REMARK  Name = BDB058553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.081  -1.173   0.194  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.933  -1.762  -0.627  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1  13
ATOM      3  N   LIG    1        3.051  -0.334   1.292  0.00  0.00    -0.280 N 
ATOM      4  C   LIG    1        4.388   0.081   1.263  0.00  0.00    +0.279 A 
ATOM      5  O   LIG    1        5.047   0.399   2.249  0.00  0.00    -0.265 OA
ATOM      6  C   LIG    1        4.925   0.085  -0.053  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1        4.221  -0.315  -1.145  0.00  0.00    +0.097 A 
ATOM      8  C   LIG    1        5.030  -0.198  -2.284  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        6.248   0.284  -1.840  0.00  0.00    +0.085 A 
ATOM     10  N   LIG    1        2.909  -0.761  -1.077  0.00  0.00    -0.214 NA
ATOM     11  N   LIG    1        6.174   0.450  -0.474  0.00  0.00    -0.355 N 
ATOM     12  H   LIG    1        6.915   0.782   0.131  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        2.385  -0.736   0.124  0.00  0.00    +0.199 A 
BRANCH   3  15
ATOM     14  C   LIG    1        2.088   0.885   3.232  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        2.441  -0.463   2.614  0.00  0.00    +0.125 C 
ENDBRANCH   3  15
ENDBRANCH   1  13
BRANCH   1  16
ATOM     16  C   LIG    1       -0.000  -0.174   0.202  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1       -0.127   0.554  -1.166  0.00  0.00    +0.106 C 
ATOM     18  N   LIG    1       -1.492   1.017  -1.483  0.00  0.00    -0.303 NA
ATOM     19  C   LIG    1       -1.464   2.099  -2.464  0.00  0.00    +0.105 C 
ATOM     20  C   LIG    1       -2.242   1.390  -0.279  0.00  0.00    +0.092 C 
ATOM     21  C   LIG    1       -2.451   0.177   0.670  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -1.317  -0.863   0.561  0.00  0.00    +0.033 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.805  -0.498   0.516  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1       -4.585  -0.767   1.651  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.826  -1.397   1.529  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.299  -1.770   0.274  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.532  -1.517  -0.861  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.292  -0.887  -0.741  0.00  0.00    +0.004 A 
ENDBRANCH  21  23
ENDBRANCH   1  16
TORSDOF 4