REMARK  Name = BDB004082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.397  -0.593  -0.107  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1        1.722   0.562   0.415  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        0.413  -0.109  -0.045  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1       -0.687   0.782  -0.667  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -0.553   1.625  -1.548  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -1.878   0.467  -0.062  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -1.769  -0.561   0.840  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -2.690  -1.110   1.424  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -0.317  -0.943   1.002  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1        1.328  -0.887  -1.016  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.152   1.003  -0.534  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -3.804  -0.037  -1.452  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.162  -0.800  -2.172  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.172  -0.044  -1.462  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.590  -0.667  -2.142  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.923   0.052  -0.323  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.070  -0.386  -0.290  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.239   0.608   0.902  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.085   1.535   0.558  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  22
ATOM     20  C   LIG    1        5.895   0.159  -0.019  0.00  0.00    +0.214 A 
ATOM     21  N   LIG    1        4.587   0.242   0.230  0.00  0.00    -0.200 NA
ATOM     22  C   LIG    1        3.779  -0.646  -0.379  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        4.279  -1.609  -1.232  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        5.637  -1.597  -1.435  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        6.463  -0.718  -0.849  0.00  0.00    -0.223 NA
BRANCH  20  26
ATOM     26  N   LIG    1        6.721   1.083   0.588  0.00  0.00    -0.327 N 
ATOM     27  H   LIG    1        7.558   1.202   0.035  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        6.191   1.911   0.817  0.00  0.00    +0.145 HD
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 3