REMARK  Name = BDB007014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.858   0.121  -0.423  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        5.170   0.654   0.800  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        4.168   1.154   1.554  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        2.857   1.141   1.139  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        1.637   1.675   1.837  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1        0.517   1.236   0.857  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1        1.167   0.678  -0.343  0.00  0.00    -0.269 N 
ATOM      8  C   LIG    1        0.516   0.222  -1.482  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.090  -0.304  -2.439  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1        1.442   1.043   3.218  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.696   3.203   1.951  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        2.552   0.600  -0.103  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        3.550   0.088  -0.911  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        5.994  -0.413  -1.295  0.00  0.00    +0.292 C 
ATOM     15  F   LIG    1        5.538  -1.182  -2.335  0.00  0.00    -0.198 F 
ATOM     16  F   LIG    1        6.668   0.618  -1.894  0.00  0.00    -0.198 F 
BRANCH  14  18
ATOM     17  C   LIG    1        6.388  -2.513   0.102  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        7.021  -1.258  -0.509  0.00  0.00    +0.059 C 
ATOM     19  C   LIG    1        8.183  -1.671  -1.419  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   8  20
ATOM     20  C   LIG    1       -1.013   0.416  -1.532  0.00  0.00    +0.181 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.707  -0.505  -0.596  0.00  0.00    -0.287 NA
ATOM     22  C   LIG    1       -3.153  -0.179  -0.443  0.00  0.00    +0.088 C 
ATOM     23  C   LIG    1       -3.971  -0.299  -1.764  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.432  -1.244  -2.751  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -4.170  -1.582  -3.365  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.662  -2.348  -2.165  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -3.607  -3.428  -1.628  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -1.620  -1.910  -1.082  0.00  0.00    +0.103 C 
BRANCH  22  29
ATOM     29  C   LIG    1       -3.409   1.174   0.264  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.766   1.300   0.778  0.00  0.00    -0.300 N 
ATOM     31  C   LIG    1       -5.770   2.031   0.165  0.00  0.00    +0.216 C 
ATOM     32  O   LIG    1       -5.696   2.616  -0.901  0.00  0.00    -0.276 OA
ATOM     33  C   LIG    1       -6.971   2.013   1.078  0.00  0.00    +0.097 C 
ATOM     34  C   LIG    1       -6.675   0.844   2.011  0.00  0.00    +0.028 C 
ATOM     35  C   LIG    1       -5.161   0.796   2.068  0.00  0.00    +0.108 C 
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6