REMARK  Name = BDB047774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.665   0.508   1.081  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.669   0.446  -0.135  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -4.796  -0.292  -0.518  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -5.053  -1.601  -0.153  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -6.293  -1.903  -0.779  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -6.750  -0.849  -1.478  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -4.127  -2.262   0.667  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.984  -1.563   1.087  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -5.813   0.154  -1.306  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.754  -0.235   0.703  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -7.033  -3.192  -0.731  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -8.369  -3.061  -0.942  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -6.573  -4.074  -1.659  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -6.898  -3.810   0.476  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -3.463   1.877  -0.562  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.786   4.300   0.046  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -3.988   2.859   0.486  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -0.661  -0.066   1.916  0.00  0.00    +0.230 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.362  -0.862   1.112  0.00  0.00    +0.060 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.024  -0.004   0.031  0.00  0.00    +0.108 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.048  -0.793  -0.672  0.00  0.00    -0.333 N 
ATOM     22  C   LIG    1        1.626  -1.402  -1.930  0.00  0.00    +0.129 C 
BRANCH  21  23
ATOM     23  C   LIG    1        3.401  -0.568  -0.419  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        3.853  -0.110   0.830  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.211   0.106   1.105  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        6.180  -0.143   0.133  0.00  0.00    -0.037 A 
ATOM     27  C   LIG    1        5.759  -0.603  -1.116  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        4.397  -0.817  -1.377  0.00  0.00    +0.023 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.641   0.095   0.418  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.096   1.510   0.157  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        7.433   2.472  -0.191  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.424   1.654   0.368  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        9.586   2.600   0.170  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12