REMARK  Name = BDB007907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.342  -0.350  -1.306  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1        0.953  -0.216  -0.051  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.187  -0.822   0.209  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        2.804  -1.585  -0.785  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.201  -1.728  -2.035  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.976  -1.115  -2.295  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -0.999   0.283  -1.577  0.00  0.00    +0.155 C 
BRANCH   7   9
ATOM      8  O   LIG    1       -2.726  -1.195  -2.400  0.00  0.00    -0.250 OA
ATOM      9  C   LIG    1       -2.143  -0.694  -1.447  0.00  0.00    +0.312 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -2.419  -0.930  -0.135  0.00  0.00    -0.460 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -3.489  -1.846   0.120  0.00  0.00    +0.267 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.758  -1.073   0.372  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1       -5.007  -0.505   1.628  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -6.173   0.230   1.855  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -7.112   0.413   0.828  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -6.850  -0.139  -0.434  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -5.684  -0.874  -0.660  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -8.359   1.228   1.066  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -9.409   0.843   0.288  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -8.169   2.552   0.809  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -8.806   1.158   2.352  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  S   LIG    1        2.966  -0.644   1.802  0.00  0.00    -0.120 S 
BRANCH  22  23
ATOM     23  C   LIG    1        3.645   1.043   1.630  0.00  0.00    +0.110 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.749   1.145   0.603  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        6.027   0.571   0.765  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        6.971   0.641  -0.273  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        6.670   1.301  -1.463  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.420   1.887  -1.629  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.469   1.807  -0.610  0.00  0.00    +0.005 A 
BRANCH  25  30
ATOM     30  C   LIG    1        6.464  -0.160   1.977  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        7.166  -1.154   1.991  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        6.090   0.451   3.112  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        6.468  -0.117   3.817  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 11