REMARK  Name = BDB055416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.591   2.604  -1.346  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.153   1.336  -1.514  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -1.304   1.507  -2.435  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1       -2.681   1.647  -1.749  0.00  0.00    +0.122 C 
ATOM      5  N   LIG    1       -2.971   0.467  -0.920  0.00  0.00    -0.311 N 
ATOM      6  C   LIG    1       -1.804  -0.185  -0.309  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -0.603   0.785  -0.213  0.00  0.00    +0.103 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.213   0.347  -0.373  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -4.758  -0.845   0.212  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -6.033  -0.486   0.638  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -6.910  -1.367   1.281  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.465  -2.676   1.484  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.203  -3.080   1.052  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -6.171   0.822   0.274  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1       -6.979   1.416   0.414  0.00  0.00    +0.189 HD
ATOM     16  C   LIG    1       -4.343  -2.179   0.411  0.00  0.00    +0.013 A 
ATOM     17  N   LIG    1       -5.108   1.342  -0.351  0.00  0.00    -0.158 NA
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.903   2.447  -0.545  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.687   1.347  -1.093  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1        2.065   0.643  -1.500  0.00  0.00    +0.149 HD
BRANCH  19  29
ATOM     21  O   LIG    1        6.443   1.798   1.551  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        5.652   1.056   0.979  0.00  0.00    +0.260 A 
ATOM     23  C   LIG    1        5.790  -0.408   1.004  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        4.845  -1.149   0.293  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1        4.954  -2.542   0.295  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.986  -3.175   0.995  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.922  -2.418   1.701  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1        3.795  -0.550  -0.421  0.00  0.00    -0.216 NA
ATOM     29  C   LIG    1        3.696   0.743  -0.408  0.00  0.00    +0.196 A 
ATOM     30  C   LIG    1        6.828  -1.028   1.708  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        4.580   1.534   0.270  0.00  0.00    -0.295 N 
ATOM     32  H   LIG    1        4.506   2.534   0.200  0.00  0.00    +0.172 HD
ENDBRANCH  19  29
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5