        1.470   2.432   2.139  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.857  -0.130   0.021  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.129  -1.066  -0.647  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        0.347   1.747   1.753  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.669  -1.099  -0.513  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.318  -0.616   0.487  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.541  -0.475   1.644  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.151  -0.345   1.556  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.505  -0.363   0.313  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -2.286  -0.498  -0.845  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.675  -0.630  -0.758  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.822  -0.767   0.581  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -7.982  -0.143  -0.277  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.565   0.220  -0.224  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -6.419   1.572   0.324  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.247   0.045   0.028  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        4.605   0.497   0.869  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.282  -0.781  -0.587  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.664  -0.245  -0.340  0.00  0.00    +0.010 A 
ATOM     24  S   LIG    1        7.479  -0.605   1.129  0.00  0.00    -0.062 S 
ATOM     25  C   LIG    1        8.831   0.298   0.661  0.00  0.00    +0.161 A 
ATOM     26  F   LIG    1        9.930   0.442   1.419  0.00  0.00    -0.198 F 
ATOM     27  C   LIG    1        8.696   0.878  -0.573  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        7.432   0.566  -1.157  0.00  0.00    +0.016 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   7  29
ATOM     29  C   LIG    1        2.702  -2.064  -1.488  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        3.164  -2.882  -2.170  0.00  0.00    -0.191 NA
ENDBRANCH   7  29
TORSDOF 7