REMARK  Name = BDB060958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.454   1.411  -0.304  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -1.071   1.580  -0.312  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -0.225   0.475  -0.216  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1       -0.751  -0.814  -0.110  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        0.216  -1.936  -0.011  0.00  0.00    +0.197 A 
ATOM      6  C   LIG    1        1.647  -1.581  -0.035  0.00  0.00    +0.098 A 
ATOM      7  C   LIG    1        2.014  -0.299  -0.150  0.00  0.00    +0.141 A 
ATOM      8  O   LIG    1       -0.091  -3.116   0.087  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1       -2.147  -0.998  -0.100  0.00  0.00    +0.138 A 
ATOM     10  O   LIG    1        1.120   0.752  -0.234  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1       -2.987   0.124  -0.198  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        3.430   0.110  -0.175  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        3.846   1.289   0.444  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1        5.124   1.744   0.461  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        6.042   0.993  -0.179  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.742  -0.188  -0.836  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.419  -0.630  -0.835  0.00  0.00    +0.014 A 
ENDBRANCH   7  12
BRANCH   1  19
ATOM     18  C   LIG    1       -4.585   2.472  -0.401  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.166   2.574  -0.405  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
BRANCH   9  20
ATOM     20  O   LIG    1       -2.612  -2.281   0.004  0.00  0.00    -0.494 OA
ATOM     21  C   LIG    1       -4.014  -2.503   0.040  0.00  0.00    +0.277 C 
ENDBRANCH   9  20
TORSDOF 3