REMARK  Name = BDB004672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.620   0.268  -0.001  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.280   0.548  -0.345  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.327   0.533   0.692  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.006   0.826   0.331  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.362   1.080  -0.935  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.607   1.059  -1.847  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.719   0.221   2.019  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.042  -0.054   2.334  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.903   0.818  -1.615  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.991  -0.026   1.326  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.451   0.533  -2.301  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.498   0.723  -2.596  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.196   0.514  -2.982  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.738   0.259  -0.997  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.893   0.011  -0.664  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -1.004   0.845   1.333  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.725   1.528   2.032  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.372   1.112   0.877  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.031  -0.096   0.254  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.981   0.087  -0.758  0.00  0.00    +0.131 A 
ATOM     21  F   LIG    1       -4.284   1.326  -1.173  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.638  -0.989  -1.345  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -4.349  -2.272  -0.905  0.00  0.00    +0.126 A 
ATOM     24  F   LIG    1       -4.976  -3.316  -1.461  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.425  -2.491   0.111  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -2.771  -1.404   0.696  0.00  0.00    +0.011 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4