REMARK  Name = BDB064491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.104   0.403   1.658  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1        1.266  -2.259   0.864  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1        1.962  -0.968   0.499  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        3.144  -0.997  -0.288  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1        3.714  -2.304  -0.782  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        3.801   0.210  -0.585  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        3.243   1.432  -0.228  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.056   1.467   0.497  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.403   0.281   0.875  0.00  0.00    -0.030 A 
BRANCH   6  10
ATOM     10  O   LIG    1        4.952   0.191  -1.321  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1        6.198   0.394  -0.612  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1        6.213  -0.072   0.853  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1        6.602   1.869  -0.730  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1        7.230  -0.452  -1.381  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1        7.026  -1.222  -2.307  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1        8.498  -0.302  -0.931  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        9.015  -0.898  -1.514  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.074  -0.102   0.937  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -1.321   0.660  -0.312  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -2.765   0.524  -0.846  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1       -3.757   1.021   0.142  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1       -3.276   1.032   1.538  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -2.277  -0.116   1.801  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.064   0.609  -0.146  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -5.672   1.040  -1.336  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -6.974   0.660  -1.680  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -7.718  -0.168  -0.833  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -7.121  -0.616   0.351  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -5.817  -0.228   0.688  0.00  0.00    +0.023 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -9.113  -0.601  -1.206  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -9.911  -0.824  -0.123  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -9.773   0.314  -1.969  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -9.122  -1.760  -1.921  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8