REMARK  Name = BDB055468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.276   0.636   0.178  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -1.357   1.480   1.216  0.00  0.00    -0.200 NA
ATOM      3  C   LIG    1       -0.226   1.811   1.839  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1        0.981   1.339   1.538  0.00  0.00    -0.215 NA
ATOM      5  C   LIG    1        1.065   0.484   0.499  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.059   0.104  -0.209  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.421  -0.022   0.189  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        2.811  -0.325  -1.134  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.110  -0.805  -1.355  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        5.035  -0.996  -0.337  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        6.195  -1.487  -0.992  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1        6.022  -1.603  -2.305  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1        4.661  -0.686   0.981  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1        4.766  -1.169  -2.501  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1        4.411  -1.151  -3.449  0.00  0.00    +0.189 HD
ATOM     16  C   LIG    1        3.364  -0.203   1.221  0.00  0.00    +0.011 A 
BRANCH  11  17
ATOM     17  N   LIG    1        7.340  -1.818  -0.375  0.00  0.00    -0.341 N 
ATOM     18  H   LIG    1        7.322  -2.079   0.602  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        7.988  -2.369  -0.927  0.00  0.00    +0.144 HD
ENDBRANCH  11  17
ENDBRANCH   5   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.722   0.499   0.204  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1       -2.439   0.248  -0.518  0.00  0.00    -0.308 N 
ATOM     22  C   LIG    1       -2.450   0.724  -1.924  0.00  0.00    +0.135 C 
ATOM     23  C   LIG    1       -3.431   1.894  -2.099  0.00  0.00    +0.179 C 
ATOM     24  O   LIG    1       -4.789   1.544  -1.793  0.00  0.00    -0.376 OA
ATOM     25  C   LIG    1       -4.893   0.500  -0.810  0.00  0.00    +0.182 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -4.005  -1.990   0.837  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -3.939  -0.545   1.316  0.00  0.00    +0.021 C 
ENDBRANCH  20  27
ENDBRANCH   1  21
BRANCH   3  28
ATOM     28  N   LIG    1       -0.320   2.676   2.910  0.00  0.00    -0.327 N 
ATOM     29  H   LIG    1       -1.247   2.627   3.308  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        0.463   2.534   3.532  0.00  0.00    +0.145 HD
ENDBRANCH   3  28
TORSDOF 5