REMARK  Name = BDB047668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.869  -1.547   0.413  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.861  -0.461   1.012  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -4.737   0.609   0.785  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -4.558   1.596  -0.166  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -5.692   2.440  -0.014  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -6.503   1.986   0.959  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -3.417   1.546  -0.979  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.508   0.493  -0.794  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -5.899   0.846   1.454  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.721  -0.498   0.175  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -6.017   3.660  -0.799  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -4.896   4.360  -1.135  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -6.825   4.532  -0.141  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -6.637   3.358  -1.971  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -4.129  -1.513   2.060  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.094  -2.679   0.924  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.689  -2.821   1.493  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -0.764  -1.768  -0.461  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.477  -1.018   0.018  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.532  -1.251  -0.914  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.732  -0.642  -0.663  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.027   0.158   0.446  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.314   0.724   0.575  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        4.923   1.556   1.553  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.218   1.795   1.155  0.00  0.00    +0.087 A 
ATOM     26  N   LIG    1        6.420   1.139  -0.032  0.00  0.00    -0.336 N 
ATOM     27  C   LIG    1        5.271   0.476  -0.412  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        4.993  -0.326  -1.528  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        3.711  -0.876  -1.630  0.00  0.00    +0.048 A 
BRANCH  26  30
ATOM     30  C   LIG    1        7.683   1.123  -0.757  0.00  0.00    +0.242 C 
BRANCH  30  31
ATOM     31  C   LIG    1        8.465  -0.163  -0.643  0.00  0.00    +0.325 C 
ATOM     32  O   LIG    1        9.416  -0.404  -1.379  0.00  0.00    -0.249 OA
BRANCH  31  33
ATOM     33  O   LIG    1        8.111  -1.027   0.332  0.00  0.00    -0.479 OA
ATOM     34  H   LIG    1        7.327  -0.785   0.866  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11