REMARK  Name = BDB008878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.722  -1.358   0.994  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.835  -2.707   0.654  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.190  -3.372   0.098  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.018  -3.407   0.881  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.114  -2.758   1.447  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.042  -1.397   1.780  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.833  -0.712   1.563  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        1.642  -1.248   0.341  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1        1.532  -2.206   0.028  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        0.525  -0.569   0.780  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.526   0.639   0.992  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1        2.854  -0.540  -0.040  0.00  0.00    +0.120 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.082  -1.470  -0.028  0.00  0.00    +0.103 C 
BRANCH  13  18
ATOM     14  C   LIG    1        8.629   1.572  -1.715  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        7.281   1.151  -1.347  0.00  0.00    -0.303 NA
ATOM     16  C   LIG    1        7.241   0.690   0.056  0.00  0.00    +0.099 C 
ATOM     17  C   LIG    1        5.840   0.172   0.460  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1        5.380  -0.911  -0.428  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        5.408  -0.447  -1.826  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        6.809   0.068  -2.232  0.00  0.00    +0.099 C 
ENDBRANCH  13  18
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   6  21
ATOM     21  C   LIG    1       -4.230  -0.713   2.420  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.545   0.665   1.843  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -5.330   0.775   0.574  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -5.795  -0.453  -0.157  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -6.309  -0.163  -1.571  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -7.184   1.083  -1.596  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.411   2.305  -1.095  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.596   2.018   0.135  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.088   3.197   0.881  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -5.297   4.343   0.498  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -4.378   2.924   2.019  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -4.013   3.714   2.539  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -4.105   1.688   2.514  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6