REMARK  Name = BDB050613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.922   0.026   1.439  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -2.091  -0.032   0.782  0.00  0.00    -0.016 C 
ATOM      3  C   LIG    1       -3.397  -0.282   1.399  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -4.329  -0.257   0.341  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -5.676  -0.467   0.586  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -6.071  -0.697   1.902  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -5.149  -0.721   2.956  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -7.368  -0.899   2.168  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -3.627   0.011  -0.926  0.00  0.00    -0.028 C 
ATOM     10  C   LIG    1       -3.791  -0.513   2.708  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -2.318   0.145  -0.643  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        2.867   0.742  -0.371  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.217  -0.471  -0.589  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        0.980  -0.715   0.012  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.377   0.268   0.805  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        1.018   1.498   0.986  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        2.255   1.740   0.385  0.00  0.00    +0.046 A 
BRANCH  12  18
ATOM     18  O   LIG    1        4.044   1.006  -1.010  0.00  0.00    -0.487 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.422   1.431   1.011  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        5.259   0.658  -0.306  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        6.387   1.093  -1.259  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        5.391  -0.853  -0.068  0.00  0.00    +0.055 C 
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   9  23
ATOM     23  C   LIG    1       -4.294   0.147  -2.250  0.00  0.00    +0.156 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.768  -1.178  -2.830  0.00  0.00    +0.309 C 
ATOM     25  O   LIG    1       -4.690  -2.273  -2.296  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.330  -1.025  -4.057  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -5.333  -0.105  -4.383  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 6