REMARK  Name = BDB058566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.107   0.990   0.030  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.756   1.599  -0.696  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.460   0.723   0.007  0.00  0.00    +0.199 A 
ATOM      4  N   LIG    1        3.305   1.677  -0.595  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        2.781   2.933  -1.102  0.00  0.00    +0.155 C 
ATOM      6  C   LIG    1        4.685   1.480  -0.712  0.00  0.00    +0.279 A 
ATOM      7  O   LIG    1        5.466   2.259  -1.252  0.00  0.00    -0.265 OA
ATOM      8  C   LIG    1        5.105   0.255  -0.129  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1        4.247  -0.617   0.463  0.00  0.00    +0.097 A 
ATOM     10  C   LIG    1        4.968  -1.720   0.940  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        6.292  -1.482   0.617  0.00  0.00    +0.085 A 
ATOM     12  N   LIG    1        6.364  -0.272  -0.037  0.00  0.00    -0.355 N 
ATOM     13  H   LIG    1        7.203   0.169  -0.394  0.00  0.00    +0.166 HD
ATOM     14  N   LIG    1        2.881  -0.398   0.541  0.00  0.00    -0.214 NA
ENDBRANCH   1   3
BRANCH   1  20
ATOM     15  C   LIG    1       -1.410  -2.982  -1.329  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1       -1.418  -1.671  -0.684  0.00  0.00    -0.303 NA
ATOM     17  C   LIG    1       -2.068  -1.723   0.633  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -2.266  -0.303   1.230  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1       -1.213   0.703   0.722  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1        0.123  -0.000   0.471  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -0.045  -1.132  -0.580  0.00  0.00    +0.106 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -3.666   0.258   1.034  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -4.289   0.251  -0.224  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.569   0.783  -0.387  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.241   1.334   0.701  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.632   1.357   1.954  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.351   0.824   2.119  0.00  0.00    +0.004 A 
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 3