REMARK  Name = BDB018460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.172  -0.863   1.182  0.00  0.00    -0.238 N 
ATOM      2  N   LIG    1        0.148  -1.592   1.674  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1       -0.956  -0.913   1.365  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.672   0.282   0.689  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.703   0.297   0.591  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.569   1.291   0.205  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.739   0.959  -0.626  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -3.561   1.935  -1.053  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -3.325   3.356  -0.702  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -4.107   4.210  -1.105  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -2.200   3.604   0.075  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -1.900   4.970   0.473  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.364   2.590   0.507  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -3.081  -0.405  -1.082  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.316  -1.027  -2.078  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -2.630  -2.320  -2.500  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.708  -2.998  -1.932  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.476  -2.385  -0.944  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.165  -1.093  -0.519  0.00  0.00    +0.008 A 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  22
ATOM     20  C   LIG    1        4.890  -0.945   0.762  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        3.551  -0.551   0.684  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        2.527  -1.309   1.299  0.00  0.00    +0.086 A 
ATOM     23  C   LIG    1        2.873  -2.484   2.001  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        4.225  -2.865   2.069  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        5.220  -2.104   1.457  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1        5.693   0.890  -0.532  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.957  -0.295   0.208  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
BRANCH  23  28
ATOM     28  C   LIG    1        1.951  -3.350   2.692  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        1.306  -4.111   3.287  0.00  0.00    -0.191 NA
ENDBRANCH  23  28
ENDBRANCH   1  22
TORSDOF 5