REMARK  Name = BDB061074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.633  -3.038  -0.141  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        3.615  -2.097   0.649  0.00  0.00    +0.240 C 
ATOM      3  C   LIG    1        2.381  -1.592   1.373  0.00  0.00    +0.217 C 
ATOM      4  C   LIG    1        1.812  -0.210   0.973  0.00  0.00    +0.148 C 
ATOM      5  N   LIG    1        0.386  -0.535   0.843  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.234  -1.873   1.015  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1       -0.465   0.472   0.478  0.00  0.00    +0.189 C 
ATOM      8  N   LIG    1       -0.077   1.532  -0.169  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1        1.227   1.534  -0.600  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1        2.200   0.681  -0.193  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1        3.564   0.834  -0.791  0.00  0.00    -0.011 A 
ATOM     12  C   LIG    1        4.790   0.621  -0.124  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        6.002   0.905  -0.790  0.00  0.00    +0.129 A 
ATOM     14  C   LIG    1        6.045   1.355  -2.101  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.859   1.497  -2.796  0.00  0.00    +0.003 A 
ATOM     16  F   LIG    1        7.168   0.700  -0.159  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.912  -0.063   1.207  0.00  0.00    +0.143 C 
ATOM     18  C   LIG    1        3.646   1.230  -2.152  0.00  0.00    +0.009 A 
ATOM     19  N   LIG    1        1.264  -2.604   1.302  0.00  0.00    -0.261 NA
ATOM     20  N   LIG    1        4.804  -1.488   0.980  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        5.570  -1.905   0.461  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   7  22
ATOM     22  N   LIG    1       -1.769   0.272   0.838  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -1.891  -0.265   1.688  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.757   1.325   0.689  0.00  0.00    +0.142 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.128   0.767   0.946  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.721  -0.166   0.100  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.184  -0.831  -1.113  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.474  -1.457  -1.642  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.412  -1.601  -0.550  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.982  -0.681   0.370  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.708  -0.303   1.481  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.140   0.638   2.339  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.868   1.161   2.067  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.352   2.054   2.924  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 3