REMARK  Name = BDB001817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.856   0.113  -0.802  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -1.584  -0.358  -1.187  0.00  0.00    +0.311 C 
ATOM      3  N   LIG    1       -0.570   0.006  -0.321  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -0.821   0.731   0.339  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.405  -0.954  -2.248  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.792  -0.354  -0.365  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        1.643   0.284   0.550  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        3.009  -0.041   0.566  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.010   0.451   1.364  0.00  0.00    -0.233 NA
ATOM     10  C   LIG    1        5.107  -0.173   0.988  0.00  0.00    +0.107 A 
ATOM     11  N   LIG    1        4.842  -1.054  -0.038  0.00  0.00    -0.331 N 
ATOM     12  C   LIG    1        5.817  -1.895  -0.689  0.00  0.00    +0.150 C 
ATOM     13  C   LIG    1        6.457   0.028   1.573  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        3.499  -0.992  -0.322  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1        2.675  -1.652  -1.239  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        1.312  -1.314  -1.238  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     17  C   LIG    1       -3.268   0.335   0.554  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -4.253   1.285   0.860  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -4.662   1.500   2.179  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.100   0.759   3.215  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.134  -0.201   2.931  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.725  -0.414   1.611  0.00  0.00    +0.023 A 
ENDBRANCH   1  17
BRANCH   1  23
ATOM     23  C   LIG    1       -3.885   0.140  -1.845  0.00  0.00    +0.142 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.751   2.298  -2.827  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.764   1.411  -2.639  0.00  0.00    -0.015 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 4