REMARK  Name = BDB047682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.259  -0.718  -0.898  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -2.822   1.038  -0.767  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -4.111   1.488  -1.079  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -5.054   0.769  -1.790  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -6.182   1.635  -1.848  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -5.938   2.790  -1.206  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -4.720  -0.514  -2.249  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.445  -1.018  -1.953  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -4.642   2.694  -0.733  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.518  -0.269  -1.214  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -7.490   1.355  -2.497  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -8.261   0.528  -1.740  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -8.231   2.468  -2.738  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -7.336   0.731  -3.699  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -1.844   1.870   0.021  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -0.881   2.365   2.296  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -1.844   1.495   1.505  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -1.058  -2.137  -0.888  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.266  -2.435  -0.184  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.345  -2.112  -1.074  0.00  0.00    -0.488 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.526  -2.046  -0.365  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1        2.950  -0.842   0.236  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        2.404   0.468   0.323  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        3.272   1.239   1.060  0.00  0.00    +0.087 A 
ATOM     25  N   LIG    1        4.335   0.450   1.419  0.00  0.00    -0.336 N 
ATOM     26  C   LIG    1        4.168  -0.830   0.926  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        4.979  -1.974   1.015  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1        4.544  -3.145   0.382  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        3.335  -3.183  -0.307  0.00  0.00    +0.046 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.450   0.898   2.233  0.00  0.00    +0.242 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.694   1.110   1.423  0.00  0.00    +0.325 C 
ATOM     32  O   LIG    1        7.661   0.365   1.381  0.00  0.00    -0.249 OA
BRANCH  31  33
ATOM     33  O   LIG    1        6.683   2.254   0.709  0.00  0.00    -0.479 OA
ATOM     34  H   LIG    1        7.523   2.234   0.203  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11