REMARK  Name = BDB049089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.247  -0.112   0.702  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.426   0.121  -0.501  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.827   0.095  -0.558  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.619  -0.165   0.571  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.927  -0.394   1.768  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.526  -0.373   1.836  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        4.002  -0.181   0.501  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        4.843  -0.090   1.710  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        6.262   0.419   1.371  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        6.923  -0.431   0.373  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        6.051  -1.199  -0.524  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.699  -0.488  -0.764  0.00  0.00    +0.124 C 
BRANCH  10  13
ATOM     13  C   LIG    1        8.132   0.032  -0.112  0.00  0.00    +0.218 A 
ATOM     14  N   LIG    1        8.646  -0.517  -1.226  0.00  0.00    -0.223 NA
ATOM     15  C   LIG    1        9.840  -0.068  -1.658  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1       10.554   0.914  -1.026  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        9.963   1.419   0.101  0.00  0.00    +0.116 A 
ATOM     18  N   LIG    1        8.773   1.000   0.569  0.00  0.00    -0.223 NA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  N   LIG    1       -3.810   0.913   0.314  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -3.913  -0.436  -0.259  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.518  -1.095  -0.081  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -1.756  -0.085   0.812  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -2.384   1.244   0.371  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -2.466  -2.518   0.317  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -2.989  -2.785   1.655  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -3.127  -3.375  -0.668  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1       -4.610   1.936  -0.360  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.457   1.242  -2.683  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.957   1.391  -1.273  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -6.102   1.728  -0.200  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -6.665   1.890   1.077  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -5.892   2.253   2.112  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -8.024   1.704   1.310  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -8.860   1.354   0.257  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -8.330   1.203  -1.025  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 6