REMARK  Name = BDB052273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.470   0.643   0.648  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -2.502  -0.281   0.324  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -2.138  -1.609   0.045  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -0.775  -1.940  -0.002  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.246  -1.022   0.206  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.453  -1.767   0.025  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1        1.194  -3.060  -0.219  0.00  0.00    -0.173 NA
ATOM      8  N   LIG    1       -0.144  -3.126  -0.252  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -0.574  -4.022  -0.448  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.111   0.299   0.532  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1       -3.840   0.146   0.321  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -4.175   1.144  -0.719  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -5.585   0.770  -1.181  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -6.155   0.012   0.005  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -4.949  -0.799   0.464  0.00  0.00    +0.105 C 
ENDBRANCH   2  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.796   1.992   0.954  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1       -2.744   1.997   1.333  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -1.131   2.413   1.593  0.00  0.00    +0.142 HD
ENDBRANCH   1  16
BRANCH   6  19
ATOM     19  C   LIG    1        2.802  -1.289   0.112  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        3.239  -0.065  -0.229  0.00  0.00    +0.010 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.641   0.363  -0.133  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        4.922   1.679   0.259  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.241   2.133   0.336  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.292   1.279   0.011  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.026  -0.026  -0.397  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.707  -0.481  -0.474  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH   6  19
TORSDOF 4