REMARK  Name = BDB047783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.375  -0.449  -0.550  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1        3.623  -1.121  -0.274  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        4.657  -1.385   0.635  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        4.554  -1.289   2.011  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        5.843  -1.657   2.484  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1        6.667  -1.950   1.462  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1        3.331  -0.888   2.571  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.264  -0.608   1.707  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1        5.920  -1.777   0.312  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1        2.400  -0.739   0.317  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1        6.294  -1.719   3.901  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1        6.566  -0.483   4.400  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1        7.410  -2.471   4.087  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1        5.336  -2.252   4.712  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1        3.806  -1.256  -1.764  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.708   1.211  -2.410  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        4.532  -0.069  -2.405  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1        0.076  -0.872  -0.121  0.00  0.00    +0.230 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.839  -0.947  -1.342  0.00  0.00    +0.059 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.067   0.408  -2.018  0.00  0.00    +0.105 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.773   1.355  -1.160  0.00  0.00    -0.344 N 
ATOM     22  H   LIG    1       -1.184   1.788  -0.456  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.094   1.172  -0.764  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -3.574   1.885   0.342  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.901   1.764   0.773  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -5.795   0.937   0.087  0.00  0.00    -0.037 A 
ATOM     27  C   LIG    1       -5.343   0.265  -1.051  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -4.013   0.391  -1.472  0.00  0.00    +0.023 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.226   0.798   0.549  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -8.129   1.931   0.125  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -7.846   2.941  -0.496  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -9.402   1.729   0.533  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -9.877   2.526   0.213  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