REMARK  Name = BDB041294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.103  -0.407  -0.028  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        0.452  -1.642  -0.246  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.939  -1.731  -0.059  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.526  -2.985  -0.247  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -0.846  -4.089  -0.629  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        0.484  -4.001  -0.835  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.656  -0.573   0.316  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.035   0.606   0.530  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        1.105  -2.816  -0.642  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        0.304   0.664   0.359  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.320   0.153  -0.459  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.806  -0.388   0.724  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.427  -0.562   0.865  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.550  -0.217  -0.177  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        3.084   0.303  -1.367  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.462   0.480  -1.512  0.00  0.00    +0.013 A 
BRANCH  11  19
ATOM     17  C   LIG    1        6.968   1.916   1.291  0.00  0.00    +0.132 C 
ATOM     18  N   LIG    1        7.524   0.981   0.323  0.00  0.00    -0.304 N 
ATOM     19  C   LIG    1        6.780   0.313  -0.649  0.00  0.00    +0.246 C 
ATOM     20  O   LIG    1        7.272  -0.176  -1.664  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        8.970   0.985   0.191  0.00  0.00    +0.132 C 
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  N   LIG    1       -3.052  -0.640   0.480  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -3.477  -0.970  -0.380  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.675   0.595   0.946  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.166   0.402   1.000  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.977   0.521  -0.126  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.623   0.807  -1.538  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.021   1.078  -2.094  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.998   0.432  -1.246  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.346   0.293  -0.049  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.970  -0.062   1.129  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.180  -0.177   2.272  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.798   0.052   2.201  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.076  -0.073   3.324  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5