REMARK  Name = BDB006693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.255   0.172  -0.982  0.00  0.00    +0.055 A 
ATOM      2  N   LIG    1        3.117  -0.717  -0.292  0.00  0.00    -0.187 N 
ATOM      3  C   LIG    1        4.549  -0.767  -0.335  0.00  0.00    +0.337 C 
ATOM      4  N   LIG    1        5.180  -1.851   0.285  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1        6.609  -1.754   0.517  0.00  0.00    +0.133 C 
ATOM      6  C   LIG    1        4.585  -3.159   0.534  0.00  0.00    +0.133 C 
ATOM      7  O   LIG    1        5.154   0.152  -0.881  0.00  0.00    -0.248 OA
ATOM      8  N   LIG    1        2.386  -1.542   0.547  0.00  0.00    -0.157 NA
ATOM      9  C   LIG    1        1.128  -1.188   0.332  0.00  0.00    +0.154 A 
ATOM     10  C   LIG    1       -0.156  -1.646   0.816  0.00  0.00    +0.272 C 
ATOM     11  N   LIG    1       -1.114  -0.834   0.133  0.00  0.00    -0.253 N 
ATOM     12  C   LIG    1       -0.448   0.167  -0.760  0.00  0.00    +0.146 C 
ATOM     13  O   LIG    1       -0.331  -2.549   1.617  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.985  -0.155  -0.572  0.00  0.00    +0.031 A 
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1       -2.502  -0.970   0.234  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1       -3.106  -1.813   1.095  0.00  0.00    +0.112 A 
ATOM     17  N   LIG    1       -4.484  -1.934   1.193  0.00  0.00    -0.316 N 
ATOM     18  C   LIG    1       -5.023  -2.874   2.166  0.00  0.00    +0.152 C 
ATOM     19  C   LIG    1       -5.360  -1.189   0.412  0.00  0.00    +0.254 A 
ATOM     20  O   LIG    1       -6.585  -1.263   0.477  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1       -4.718  -0.252  -0.559  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -5.637   0.555  -1.420  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -3.377  -0.176  -0.620  0.00  0.00    +0.033 A 
ENDBRANCH  11  15
BRANCH  12  24
ATOM     24  C   LIG    1       -0.613   1.614  -0.336  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1       -0.762   2.607  -1.323  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -0.918   3.950  -0.971  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.926   4.318   0.372  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -1.118   5.971   0.803  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -0.779   3.354   1.365  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.623   2.010   1.015  0.00  0.00    +0.007 A 
ENDBRANCH  12  24
BRANCH   1  32
ATOM     31  C   LIG    1        3.087   2.514  -1.278  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1        2.710   1.206  -1.958  0.00  0.00    +0.053 C 
ENDBRANCH   1  32
TORSDOF 3