REMARK  Name = BDB058552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.796   0.828   1.148  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -0.562   0.165   1.877  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.820   0.570   0.268  0.00  0.00    +0.199 A 
ATOM      4  N   LIG    1       -2.675  -0.512   0.551  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -2.502  -1.306   1.755  0.00  0.00    +0.155 C 
ATOM      6  C   LIG    1       -3.729  -0.872  -0.297  0.00  0.00    +0.279 A 
ATOM      7  O   LIG    1       -4.485  -1.821  -0.098  0.00  0.00    -0.265 OA
ATOM      8  C   LIG    1       -3.834  -0.015  -1.432  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1       -2.980   1.026  -1.640  0.00  0.00    +0.098 A 
ATOM     10  C   LIG    1       -3.326   1.685  -2.827  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -4.420   1.010  -3.335  0.00  0.00    +0.088 A 
ATOM     12  N   LIG    1       -4.721  -0.025  -2.477  0.00  0.00    -0.344 N 
ATOM     13  C   LIG    1       -5.803  -0.967  -2.655  0.00  0.00    +0.149 C 
ATOM     14  N   LIG    1       -1.939   1.344  -0.782  0.00  0.00    -0.214 NA
ENDBRANCH   1   3
BRANCH   1  20
ATOM     15  C   LIG    1        2.326   1.172   4.039  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1        1.501   0.851   2.876  0.00  0.00    -0.303 NA
ATOM     17  C   LIG    1        2.232   0.009   1.904  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1        2.553   0.703   0.562  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        1.283   1.275  -0.102  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1        0.264   1.810   0.919  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        0.953   2.089   2.275  0.00  0.00    +0.106 C 
BRANCH  18  22
ATOM     22  C   LIG    1        3.330  -0.207  -0.376  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        4.634   0.136  -0.762  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.365  -0.691  -1.617  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.803  -1.872  -2.097  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.509  -2.225  -1.723  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.777  -1.400  -0.868  0.00  0.00    +0.004 A 
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 3