REMARK  Name = BDB004665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.610   0.545  -0.413  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.279   0.433  -0.870  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.466  -0.554  -0.278  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.132  -0.637  -0.735  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.330   0.146  -1.722  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.517   1.040  -2.225  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        2.001  -1.410   0.719  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.314  -1.287   1.151  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.784   1.231  -1.843  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.115  -0.307   0.588  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.152   2.427  -1.901  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.207   2.374  -2.270  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        4.806   3.095  -2.284  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.579   1.555  -0.946  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.736   1.610  -0.541  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.731  -1.600  -0.174  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.705  -1.512   0.838  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.110  -1.629  -0.651  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.005  -0.805   0.250  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.553  -1.369   1.415  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -4.359  -0.602   2.258  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -4.613   0.727   1.942  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1       -5.386   1.462   2.753  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.075   1.306   0.799  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -3.269   0.541  -0.045  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4