REMARK  Name = BDB013197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.623  -0.255   0.201  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.668  -1.204  -0.247  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.655  -0.854  -0.139  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.357  -1.943  -0.562  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.527  -2.881  -0.959  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.081   0.382   0.360  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.200   1.243   0.794  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.755  -2.414  -0.761  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.135   0.900   0.703  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.815  -0.702  -0.019  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.204   0.159  -0.856  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        3.859   0.251  -0.745  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.083  -0.457   0.177  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.751  -1.336   1.046  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1        3.024  -2.172   2.061  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.143  -1.458   0.929  0.00  0.00    +0.071 A 
BRANCH  10  17
ATOM     17  O   LIG    1        7.185  -0.862  -0.062  0.00  0.00    -0.477 OA
BRANCH  17  19
ATOM     18  C   LIG    1        8.206   1.274  -0.604  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        7.847  -0.121  -1.089  0.00  0.00    +0.227 C 
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -2.421   0.697   0.427  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.500   1.538   1.003  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.159   0.947  -0.810  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.572   1.337  -0.490  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.488   0.453   0.074  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.348  -0.982   0.424  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.628  -1.167   1.240  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.579  -0.146   0.863  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.797   0.846   0.331  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.256   2.116   0.048  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.353   3.024  -0.503  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.033   2.632  -0.764  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.197   3.532  -1.301  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6