REMARK  Name = BDB004678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.456  -0.750   0.532  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -3.443   0.158   0.155  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -2.107  -0.242   0.348  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -1.109   0.673  -0.051  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -1.405   1.882  -0.550  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.697   2.172  -0.685  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.815  -1.503   0.926  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.827  -2.380   1.294  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -3.722   1.372  -0.371  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -4.145  -2.004   1.093  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -6.291   0.733  -0.164  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -5.597   1.423  -0.434  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -7.274   0.942  -0.258  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.917  -0.462   0.375  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.772  -1.272   0.717  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.250   0.326   0.102  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.423  -0.561  -0.362  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.202   1.337  -0.342  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.603   0.798  -0.152  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.133   0.650   1.137  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.420   0.142   1.323  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        5.207  -0.225   0.221  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.670  -0.090  -1.068  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        3.381   0.417  -1.253  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.589  -0.795   0.421  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        7.437  -0.514  -0.608  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        6.577  -2.152   0.534  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.204  -0.331   1.544  0.00  0.00    -0.166 F 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5