REMARK  Name = BDB023934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.080   0.013   0.485  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        1.224  -0.253   0.030  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        2.053  -0.382   1.151  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        3.428  -0.656   0.977  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.969  -0.797  -0.310  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.125  -0.669  -1.414  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.251  -0.189   2.297  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.758  -0.399  -1.265  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.031   0.050   1.869  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.927   0.725   2.442  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -5.438   0.501   2.495  0.00  0.00    +0.213 C 
ATOM     12  N   LIG    1       -4.718   0.697   1.322  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -3.253   0.556   1.442  0.00  0.00    +0.148 C 
ATOM     14  C   LIG    1       -2.606   0.457   0.105  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -1.267   0.222  -0.310  0.00  0.00    +0.165 A 
ATOM     16  N   LIG    1       -1.163   0.217  -1.649  0.00  0.00    -0.153 NA
ATOM     17  N   LIG    1       -2.413   0.435  -2.091  0.00  0.00    -0.269 N 
ATOM     18  C   LIG    1       -2.659   0.472  -3.513  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1       -3.301   0.611  -1.080  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -4.753   0.892  -1.184  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -5.241   1.454   0.165  0.00  0.00    +0.114 C 
ATOM     22  O   LIG    1       -4.903   0.150   3.547  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   5  23
ATOM     23  C   LIG    1        5.385  -1.083  -0.473  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.159  -0.697  -1.549  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        7.422  -1.149  -1.297  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.586  -0.986  -2.133  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.534  -1.804  -0.128  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.295  -1.761   0.371  0.00  0.00    +0.142 A 
ENDBRANCH   5  23
TORSDOF 2