REMARK  Name = BDB064497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.015   0.344  -0.996  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.959   2.042   1.626  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.320   0.926   0.851  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.974  -0.299   0.629  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.309  -1.354  -0.017  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.916  -2.721  -0.150  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -2.033  -1.125  -0.553  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.391   0.112  -0.406  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -2.044   1.129   0.302  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -5.229  -0.482   1.143  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -6.363  -0.261   0.268  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.038   0.278  -1.138  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -7.261   0.745   1.007  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.167  -1.585   0.169  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.899  -2.618   0.768  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.262  -1.534  -0.633  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -8.454  -0.674  -1.046  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.991  -0.633  -0.541  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1        1.298  -0.500   0.899  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        2.165   0.729   1.267  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        3.420   0.858   0.494  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1        3.113   0.722  -0.947  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1        2.240  -0.502  -1.318  0.00  0.00    +0.100 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.420  -0.122   0.952  0.00  0.00    +0.121 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.802   0.138   0.405  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1        6.426   1.367   0.585  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        7.670   1.663   0.142  0.00  0.00    -0.251 NA
ATOM     28  C   LIG    1        8.352   0.692  -0.529  0.00  0.00    +0.144 A 
ATOM     29  C   LIG    1        7.801  -0.574  -0.746  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        6.519  -0.850  -0.274  0.00  0.00    +0.008 A 
BRANCH  28  31
ATOM     31  C   LIG    1        9.760   0.974  -1.035  0.00  0.00    +0.434 C 
ATOM     32  F   LIG    1       10.715   0.318  -0.311  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1        9.942   0.562  -2.326  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1       10.116   2.289  -1.018  0.00  0.00    -0.164 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 9