REMARK  Name = BDB047916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.421  -1.112   2.550  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -3.070  -1.718   3.762  0.00  0.00    +0.128 A 
ATOM      3  F   LIG    1       -3.933  -1.700   4.789  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.838  -2.346   3.935  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.924  -2.372   2.884  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.257  -1.768   1.673  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -2.510  -1.179   1.485  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -4.765  -0.446   2.403  0.00  0.00    +0.149 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -5.378   1.186   0.610  0.00  0.00    +0.403 C 
ATOM     10  N   LIG    1       -4.692   0.871   1.762  0.00  0.00    -0.252 N 
ATOM     11  O   LIG    1       -5.180   2.243   0.016  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1       -6.949   0.534  -1.000  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1       -6.231   0.219   0.196  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1       -3.893   1.914   2.417  0.00  0.00    +0.231 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.528   2.140   1.768  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1       -1.472   2.140   2.387  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -2.573   2.407   0.439  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -3.495   2.505   0.098  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   6  19
ATOM     19  O   LIG    1       -0.346  -1.815   0.654  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.241  -0.518   0.437  0.00  0.00    +0.288 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.378  -0.603  -0.523  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        1.450  -1.264  -1.730  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        0.523  -2.103  -2.505  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        2.691  -1.046  -2.261  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        3.317  -0.244  -1.340  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        2.571   0.050  -0.290  0.00  0.00    -0.210 NA
BRANCH  25  27
ATOM     27  C   LIG    1        4.678   0.182  -1.648  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        5.300   1.149  -0.844  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        6.602   1.580  -1.112  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.309   1.056  -2.200  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        8.717   1.493  -2.474  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        6.702   0.080  -2.999  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        5.398  -0.349  -2.728  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 10