REMARK  Name = BDB012260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.759   2.517  -1.056  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.871   1.321  -0.810  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.829   0.421  -0.901  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.965  -0.512  -0.534  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.523   0.844  -1.246  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.328  -0.336  -1.817  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        2.124  -1.061  -0.732  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        3.144  -0.134  -0.042  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.718   1.345  -0.075  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        1.202   1.491  -0.025  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        4.502  -0.285  -0.638  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        5.545  -0.475   0.225  0.00  0.00    -0.419 OA
ATOM     13  C   LIG    1        6.610  -0.564  -0.637  0.00  0.00    +0.267 A 
ATOM     14  N   LIG    1        6.243  -0.440  -1.900  0.00  0.00    -0.106 NA
ATOM     15  N   LIG    1        4.875  -0.258  -1.899  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.933  -0.771  -0.061  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        8.004  -0.871   1.293  0.00  0.00    -0.250 NA
ATOM     18  C   LIG    1        9.226  -1.062   1.836  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       10.392  -1.161   1.095  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       10.303  -1.058  -0.288  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        9.058  -0.861  -0.878  0.00  0.00    +0.033 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -3.161   0.683  -0.344  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.339   1.642  -0.456  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.542   1.042   0.222  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -5.741   1.407   1.526  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -5.136   2.076   1.980  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -6.779   0.935   2.288  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -6.942   1.283   3.452  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.679  -0.017   1.617  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -7.393  -0.342   0.287  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -8.231  -1.242  -0.373  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -9.331  -1.805   0.284  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.602  -1.470   1.611  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -8.775  -0.572   2.285  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -6.298   0.201  -0.406  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6