REMARK  Name = BDB016449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.696  -0.583  -0.320  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1       -3.217  -0.881  -1.540  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -2.165  -0.179  -1.986  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.527   0.821  -1.236  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.385   1.523  -1.747  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        0.003   1.245  -3.063  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -0.632   0.254  -3.809  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.123   1.032   0.006  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -1.696  -0.454  -3.258  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -3.183   0.350   0.488  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.893  -0.810   0.937  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -4.837  -1.369   0.177  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.888  -2.753  -0.105  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.923  -3.564   0.364  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.940  -3.012   1.129  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.926  -1.648   1.414  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -7.221   1.052   1.646  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -5.966   0.671   1.250  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -5.686   1.477   0.189  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.152   1.052   2.272  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        0.215   2.546  -0.993  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        0.106   2.394   0.006  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.564   3.035  -1.268  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.596   2.162  -0.592  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.923   2.364   0.756  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.861   1.545   1.393  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        4.495   0.498   0.705  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        4.157   0.300  -0.643  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        3.219   1.117  -1.283  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        5.480  -0.363   1.374  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.202  -0.999   2.586  0.00  0.00    +0.119 A 
ATOM     32  N   LIG    1        6.065  -1.801   3.258  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        7.276  -1.989   2.695  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        7.662  -1.414   1.497  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        6.751  -0.594   0.833  0.00  0.00    +0.011 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6