REMARK  Name = BDB018471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.624   1.335  -0.215  0.00  0.00    -0.238 N 
ATOM      2  N   LIG    1        1.780   2.451   0.539  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1        0.547   2.776   0.929  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.430   1.903   0.416  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.287   1.021  -0.358  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.850   1.914   0.625  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.608   0.680   0.914  0.00  0.00    -0.003 A 
ATOM      8  C   LIG    1       -3.938   0.738   1.113  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -4.676   2.022   1.042  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -5.890   2.022   1.221  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -3.905   3.146   0.776  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -4.552   4.446   0.687  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.538   3.073   0.576  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -2.003  -0.666   1.034  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -2.212  -1.629   0.043  0.00  0.00    +0.075 A 
ATOM     16  C   LIG    1       -1.589  -2.858   0.178  0.00  0.00    +0.215 A 
ATOM     17  N   LIG    1       -0.772  -3.177   1.204  0.00  0.00    -0.221 NA
ATOM     18  C   LIG    1       -0.596  -2.235   2.156  0.00  0.00    +0.115 A 
ATOM     19  C   LIG    1       -1.184  -0.982   2.119  0.00  0.00    +0.028 A 
BRANCH  16  20
ATOM     20  O   LIG    1       -1.808  -3.768  -0.835  0.00  0.00    -0.480 OA
ATOM     21  C   LIG    1       -1.340  -5.075  -0.518  0.00  0.00    +0.279 C 
ENDBRANCH  16  20
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  24
ATOM     22  C   LIG    1        3.644  -1.622  -1.240  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        2.555  -0.810  -0.909  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        2.735   0.567  -0.659  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1        4.019   1.123  -0.778  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1        5.109   0.304  -1.104  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.917  -1.058  -1.335  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        2.359  -3.626  -1.237  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        3.597  -2.967  -1.482  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  25  30
ATOM     30  C   LIG    1        4.310   2.563  -0.674  0.00  0.00    +0.339 C 
ATOM     31  O   LIG    1        5.164   3.079   0.022  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        3.601   3.253  -1.587  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        3.845   4.184  -1.409  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH   1  24
TORSDOF 7