REMARK  Name = BDB000215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.467  -0.024   0.160  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        0.517  -1.006   0.303  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        0.704  -1.985   0.451  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -0.739  -0.455   0.165  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -0.485   0.893  -0.033  0.00  0.00    +0.097 A 
ATOM      6  N   LIG    1        0.871   1.135  -0.047  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.948  -1.268   0.186  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.213  -2.119   1.269  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.370  -2.901   1.284  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -4.258  -2.833   0.218  0.00  0.00    +0.123 A 
ATOM     11  F   LIG    1       -5.367  -3.583   0.234  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.013  -1.997  -0.864  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.856  -1.214  -0.881  0.00  0.00    +0.013 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     14  C   LIG    1        5.700  -0.565   0.382  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        4.875  -1.683   0.369  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        3.487  -1.525   0.296  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.916  -0.244   0.236  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        3.775   0.869   0.246  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        5.162   0.713   0.320  0.00  0.00    +0.046 A 
BRANCH  14  20
ATOM     20  O   LIG    1        7.045  -0.769   0.455  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        7.490   0.095   0.449  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   5  22
ATOM     22  C   LIG    1       -1.449   1.962  -0.230  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -2.667   2.000   0.450  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -3.527   3.058   0.204  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -3.257   4.064  -0.653  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -2.064   4.019  -1.283  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -1.139   3.005  -1.105  0.00  0.00    +0.030 A 
ENDBRANCH   5  22
TORSDOF 4