REMARK  Name = BDB055636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.726  -1.757   0.272  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1        1.966  -1.076   0.116  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.686   0.108  -0.566  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        2.674   1.045  -0.900  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.996   0.763  -0.521  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        4.304  -0.416   0.166  0.00  0.00    +0.016 A 
ATOM      7  N   LIG    1        0.331   0.127  -0.812  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1       -0.143   0.872  -1.308  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        3.301  -1.340   0.489  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.275  -1.010  -0.318  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -1.745  -1.261  -0.459  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1       -2.589  -0.453   0.495  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -3.480   0.341  -0.227  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -4.389   1.180   0.381  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.396   1.212   1.777  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.507   0.413   2.519  0.00  0.00    +0.000 A 
ATOM     17  N   LIG    1       -3.291   0.150  -1.586  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -3.805   0.610  -2.323  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -2.595  -0.431   1.879  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -2.276  -0.769  -1.833  0.00  0.00    +0.231 C 
ATOM     21  O   LIG    1       -1.873  -1.079  -2.943  0.00  0.00    -0.274 OA
ENDBRANCH  10  11
BRANCH   1  23
ATOM     22  O   LIG    1       -0.516  -3.311   1.404  0.00  0.00    -0.143 OA
ATOM     23  N   LIG    1        0.604  -3.053   0.952  0.00  0.00    -0.028 NA
ENDBRANCH   1  23
BRANCH   5  24
ATOM     24  C   LIG    1        5.107   1.698  -0.831  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        6.278   1.536  -0.542  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.699   2.797  -1.490  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        5.525   3.306  -1.625  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 4