REMARK  Name = BDB054737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.926   1.573  -1.115  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1       -4.019   1.414  -0.292  0.00  0.00    +0.347 A 
ATOM      3  O   LIG    1       -5.177   1.719  -0.533  0.00  0.00    -0.245 OA
ATOM      4  N   LIG    1       -3.531   0.797   0.860  0.00  0.00    -0.206 N 
ATOM      5  N   LIG    1       -2.206   0.466   0.687  0.00  0.00    -0.153 NA
ATOM      6  C   LIG    1       -1.916   0.932  -0.494  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.363   0.246   1.917  0.00  0.00    +0.139 C 
ATOM      8  C   LIG    1       -3.670   0.303   3.281  0.00  0.00    +0.038 C 
BRANCH   7   9
ATOM      9  C   LIG    1       -4.850  -1.154   1.564  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1       -3.985  -2.260   1.577  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.449  -3.533   1.242  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.781  -3.718   0.881  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.649  -2.629   0.847  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.186  -1.355   1.182  0.00  0.00    +0.006 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  C   LIG    1       -3.016   2.077  -2.476  0.00  0.00    +0.128 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.565   4.526  -1.945  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -3.518   3.521  -2.572  0.00  0.00    +0.018 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  C   LIG    1       -0.544   0.773  -1.088  0.00  0.00    +0.077 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.297   2.024  -0.842  0.00  0.00    +0.012 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.676   1.959  -1.506  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.574   0.884  -0.944  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        3.087   0.993   0.356  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.910  -0.006   0.878  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.251  -1.104   0.094  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1        3.716  -1.246  -1.184  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        2.893  -0.247  -1.708  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  O   LIG    1        5.002  -2.112   0.627  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.439  -2.011   0.441  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1        7.043  -0.799   1.157  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        6.851  -2.069  -1.034  0.00  0.00    +0.067 C 
BRANCH  28  31
ATOM     31  C   LIG    1        7.008  -3.272   1.123  0.00  0.00    +0.348 C 
ATOM     32  O   LIG    1        8.196  -3.561   1.173  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        6.055  -4.062   1.681  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        5.171  -3.656   1.530  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 12