REMARK  Name = BDB051374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.662  -0.291   1.505  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -1.971  -1.420   1.945  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.639  -1.618   1.569  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.021  -0.692   0.757  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.663   0.447   0.334  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.997   0.648   0.711  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -4.357  -0.009   1.970  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.175  -1.382   1.057  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.549  -1.670   1.648  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1       -7.606  -1.767   1.045  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -6.527  -1.915   2.977  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1       -7.465  -2.080   3.204  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -5.208  -1.195  -0.472  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.530   0.183  -1.077  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.300   1.498   0.220  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.988   0.639  -0.995  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        1.317  -1.014   0.473  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.060  -0.181  -0.419  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.751   0.942   0.353  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.519   1.884  -0.566  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.462   1.187  -1.379  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.710   0.938  -0.882  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        6.570   0.300  -1.782  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        7.888  -0.027  -1.423  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1        8.331   0.285  -0.131  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        7.478   0.920   0.771  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.171   1.246   0.396  0.00  0.00    +0.045 A 
BRANCH  24  28
ATOM     28  C   LIG    1        8.788  -0.736  -2.402  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1       10.114  -0.542  -2.150  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        8.601  -2.084  -2.394  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.595  -0.338  -3.691  0.00  0.00    -0.166 F 
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 14