REMARK  Name = BDB063253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.551   0.691  -0.552  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.475  -0.025  -0.143  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.742   0.471  -0.426  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        0.901   1.624  -1.106  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1       -0.180   2.325  -1.550  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.403   1.849  -1.276  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.029   0.893   0.003  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -2.849   0.187  -0.248  0.00  0.00    -0.279 N 
ATOM      9  C   LIG    1       -3.168  -1.165  -0.118  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -4.544  -1.189   0.081  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -5.215  -2.415   0.210  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.480  -3.602   0.132  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.103  -3.568  -0.077  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -2.421  -2.353  -0.212  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -5.056   0.074   0.128  0.00  0.00    -0.232 NA
BRANCH   7  17
ATOM     16  C   LIG    1       -3.479   2.789   1.553  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -4.162   2.364   0.263  0.00  0.00    +0.071 C 
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  N   LIG    1        1.810  -0.289   0.041  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        1.457  -1.092   0.540  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.201  -0.158  -0.037  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.853   0.881  -0.707  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        5.252   0.955  -0.747  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        6.036  -0.017  -0.122  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1        7.532   0.083  -0.136  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        5.398  -1.052   0.565  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.000  -1.120   0.600  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4