REMARK  Name = BDB060977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.139   1.607   1.015  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.298   0.804   0.105  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        0.464   0.762  -1.040  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        0.295   0.043  -1.729  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.362  -0.228   0.183  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.714   0.124   0.432  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.679  -0.906   0.494  0.00  0.00    +0.072 A 
ATOM      8  N   LIG    1       -4.984  -0.672   0.711  0.00  0.00    -0.255 NA
ATOM      9  C   LIG    1       -5.387   0.605   0.883  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -4.535   1.688   0.842  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.272  -2.223   0.320  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.940  -2.566   0.087  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.187   1.443   0.611  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.979  -1.567   0.019  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1        1.646   1.577  -1.202  0.00  0.00    +0.139 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.885   0.740  -1.015  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        3.589   0.240  -2.119  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.722  -0.555  -1.934  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.157  -0.863  -0.645  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.459  -0.378   0.460  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.328   0.418   0.276  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 3