REMARK  Name = BDB001866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.051  -0.429   0.039  0.00  0.00    +0.094 A 
ATOM      2  N   LIG    1        0.520  -1.408   0.838  0.00  0.00    -0.149 NA
ATOM      3  N   LIG    1       -0.837  -1.506   1.049  0.00  0.00    -0.148 NA
ATOM      4  C   LIG    1       -1.615  -0.611   0.438  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1       -3.050  -0.520   0.508  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -3.462   0.561  -0.290  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.243   1.165  -0.878  0.00  0.00    +0.196 C 
ATOM      8  O   LIG    1       -2.185   2.121  -1.621  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1       -4.784   0.925  -0.443  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.732   0.163   0.241  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.338  -0.926   1.047  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.988  -1.275   1.185  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -1.101   0.379  -0.380  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        0.247   0.499  -0.610  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        2.803   1.886   0.888  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        3.347   0.628   0.263  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.513  -0.452  -0.113  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        3.117  -1.603  -0.657  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.495  -1.679  -0.858  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.303  -0.601  -0.515  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.734   0.544   0.040  0.00  0.00    +0.004 A 
ENDBRANCH   1  17
TORSDOF 1