REMARK  Name = BDB058585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.866   0.282  -0.861  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -1.993   0.558  -1.878  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -0.786   0.544  -1.320  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -0.820   0.257   0.056  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -2.166   0.095   0.318  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -8.811  -0.380   0.141  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -7.622  -0.344   0.433  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -6.574  -0.065  -0.565  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -5.234  -0.045  -0.139  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -4.282   0.226  -1.133  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -4.643   0.458  -2.440  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -5.942   0.426  -2.786  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -4.917  -0.289   1.216  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -5.870  -0.528   2.049  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -6.946   0.169  -1.887  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -7.186  -0.563   1.710  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.897  -0.755   2.402  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.321   0.142   1.025  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        1.113   1.454   1.145  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1        2.539   1.181   1.613  0.00  0.00    +0.085 C 
ATOM     21  N   LIG    1        3.291   0.401   0.623  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1        2.494  -0.639  -0.045  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1        1.238  -1.055   0.720  0.00  0.00    +0.023 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.551  -0.105   1.183  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.713  -0.075   0.187  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        5.612  -0.634  -1.262  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.609   0.472  -1.671  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        6.088   1.285  -0.466  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   4  18
TORSDOF 4