REMARK  Name = BDB047481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.908   0.560  -0.500  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.844  -0.336  -0.660  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.544  -0.022  -0.216  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.309   1.218   0.413  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.377   2.114   0.565  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.660   1.789   0.113  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.502  -1.073  -0.453  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.817  -0.713  -0.275  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.993   0.172   0.189  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.175  -2.203  -0.804  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.873  -1.696  -0.293  0.00  0.00    +0.142 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.212  -1.042  -0.479  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.115  -0.938   0.580  0.00  0.00    +0.129 A 
ATOM     14  F   LIG    1        4.796  -1.431   1.784  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        6.354  -0.323   0.419  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        6.722   0.208  -0.826  0.00  0.00    +0.058 A 
ATOM     17  C   LIG    1        5.814   0.120  -1.892  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.572  -0.499  -1.721  0.00  0.00    +0.008 A 
BRANCH  16  19
ATOM     19  C   LIG    1        8.050   0.899  -1.005  0.00  0.00    +0.418 C 
ATOM     20  F   LIG    1        8.997   0.482  -0.118  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.955   2.248  -0.844  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        8.588   0.705  -2.241  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  23
ATOM     23  O   LIG    1        0.964   1.484   0.853  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1        1.192   2.706   1.547  0.00  0.00    +0.277 C 
ENDBRANCH   4  23
BRANCH   1  25
ATOM     25  C   LIG    1       -4.295   0.200  -0.979  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.994  -0.860  -0.110  0.00  0.00    +0.102 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.975  -1.407   2.178  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -5.392  -0.326   1.276  0.00  0.00    +0.011 C 
ENDBRANCH  26  28
BRANCH  26  29
ATOM     29  C   LIG    1       -6.204  -1.369  -0.860  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1       -6.401  -2.523  -1.202  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.113  -0.415  -1.138  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -7.827  -0.900  -1.603  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10