REMARK  Name = BDB058433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.547  -0.144  -0.007  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.850  -1.319   0.267  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.543  -1.301   0.358  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.251  -0.109   0.150  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1        0.540   1.056  -0.179  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.853   1.034  -0.270  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.901  -0.194  -0.159  0.00  0.00    -0.482 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -3.491   1.603   1.468  0.00  0.00    +0.060 C 
ATOM      9  C   LIG    1       -3.724   0.157   0.986  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1       -3.465  -0.814   2.156  0.00  0.00    +0.060 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -5.173   0.081   0.454  0.00  0.00    -0.005 A 
ATOM     12  C   LIG    1       -5.483   0.675  -0.790  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -6.780   0.648  -1.307  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -7.788   0.029  -0.585  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -9.034   0.001  -1.075  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -7.522  -0.562   0.643  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -6.223  -0.535   1.161  0.00  0.00    +0.010 A 
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        2.761  -0.082   0.228  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.307   0.035  -1.117  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        2.768  -0.493  -1.800  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.685  -0.078  -1.324  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        5.640   0.158  -0.328  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        7.014   0.100  -0.613  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1        7.445  -0.168  -1.915  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.509  -0.363  -2.926  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.145  -0.304  -2.630  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        8.042   0.327   0.431  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        9.247   0.316   0.259  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.516   0.551   1.648  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.302   0.683   2.219  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 8