REMARK  Name = BDB047962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.880  -1.817   0.023  0.00  0.00    -0.083 NA
ATOM      2  C   LIG    1       -1.627  -0.561   0.210  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -2.660   0.442   0.381  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.980   1.653   0.352  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -2.687   2.836   0.453  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.081   2.771   0.573  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.750   1.532   0.590  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.586   1.520   0.247  0.00  0.00    -0.244 NA
ATOM      9  C   LIG    1       -4.034   0.338   0.488  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -0.333   0.232   0.216  0.00  0.00    +0.106 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.042  -0.214   0.290  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1        2.194   0.443  -0.271  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.324  -0.282   0.109  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.623   0.074  -0.272  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.776   1.212  -1.068  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.672   1.964  -1.461  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        2.884  -1.323   0.888  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        3.474  -2.016   1.322  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        2.380   1.592  -1.070  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        1.521  -1.307   0.995  0.00  0.00    +0.201 A 
BRANCH  20  21
ATOM     21  O   LIG    1        0.935  -2.259   1.712  0.00  0.00    -0.493 OA
ATOM     22  H   LIG    1       -0.005  -2.291   1.440  0.00  0.00    +0.294 HD
ENDBRANCH  20  21
ENDBRANCH  10  11
BRANCH   1  24
ATOM     23  C   LIG    1       -1.147  -3.848  -0.739  0.00  0.00    +0.313 C 
ATOM     24  O   LIG    1       -0.748  -2.540  -0.343  0.00  0.00    -0.397 OA
ENDBRANCH   1  24
TORSDOF 3