REMARK  Name = BDB046394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.342  -0.595  -0.731  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -2.266  -1.189  -0.058  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.930  -0.891  -0.394  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.668   0.018  -1.440  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.749   0.604  -2.115  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.069   0.301  -1.765  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.123  -1.592   0.419  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.431  -1.232   0.213  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.640  -0.596  -0.549  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -0.195  -2.450   1.237  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.518  -1.921   0.861  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.827  -1.237   0.570  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.604  -1.622  -0.529  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        5.801  -0.960  -0.812  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        6.239   0.098  -0.012  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.462   0.494   1.077  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.262  -0.167   1.363  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  O   LIG    1        7.424   0.657  -0.402  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1        7.939   1.702   0.413  0.00  0.00    +0.277 C 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  20
ATOM     20  O   LIG    1        0.642   0.279  -1.752  0.00  0.00    -0.494 OA
ATOM     21  C   LIG    1        0.915   1.200  -2.802  0.00  0.00    +0.277 C 
ENDBRANCH   4  20
BRANCH   1  22
ATOM     22  C   LIG    1       -4.762  -0.927  -0.349  0.00  0.00    +0.049 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.196  -0.414   1.036  0.00  0.00    +0.102 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.019   1.770   1.669  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.296   1.119   1.155  0.00  0.00    +0.011 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -6.526  -1.067   1.374  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1       -6.642  -1.982   2.176  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -7.585  -0.585   0.686  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1       -7.381   0.143   0.071  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 10