REMARK  Name = BDB047505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.898  -1.708   0.078  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.995  -2.564   0.218  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        3.255  -2.021   0.421  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        4.528  -2.767   0.665  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1        5.579  -1.671   0.452  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1        4.891  -0.318   0.762  0.00  0.00    +0.034 C 
ATOM      7  C   LIG    1        3.447  -0.638   0.486  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1        2.362   0.218   0.388  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.087  -0.322   0.170  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -0.293  -2.352  -0.117  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -1.471  -1.570  -0.329  0.00  0.00    +0.235 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.128  -1.208   1.001  0.00  0.00    +0.100 C 
BRANCH  12  15
ATOM     13  C   LIG    1       -2.537   1.998   1.933  0.00  0.00    +0.088 C 
ATOM     14  C   LIG    1       -3.399   1.038   1.222  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -3.269  -0.276   0.826  0.00  0.00    +0.086 A 
ATOM     16  N   LIG    1       -4.419  -0.676   0.184  0.00  0.00    -0.214 NA
ATOM     17  C   LIG    1       -5.200   0.388   0.215  0.00  0.00    +0.228 A 
ATOM     18  O   LIG    1       -4.634   1.473   0.835  0.00  0.00    -0.440 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -6.550   0.559  -0.315  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -7.179  -0.513  -0.966  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -8.470  -0.380  -1.484  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -9.150   0.829  -1.357  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -8.540   1.904  -0.713  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -7.249   1.770  -0.195  0.00  0.00    +0.013 A 
ENDBRANCH  17  19
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  25
ATOM     25  C   LIG    1        5.543   0.874   0.034  0.00  0.00    +0.113 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.364   2.105   0.896  0.00  0.00    +0.309 C 
ATOM     27  O   LIG    1        4.511   2.967   0.774  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.278   2.181   1.882  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        6.056   3.007   2.363  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  C   LIG    1        5.091   1.229  -1.397  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.427   0.208  -2.455  0.00  0.00    +0.391 C 
ATOM     32  F   LIG    1        6.735  -0.123  -2.408  0.00  0.00    -0.171 F 
ATOM     33  F   LIG    1        4.703  -0.919  -2.335  0.00  0.00    -0.171 F 
ATOM     34  F   LIG    1        5.182   0.715  -3.685  0.00  0.00    -0.171 F 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH   6  25
TORSDOF 10