REMARK  Name = BDB018954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.500  -2.404  -0.219  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.495  -1.392  -0.106  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.683  -1.591   0.621  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.644  -0.567   0.705  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.470   0.654   0.039  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.308   0.864  -0.718  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.943  -2.878   1.356  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.069  -3.998   0.821  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.352  -0.170  -0.791  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.370  -3.513   0.746  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.566   0.258   0.339  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1        3.747  -0.816  -0.107  0.00  0.00    +0.103 A 
ATOM     13  C   LIG    1        4.526  -1.673  -0.877  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        3.983  -2.811  -1.462  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.625  -3.019  -1.221  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.887  -2.127  -0.431  0.00  0.00    +0.126 A 
ATOM     17  N   LIG    1        5.794  -1.147  -0.900  0.00  0.00    -0.359 N 
ATOM     18  H   LIG    1        6.581  -1.553  -1.389  0.00  0.00    +0.165 HD
ATOM     19  N   LIG    1        2.430  -1.027   0.130  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1        5.832   0.014  -0.173  0.00  0.00    +0.098 A 
BRANCH  11  24
ATOM     21  C   LIG    1        2.316   2.555   2.247  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.884   1.432   1.556  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        2.269   0.712   1.179  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        4.201   1.409   1.155  0.00  0.00    +0.247 C 
ATOM     25  O   LIG    1        5.008   2.286   1.451  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -3.506   1.657   0.172  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.243   2.172  -0.872  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -5.122   3.055  -0.316  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -6.104   3.855  -1.006  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -5.017   3.143   1.024  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -4.043   2.279   1.320  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.050   2.150  -1.461  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.748   2.228  -2.630  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        0.259   2.316  -1.813  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4