REMARK  Name = BDB063829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.436  -3.631  -1.375  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.175  -2.476  -1.104  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.073  -1.404  -0.595  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.373  -1.626  -0.363  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.352  -0.237  -0.450  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.854  -0.548  -0.819  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.017  -1.835  -1.198  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.848  -2.267  -1.555  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.369  -0.655   0.121  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.702  -0.804  -0.305  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        5.697   0.079   0.162  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.335   1.084   1.057  0.00  0.00    +0.046 A 
ATOM     13  N   LIG    1        6.476   1.796   1.350  0.00  0.00    -0.361 N 
ATOM     14  H   LIG    1        6.511   2.589   1.976  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1        7.547   1.273   0.674  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        4.024   1.250   1.511  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        7.094   0.207  -0.070  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        3.054   0.359   1.032  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -1.875   0.345  -0.829  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.597   1.230  -0.413  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.286   0.025  -0.694  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.606  -0.334   0.762  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.101  -0.568   0.967  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.928   0.625   0.496  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.611   0.993  -0.950  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.117   1.230  -1.155  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3