REMARK  Name = BDB048643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096  -1.090   0.440  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.838  -0.829   1.451  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        2.206  -0.810   1.167  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.671  -1.050  -0.134  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        1.738  -1.328  -1.141  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.370  -1.348  -0.857  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.574  -1.142   0.754  0.00  0.00    +0.264 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -2.289  -0.376  -0.216  0.00  0.00    -0.487 OA
BRANCH   8  13
ATOM      9  C   LIG    1       -7.907  -0.042   0.129  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -6.472  -0.040  -0.074  0.00  0.00    -0.007 A 
ATOM     11  C   LIG    1       -5.814  -0.831   0.872  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -4.409  -0.984   0.878  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -3.651  -0.325  -0.092  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1       -4.285   0.467  -1.042  0.00  0.00    +0.046 A 
ATOM     15  S   LIG    1       -6.925  -1.551   1.972  0.00  0.00    -0.096 S 
ATOM     16  C   LIG    1       -5.676   0.617  -1.044  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -8.262  -0.825   1.210  0.00  0.00    +0.050 A 
BRANCH   9  18
ATOM     18  C   LIG    1       -8.894   0.705  -0.725  0.00  0.00    +0.156 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -8.603   2.717   0.662  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -9.019   2.159  -0.339  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -9.720   2.863  -1.256  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -9.739   3.771  -0.886  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  C   LIG    1        4.152  -1.059  -0.433  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.752   0.112   0.119  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.103   0.254  -0.034  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        6.959  -0.643  -0.672  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        8.330  -0.370  -0.754  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        8.865   0.800  -0.195  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        7.997   1.700   0.436  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        6.630   1.425   0.517  0.00  0.00    +0.046 A 
BRANCH  28  31
ATOM     31  C   LIG    1       10.339   1.100  -0.307  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       10.649   1.755  -1.460  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       11.114  -0.022  -0.296  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       10.807   1.882   0.706  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 10