REMARK  Name = BDB047281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.376  -2.775   1.379  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.755  -1.543   0.767  0.00  0.00    -0.492 OA
BRANCH   2  10
ATOM      3  C   LIG    1       -5.455   2.847   0.461  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1       -5.251   2.031  -0.823  0.00  0.00    +0.203 C 
ATOM      5  O   LIG    1       -3.924   1.480  -0.836  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1       -3.734   0.291  -0.188  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -4.772  -0.529   0.255  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -4.459  -1.722   0.919  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.127  -2.102   1.113  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.094  -1.290   0.648  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1       -6.204  -0.133   0.057  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -2.406  -0.095  -0.002  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1       -6.313   0.939  -1.015  0.00  0.00    +0.064 C 
BRANCH   4  14
ATOM     14  C   LIG    1       -5.356   3.015  -1.998  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -6.341   3.211  -2.696  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.238   3.742  -2.215  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -4.457   4.302  -2.988  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.145  -2.862   1.379  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.713  -2.895  -0.039  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.137  -2.992   0.001  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.886  -1.847  -0.014  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.275  -2.001  -0.161  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        5.990  -3.570  -0.328  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.133  -0.893  -0.182  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.611   0.391  -0.050  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1        4.233   0.551   0.105  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        3.375  -0.555   0.125  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.323   1.557  -0.051  0.00  0.00    -0.483 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.743   1.459  -0.214  0.00  0.00    +0.342 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.378   2.842  -0.199  0.00  0.00    +0.424 C 
ATOM     31  F   LIG    1        8.155   3.485   0.968  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1        9.720   2.742  -0.354  0.00  0.00    -0.167 F 
ATOM     33  F   LIG    1        7.915   3.619  -1.203  0.00  0.00    -0.167 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11