REMARK  Name = BDB007047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.208  -0.376   0.394  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.220  -0.927   0.397  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.799  -1.449  -0.769  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        3.105  -1.939  -0.817  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.875  -1.898   0.360  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        5.186  -2.390   0.302  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        5.682  -2.896  -0.894  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        4.849  -2.894  -1.997  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        3.326  -1.371   1.540  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        3.579  -2.430  -1.983  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        2.015  -0.889   1.554  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        1.065  -1.487  -1.935  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        1.683  -1.879  -2.591  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.186   1.153   0.300  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1       -0.190   1.764  -0.967  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1       -0.143   3.162  -1.104  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -0.101   3.955   0.052  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -0.090   3.364   1.315  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -0.129   1.975   1.437  0.00  0.00    +0.006 A 
BRANCH  16  20
ATOM     20  C   LIG    1       -0.182   3.797  -2.470  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        0.422   3.044  -3.433  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -1.453   4.015  -2.909  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        0.438   5.012  -2.513  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH   1  14
BRANCH   1  24
ATOM     24  N   LIG    1       -0.903  -0.860   1.604  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1       -0.665  -1.834   1.766  0.00  0.00    +0.148 HD
BRANCH  24  29
ATOM     26  C   LIG    1       -4.970   0.437  -0.659  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -4.302  -0.178   0.533  0.00  0.00    +0.040 A 
ATOM     28  N   LIG    1       -2.950  -0.251   0.512  0.00  0.00    -0.237 NA
ATOM     29  C   LIG    1       -2.309  -0.786   1.567  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1       -3.010  -1.263   2.672  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -4.400  -1.193   2.687  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.061  -0.641   1.599  0.00  0.00    +0.023 A 
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 6