REMARK  Name = BDB047897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110   0.421   0.118  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1       -0.750  -0.605  -0.025  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1       -2.067  -0.339  -0.144  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.546   0.970  -0.121  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -3.928   1.248  -0.245  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.844   0.212  -0.393  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -4.388  -1.101  -0.419  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.563   1.936   0.031  0.00  0.00    +0.224 A 
ATOM      9  C   LIG    1       -3.018  -1.360  -0.295  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1       -0.252   1.714   0.151  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.322  -0.528   0.444  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.367  -1.539   0.359  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.005  -1.231   0.240  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.547   0.099   0.245  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        2.520   1.103   0.395  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        3.882   0.793   0.513  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  N   LIG    1        5.665  -0.840   0.679  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        5.944  -1.745   0.312  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        6.310  -0.102   0.415  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   8  20
ATOM     20  O   LIG    1       -1.879   3.260   0.071  0.00  0.00    -0.492 OA
ATOM     21  H   LIG    1       -0.993   3.647   0.185  0.00  0.00    +0.294 HD
ENDBRANCH   8  20
BRANCH   9  22
ATOM     22  O   LIG    1       -2.586  -2.667  -0.323  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1       -3.348  -3.257  -0.425  0.00  0.00    +0.292 HD
ENDBRANCH   9  22
TORSDOF 4