REMARK  Name = BDB054398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.163  -0.400   0.517  0.00  0.00    -0.437 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1        5.094   0.015  -0.433  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1        4.302  -1.094  -0.090  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1        2.933  -0.913   0.108  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1        2.348   0.368  -0.035  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        3.135   1.469  -0.377  0.00  0.00    +0.082 A 
ATOM      7  N   LIG    1        2.629   2.701  -0.522  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.312   2.850  -0.318  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        0.453   1.886   0.013  0.00  0.00    -0.201 NA
ATOM     10  C   LIG    1        0.991   0.656   0.136  0.00  0.00    +0.231 A 
ATOM     11  C   LIG    1        4.497   1.275  -0.571  0.00  0.00    +0.078 A 
BRANCH   2  13
ATOM     12  C   LIG    1        7.267   0.862  -0.967  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        6.433  -0.233  -0.613  0.00  0.00    -0.491 OA
ENDBRANCH   2  13
BRANCH   3  14
ATOM     14  O   LIG    1        4.955  -2.294   0.026  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1        4.180  -3.442   0.345  0.00  0.00    +0.277 C 
ENDBRANCH   3  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  C   LIG    1       -1.174  -0.273   0.232  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1       -2.074  -0.303   1.295  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -3.458  -0.234   1.065  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1       -3.955  -0.155  -0.262  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1       -5.363  -0.078  -0.439  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1       -6.234  -0.090   0.663  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -5.726  -0.172   1.954  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.011  -0.144  -1.319  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -4.349  -0.242   2.151  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -1.637  -0.212  -1.077  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -5.977   0.002  -1.790  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -5.655  -0.736  -2.710  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -6.931   0.969  -1.956  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -7.270   1.111  -2.899  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -7.051   1.720  -1.290  0.00  0.00    +0.145 HD
ENDBRANCH  20  26
ENDBRANCH   1  16
TORSDOF 5