REMARK  Name = BDB058442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.146   2.340  -1.036  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.299   1.125  -0.767  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        1.895  -0.107  -0.441  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        1.084  -1.216  -0.187  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.307  -1.107  -0.261  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.914   0.110  -0.592  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1       -0.100   1.224  -0.837  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1        3.264  -0.107  -0.396  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1        3.916  -1.344  -0.103  0.00  0.00    +0.267 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.415  -1.164  -0.147  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.230  -2.038   0.584  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1        5.669  -3.001   1.329  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        7.616  -1.939   0.555  0.00  0.00    +0.077 A 
ATOM     14  C   LIG    1        8.201  -0.956  -0.229  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1        9.535  -0.850  -0.268  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        7.423  -0.082  -0.982  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        6.031  -0.189  -0.947  0.00  0.00    +0.012 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  18
ATOM     18  C   LIG    1       -2.420   0.221  -0.654  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.957   0.172   0.699  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1       -2.367   0.665   1.366  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.317   0.403   0.919  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -5.300   0.241  -0.064  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -6.661   0.417   0.234  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1       -7.056   0.731   1.537  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.095   0.854   2.536  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -4.743   0.678   2.228  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.643   0.253  -0.865  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -7.378  -0.001  -2.026  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -8.915   0.417  -0.461  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -9.439   0.278  -1.277  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 8