REMARK  Name = BDB003163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.728   0.201   1.604  0.00  0.00    +0.275 A 
ATOM      2  N   LIG    1       -1.204   1.348   1.141  0.00  0.00    -0.176 NA
ATOM      3  C   LIG    1       -2.195   1.227   0.275  0.00  0.00    +0.224 A 
ATOM      4  N   LIG    1       -2.684   0.050  -0.106  0.00  0.00    -0.181 NA
ATOM      5  C   LIG    1       -2.148  -1.047   0.420  0.00  0.00    +0.224 A 
ATOM      6  N   LIG    1       -1.150  -1.016   1.286  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.751   2.365  -0.244  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1       -2.136   3.664  -0.047  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -3.030   4.588  -0.869  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -3.431   3.709  -2.045  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -3.604   2.323  -1.420  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  12
ATOM     12  N   LIG    1       -2.628  -2.268   0.020  0.00  0.00    -0.299 N 
ATOM     13  C   LIG    1       -2.278  -3.472   0.752  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -3.153  -4.533   0.092  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -4.428  -3.764  -0.222  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -3.927  -2.376  -0.628  0.00  0.00    +0.108 C 
ENDBRANCH   5  12
BRANCH   1  18
ATOM     17  N   LIG    1        1.512   0.266   2.092  0.00  0.00    -0.179 NA
ATOM     18  N   LIG    1        0.330   0.282   2.524  0.00  0.00    -0.113 NA
BRANCH  17  19
ATOM     19  C   LIG    1        1.807   0.165   0.652  0.00  0.00    +0.201 C 
BRANCH  19  23
ATOM     20  C   LIG    1        6.085   0.182  -0.000  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        5.352   1.368  -0.077  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.970   1.368   0.131  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        3.298   0.173   0.409  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1        4.039  -1.014   0.498  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.423  -1.010   0.290  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        8.221  -0.852  -0.133  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        7.427   0.324  -0.225  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 6