REMARK  Name = BDB008458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.145  -0.282   0.192  0.00  0.00    -0.340 N 
ATOM      2  C   LIG    1       -1.953  -1.373  -0.083  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -1.126  -2.504  -0.101  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.666  -3.765  -0.358  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -0.827  -4.974  -0.390  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1        0.534  -4.995  -0.170  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        0.896  -5.943  -0.243  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        1.510  -4.093   0.122  0.00  0.00    -0.174 NA
ATOM      9  C   LIG    1        1.394  -2.812   0.266  0.00  0.00    +0.088 A 
ATOM     10  C   LIG    1        2.640  -1.991   0.629  0.00  0.00    +0.166 C 
ATOM     11  N   LIG    1        2.554  -0.563   0.270  0.00  0.00    -0.290 N 
ATOM     12  C   LIG    1        1.332   0.167   0.615  0.00  0.00    +0.162 C 
ATOM     13  C   LIG    1        3.751   0.086  -0.016  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        4.827  -0.489  -0.119  0.00  0.00    -0.275 OA
ATOM     15  O   LIG    1       -1.383  -6.051  -0.629  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.047  -3.869  -0.596  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1       -3.850  -2.739  -0.575  0.00  0.00    +0.126 A 
ATOM     18  F   LIG    1       -5.164  -2.865  -0.805  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        0.174  -2.069   0.166  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -3.331  -1.471  -0.321  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1        0.156  -0.700   0.333  0.00  0.00    +0.046 A 
ENDROOT
BRANCH  13  22
ATOM     22  C   LIG    1        3.699   1.563  -0.217  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        3.597   2.498   0.968  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        4.877   2.420   0.194  0.00  0.00    +0.013 C 
ENDBRANCH  13  22
BRANCH   1  25
ATOM     25  C   LIG    1       -1.617   1.094   0.321  0.00  0.00    +0.137 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.643   1.816  -1.034  0.00  0.00    +0.105 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.440   3.414  -0.602  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -2.057   3.228  -1.030  0.00  0.00    -0.307 NA
ATOM     29  C   LIG    1       -1.150   4.091  -0.278  0.00  0.00    +0.104 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 4