REMARK  Name = BDB012823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.107  -0.674  -1.363  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -1.261  -0.822  -0.683  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -2.144  -1.316  -1.740  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -3.517  -1.155  -1.839  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -4.085  -1.305  -2.920  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.374  -1.715  -2.906  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.064  -1.786  -2.414  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        3.580  -0.241   0.087  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1        2.481  -0.123  -0.766  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        1.293  -0.773  -0.442  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1        1.171  -1.539   0.667  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1        2.239  -1.653   1.490  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        2.077  -2.507   2.712  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        3.451  -1.022   1.236  0.00  0.00    +0.031 A 
BRANCH   8  18
ATOM     15  N   LIG    1        6.753   1.473  -0.025  0.00  0.00    -0.271 N 
ATOM     16  N   LIG    1        6.564   1.421  -1.355  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.393   0.790  -1.479  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1        4.828   0.430  -0.232  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        5.744   0.893   0.691  0.00  0.00    +0.116 A 
BRANCH  15  21
ATOM     20  C   LIG    1        7.793   3.609   0.626  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1        7.945   2.103   0.510  0.00  0.00    +0.140 C 
ENDBRANCH  15  21
ENDBRANCH   8  18
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1       -4.249  -0.795  -0.651  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -3.997  -1.227   0.620  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1       -3.273  -1.867   0.925  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -4.837  -0.738   1.547  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1       -5.717  -0.019   0.839  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -5.400  -0.039  -0.539  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.859   0.672   1.528  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1       -6.789   2.189   1.348  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -8.210   0.136   1.052  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 5