REMARK  Name = BDB001211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.485   0.943   0.297  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.462   0.055  -0.194  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.110  -0.816  -0.566  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.245   2.096   0.640  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.490  -2.011   1.245  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1       -2.282  -0.869   0.713  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.826   0.385   0.342  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1       -3.159   1.373  -0.089  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1       -4.241   0.063   0.179  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1       -3.651  -1.046   0.585  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1       -5.700   0.184  -0.035  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -6.335   1.377  -0.414  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -7.723   1.431  -0.602  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -8.515   0.289  -0.422  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -7.893  -0.903  -0.034  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -6.507  -0.952   0.153  0.00  0.00    +0.011 A 
BRANCH  14  17
ATOM     17  C   LIG    1      -10.012   0.354  -0.603  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1      -10.658   0.693   0.547  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1      -10.555  -0.830  -1.002  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1      -10.398   1.271  -1.533  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1        1.852   0.253  -0.324  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.587  -0.780  -0.919  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.972  -0.672  -1.078  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        4.639   0.455  -0.612  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1        3.913   1.507  -0.062  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        2.526   1.399   0.099  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  O   LIG    1        5.981   0.587  -0.824  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.834   0.146   0.250  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1        8.259   0.360  -0.293  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        6.669   1.028   1.499  0.00  0.00    +0.067 C 
BRANCH  28  31
ATOM     31  C   LIG    1        6.754  -1.360   0.595  0.00  0.00    +0.348 C 
ATOM     32  O   LIG    1        6.417  -2.272  -0.146  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.183  -1.659   1.841  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        7.100  -2.635   1.887  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   2  21
TORSDOF 8