REMARK  Name = BDB060013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.724   1.460  -0.440  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.350   1.494  -0.655  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.640   0.499  -0.186  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.828   1.212   0.443  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1       -2.350   2.352  -0.193  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -3.480   2.987   0.329  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -4.070   2.509   1.499  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.538   1.395   2.149  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.682   2.828  -1.453  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1       -2.421   0.746   1.623  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.157   2.686  -1.357  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1        2.456   2.316  -0.945  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.495  -0.979  -0.328  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.340   0.350   0.429  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1        3.685   0.835   1.007  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        4.351  -0.232   1.866  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        4.601  -1.500   1.065  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        3.321  -2.031   0.426  0.00  0.00    +0.015 C 
BRANCH  13  20
ATOM     19  O   LIG    1        2.220  -0.749  -2.731  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1        2.956  -0.774  -1.756  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.274  -0.567  -1.892  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1        4.391  -0.356  -2.842  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  C   LIG    1       -1.077  -0.451  -1.340  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.060  -1.449  -0.942  0.00  0.00    -0.240 N 
ATOM     25  C   LIG    1       -3.348  -1.461  -1.391  0.00  0.00    +0.222 C 
ATOM     26  O   LIG    1       -3.852  -0.695  -2.197  0.00  0.00    -0.275 OA
ATOM     27  C   LIG    1       -4.083  -2.587  -0.726  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -3.029  -3.291   0.109  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1       -1.801  -2.447  -0.052  0.00  0.00    +0.222 C 
ATOM     30  O   LIG    1       -0.748  -2.635   0.539  0.00  0.00    -0.275 OA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5