REMARK  Name = BDB012670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.883  -0.718   0.605  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        0.540  -1.973   0.168  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -0.724  -1.817  -0.400  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.369  -2.943  -0.950  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.714  -4.173  -0.907  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        0.547  -4.312  -0.341  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1       -1.317  -5.250  -1.429  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.037  -0.430  -0.251  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        1.204  -3.209   0.211  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1       -0.045   0.222   0.357  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -2.207   0.088  -0.699  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.858  -0.563  -1.144  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.730   1.403  -0.671  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -4.001   1.701  -1.212  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -4.505   3.009  -1.177  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -3.731   3.996  -0.604  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -2.517   3.767  -0.076  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -2.050   2.490  -0.121  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.817   0.621  -1.825  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -4.488  -0.550  -1.917  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -6.003   1.046  -2.296  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.424   0.241  -2.664  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        2.117  -0.331   1.268  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.149   0.198   0.276  0.00  0.00    +0.051 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.510   0.403   0.928  0.00  0.00    +0.161 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.626   1.553   2.656  0.00  0.00    +0.193 C 
ATOM     27  O   LIG    1        4.372   1.277   2.043  0.00  0.00    -0.383 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8