REMARK  Name = BDB018338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729   1.268  -0.500  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -1.990   0.568  -0.202  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -3.107   1.275   0.051  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -3.104   2.757   0.046  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -4.143   3.358   0.302  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -1.889   3.356  -0.259  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1       -1.797   4.807  -0.285  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -0.748   2.616  -0.518  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -2.154  -0.903  -0.199  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.103  -1.622  -1.401  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -2.251  -3.010  -1.399  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.453  -3.690  -0.198  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.506  -2.984   1.003  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.357  -1.595   1.004  0.00  0.00    +0.008 A 
ENDBRANCH   2   9
BRANCH   1  18
ATOM     15  N   LIG    1        2.201  -0.802  -0.662  0.00  0.00    -0.271 N 
ATOM     16  N   LIG    1        2.431  -0.092  -1.784  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        1.386   0.739  -1.848  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.490   0.563  -0.772  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.055  -0.439  -0.015  0.00  0.00    +0.116 A 
BRANCH  15  20
ATOM     20  C   LIG    1        3.121  -1.851  -0.266  0.00  0.00    +0.143 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.090  -0.376   0.386  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        4.087  -1.428   0.839  0.00  0.00    +0.020 C 
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  18
TORSDOF 4