REMARK  Name = BDB021366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.363  -0.245  -0.532  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.537   0.797  -0.017  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.818   0.538   0.057  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.407   1.628   0.657  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.380   2.516   0.875  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.389  -0.666  -0.391  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.625  -1.619  -0.849  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.816   2.006   0.436  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.735  -1.384  -0.898  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.999  -0.453  -0.554  0.00  0.00    +0.078 A 
ATOM     11  N   LIG    1        4.794   0.682  -1.230  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1        3.451   0.828  -1.252  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1        2.907   1.964  -1.964  0.00  0.00    +0.173 C 
ATOM     14  C   LIG    1        2.785  -0.202  -0.628  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        3.776  -1.055  -0.179  0.00  0.00    +0.054 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.391  -0.951  -0.282  0.00  0.00    +0.141 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.783   0.412   1.688  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1        6.686  -0.960   1.169  0.00  0.00    -0.303 NA
ATOM     19  C   LIG    1        7.944  -1.666   1.412  0.00  0.00    +0.105 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  14
BRANCH   5  20
ATOM     20  C   LIG    1       -0.470   3.807   1.488  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1       -0.581   4.849   1.991  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.751  -0.863  -0.330  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.916  -1.860  -0.490  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.614  -0.127  -1.253  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.053  -0.508  -1.041  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.708  -0.376   0.181  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.235   0.175   1.476  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.380  -0.291   2.377  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.559  -0.498   1.567  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.054  -0.705   0.309  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.811  -1.160  -0.753  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.179  -1.297  -1.989  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.821  -0.973  -2.122  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.256  -1.095  -3.333  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7