REMARK  Name = BDB018436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.545   4.448  -0.925  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.596   3.048  -0.531  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.827   2.413  -0.444  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.911   2.935  -0.684  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.786   0.991  -0.027  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.624   0.372   0.255  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.353   1.107   0.142  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.408   2.399  -0.244  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.737  -1.051   0.631  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.266  -1.439   1.861  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -3.381  -2.725   2.269  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -2.944  -3.672   1.412  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -2.405  -3.395   0.167  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.303  -2.063  -0.229  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1       -0.089   0.490   0.425  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.032   0.527  -0.376  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        2.025  -0.193   0.266  0.00  0.00    -0.238 N 
ATOM     18  N   LIG    1        1.576  -0.669   1.446  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1        0.310  -0.264   1.538  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.359  -0.445  -0.183  0.00  0.00    +0.083 A 
ATOM     21  C   LIG    1        4.284  -1.196   0.577  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        5.583  -1.403   0.070  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        5.971  -0.883  -1.163  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.064  -0.145  -1.911  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.771   0.074  -1.429  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1        4.021  -1.790   1.862  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1        3.925  -2.311   2.897  0.00  0.00    -0.191 NA
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4