REMARK  Name = BDB048750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.948   1.179   0.056  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        0.493  -1.560   1.759  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        1.763  -0.947   1.284  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.975   0.211   0.557  0.00  0.00    +0.055 A 
ATOM      5  N   LIG    1        3.306   0.481   0.275  0.00  0.00    -0.244 NA
ATOM      6  C   LIG    1        4.097  -0.457   0.764  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1        3.263  -1.711   1.598  0.00  0.00    -0.072 S 
BRANCH   6   8
ATOM      8  C   LIG    1        5.569  -0.441   0.621  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        6.174   0.662  -0.009  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        7.568   0.750  -0.178  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        8.370  -0.301   0.281  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        7.793  -1.404   0.907  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.406  -1.472   1.076  0.00  0.00    +0.010 A 
BRANCH  10  14
ATOM     14  C   LIG    1        8.175   1.939  -0.878  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        7.542   3.110  -0.589  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.485   2.139  -0.558  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        8.138   1.818  -2.234  0.00  0.00    -0.166 F 
ENDBRANCH  10  14
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1        0.402   0.791  -1.319  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.467  -0.344  -1.250  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.784  -0.156  -0.934  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -2.393   1.060  -0.621  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -3.748   1.063  -0.313  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -4.582   2.238   0.090  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -5.992   1.690  -0.154  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -5.926   0.167   0.112  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -4.503  -0.117  -0.302  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -3.903  -1.329  -0.593  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -2.543  -1.339  -0.916  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -7.011  -0.571  -0.671  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.255  -1.962  -0.152  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -6.854  -2.453   0.888  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -8.042  -2.675  -0.983  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -8.140  -3.542  -0.536  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9