REMARK  Name = BDB021172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.343  -0.597  -0.480  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.818   0.679  -0.119  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.444   0.815  -0.134  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.163   2.123   0.172  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        1.381   2.723   0.418  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -0.421  -0.247  -0.454  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.067  -1.409  -0.798  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.407   1.807   0.233  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1        1.440  -1.552  -0.793  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.959  -2.619   0.016  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.777  -1.792  -0.322  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.918  -0.688  -1.060  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.666  -0.189  -1.167  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.482   0.992  -1.980  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.724  -0.948  -0.506  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.431  -2.003   0.040  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.611   4.110   0.810  0.00  0.00    +0.261 C 
ATOM     18  O   LIG    1        0.722   4.935   0.986  0.00  0.00    -0.269 OA
ATOM     19  N   LIG    1        2.930   4.416   0.980  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        3.182   5.326   1.331  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        3.620   3.677   0.914  0.00  0.00    +0.145 HD
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1       -1.786  -0.074  -0.435  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.202  -0.864  -0.925  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.463   0.080   0.849  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.940   0.209   0.627  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.774  -0.892   0.447  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.457  -2.340   0.395  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.873  -2.909   0.476  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.810  -1.904   0.028  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.132  -0.726   0.201  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.721   0.520   0.117  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.906   1.636   0.300  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.537   1.475   0.550  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.784   2.572   0.714  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5