REMARK  Name = BDB003253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.056  -0.090   1.679  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1       -0.373  -1.130   0.949  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -1.463  -0.933   0.206  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.114   0.240   0.165  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.679   1.276   0.904  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.574   1.131   1.705  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.914  -1.963  -0.579  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -1.431  -3.313  -0.352  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -2.321  -4.144  -1.272  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -3.658  -3.423  -1.182  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -3.271  -1.944  -1.102  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  12
ATOM     12  N   LIG    1       -2.389   2.453   0.855  0.00  0.00    -0.315 N 
ATOM     13  C   LIG    1       -3.518   2.575  -0.061  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -3.969   4.019   0.141  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -2.655   4.747   0.376  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -1.837   3.757   1.206  0.00  0.00    +0.106 C 
ENDBRANCH   5  12
BRANCH   1  18
ATOM     17  N   LIG    1        2.307  -0.487   1.960  0.00  0.00    -0.181 NA
ATOM     18  N   LIG    1        1.185  -0.298   2.493  0.00  0.00    -0.134 NA
BRANCH  17  19
ATOM     19  C   LIG    1        2.489  -0.523   0.497  0.00  0.00    +0.201 C 
BRANCH  19  23
ATOM     20  C   LIG    1        6.668  -0.575  -0.555  0.00  0.00    +0.117 A 
ATOM     21  C   LIG    1        5.855   0.449  -1.025  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.502   0.472  -0.684  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        3.959  -0.531   0.132  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1        4.796  -1.559   0.593  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        6.151  -1.581   0.253  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1        7.984  -0.557  -0.912  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        8.423  -1.320  -0.503  0.00  0.00    +0.292 HD
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 6