REMARK  Name = BDB007968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.713  -2.011   0.089  0.00  0.00    +0.230 C 
ATOM      2  N   LIG    1       -1.960  -1.964  -0.542  0.00  0.00    -0.291 N 
ATOM      3  O   LIG    1       -0.370  -3.032   0.689  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.183  -0.757  -0.030  0.00  0.00    +0.180 C 
BRANCH   4   8
ATOM      5  C   LIG    1        4.226  -0.285   0.251  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1        3.709  -1.474   1.075  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        2.276  -1.828   0.678  0.00  0.00    +0.085 C 
ATOM      8  N   LIG    1        1.321  -0.731   0.916  0.00  0.00    -0.294 NA
ATOM      9  C   LIG    1        1.960   0.593   0.964  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1        3.116   0.740  -0.024  0.00  0.00    +0.027 C 
BRANCH   5  12
ATOM     11  O   LIG    1        5.430   0.533   2.178  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1        5.397   0.395   0.956  0.00  0.00    +0.166 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.532   0.939   0.147  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        7.736   1.229   0.811  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        8.828   1.741   0.106  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        8.713   1.968  -1.259  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        9.757   2.460  -1.938  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        7.527   1.696  -1.932  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        6.432   1.183  -1.230  0.00  0.00    +0.014 A 
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   4   8
ENDBRANCH   1   4
BRANCH   2  20
ATOM     20  C   LIG    1       -2.467  -0.842  -1.338  0.00  0.00    +0.182 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.631  -0.111  -0.678  0.00  0.00    +0.127 A 
ATOM     22  N   LIG    1       -3.458   0.266   0.625  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1       -2.670  -0.062   1.163  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1       -4.431   0.907   1.334  0.00  0.00    +0.257 A 
ATOM     25  O   LIG    1       -4.297   1.204   2.515  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -5.645   1.235   0.570  0.00  0.00    +0.064 A 
ATOM     27  C   LIG    1       -6.751   1.951   1.272  0.00  0.00    +0.202 C 
ATOM     28  O   LIG    1       -7.970   1.955   0.509  0.00  0.00    -0.375 OA
ATOM     29  C   LIG    1       -7.741   2.286  -0.861  0.00  0.00    +0.166 C 
ATOM     30  C   LIG    1       -6.914   1.192  -1.534  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1       -5.693   0.855  -0.717  0.00  0.00    +0.056 A 
ATOM     32  N   LIG    1       -4.689   0.178  -1.368  0.00  0.00    -0.237 NA
ENDBRANCH  20  21
ENDBRANCH   2  20
BRANCH   2  33
ATOM     33  C   LIG    1       -2.817  -3.159  -0.447  0.00  0.00    +0.141 C 
BRANCH  33  34
ATOM     34  C   LIG    1       -3.438  -3.366   0.933  0.00  0.00    +0.232 C 
ATOM     35  F   LIG    1       -4.365  -2.394   1.154  0.00  0.00    -0.247 F 
ENDBRANCH  33  34
ENDBRANCH   2  33
TORSDOF 8