REMARK  Name = BDB019092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.610   0.668  -0.088  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.274   1.569  -1.127  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -1.053   1.926  -1.243  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.127   2.807  -2.292  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.048   3.014  -2.849  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -2.064   1.429  -0.392  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.734   0.598   0.564  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.928   2.246  -2.130  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -0.407   0.239   0.691  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.489   2.137   1.719  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        2.861   0.848   1.042  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        1.969   0.177   0.195  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        2.402  -1.010  -0.408  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.684  -1.489  -0.152  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        4.503  -0.774   0.713  0.00  0.00    +0.126 A 
ATOM     16  N   LIG    1        4.113   0.387   1.303  0.00  0.00    -0.247 NA
BRANCH  15  17
ATOM     17  C   LIG    1        5.902  -1.268   0.953  0.00  0.00    +0.264 C 
ATOM     18  N   LIG    1        6.592  -0.934   2.125  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1        6.002  -0.261   3.271  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1        8.015  -1.212   2.205  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1        6.411  -1.976   0.079  0.00  0.00    -0.268 OA
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  N   LIG    1       -3.364   1.837  -0.590  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.609   2.332  -1.438  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.501   1.224   0.067  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.219   0.316  -0.889  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.894  -1.028  -1.044  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.825  -1.838  -0.412  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -4.298  -3.232  -0.819  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -5.122  -3.121  -2.002  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.566  -1.825  -1.964  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.571  -1.334  -2.772  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.913   0.011  -2.637  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.241   0.816  -1.708  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -6.580   2.111  -1.623  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5