REMARK  Name = BDB049272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.180  -0.326  -0.432  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.069  -0.438  -1.537  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.415  -0.411  -1.263  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        3.036  -0.502  -2.475  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.140  -0.605  -3.430  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.941  -0.292   0.031  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.119  -0.173   1.039  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.896  -0.565  -2.838  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.762  -0.183   0.780  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.119  -0.269  -0.770  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.321   0.494  -1.631  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.928   0.472  -1.516  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.299  -0.310  -0.536  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.101  -1.087   0.314  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.494  -1.064   0.199  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.628  -0.262  -0.905  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.111   1.532   0.658  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.327   0.118   0.337  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -7.760  -0.147   0.203  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.309  -0.300   0.203  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.872  -0.765  -0.500  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.892  -0.385   1.532  0.00  0.00    +0.147 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.390  -0.287   1.511  0.00  0.00    +0.010 A 
ATOM     24  S   LIG    1        7.343  -1.689   1.229  0.00  0.00    -0.062 S 
ATOM     25  C   LIG    1        8.778  -0.798   1.343  0.00  0.00    +0.161 A 
ATOM     26  F   LIG    1       10.000  -1.337   1.208  0.00  0.00    -0.198 F 
ATOM     27  C   LIG    1        8.572   0.535   1.582  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        7.181   0.836   1.677  0.00  0.00    +0.016 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6