REMARK  Name = BDB046645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.303   0.055  -0.250  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.903   0.168  -0.167  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.264   1.107  -0.973  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.934   0.973  -0.666  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.183   1.506  -1.077  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.787  -0.020   0.275  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.936   1.949  -1.864  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.327   1.820  -1.931  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.971  -0.526   0.571  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -6.005   0.891  -1.140  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.503  -0.452   0.839  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        0.707   0.197   0.552  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        1.926  -0.253   1.095  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        1.920  -1.358   1.956  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        0.725  -2.007   2.258  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -0.475  -1.556   1.703  0.00  0.00    +0.011 A 
BRANCH  13  17
ATOM     17  C   LIG    1        3.220   0.472   0.785  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.430   0.696  -0.657  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1        4.569   1.611  -0.896  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        5.949   0.975  -0.659  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1        6.118  -0.212  -1.442  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1        5.084  -1.163  -1.156  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1        3.689  -0.562  -1.397  0.00  0.00    +0.113 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -7.003  -1.642  -0.040  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -7.392  -2.403   0.503  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -7.011  -1.734  -1.046  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -6.030  -0.913   0.593  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -5.808  -1.064   1.785  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4