REMARK  Name = BDB054376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.447  -2.687   0.437  0.00  0.00    +0.081 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1       -0.950  -3.829   0.749  0.00  0.00    -0.125 S 
BRANCH   2   8
ATOM      3  C   LIG    1       -5.111  -0.864   2.004  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -4.198  -1.387   0.932  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -4.296  -0.927  -0.389  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -3.466  -1.445  -1.382  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.465  -2.357  -1.046  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -2.300  -2.762   0.280  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.185  -2.300   1.259  0.00  0.00    +0.021 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -5.266  -0.009  -0.677  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.823   1.276  -1.140  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.800   2.267  -0.478  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.052   1.327  -2.660  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -3.404   1.799  -0.766  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -2.707   1.467   0.180  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -2.963   2.783  -1.584  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -2.092   3.033  -1.206  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.503  -1.558   1.466  0.00  0.00    +0.075 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.517  -0.541   1.065  0.00  0.00    +0.100 A 
ATOM     20  S   LIG    1        1.064   0.982   0.422  0.00  0.00    +0.029 S 
ATOM     21  N   LIG    1        2.640   1.478   0.219  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1        3.432   0.485   0.649  0.00  0.00    +0.169 A 
ATOM     23  N   LIG    1        2.823  -0.681   1.131  0.00  0.00    -0.223 NA
BRANCH  22  24
ATOM     24  C   LIG    1        4.896   0.587   0.620  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.535   1.738   0.135  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        6.931   1.826   0.110  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        7.721   0.766   0.578  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        7.086  -0.389   1.055  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        5.690  -0.475   1.079  0.00  0.00    +0.012 A 
BRANCH  27  30
ATOM     30  C   LIG    1        9.228   0.852   0.530  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        9.836   0.129   1.512  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        9.696   2.124   0.663  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        9.735   0.387  -0.645  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10