REMARK  Name = BDB014587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.340  -1.025   2.339  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.750  -0.720   1.857  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.048  -0.868   0.522  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        2.038  -0.776   0.288  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.184  -1.545  -0.435  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.193  -0.872  -0.631  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.093  -1.353   0.376  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.657  -1.183   1.240  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.754  -1.224  -2.037  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.910  -0.458  -2.539  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.125  -0.606  -1.723  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.550   0.632  -0.967  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.416   1.883  -1.594  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -4.889   3.040  -0.970  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.481   2.953   0.289  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.607   1.714   0.921  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.752   1.900  -2.943  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.149   0.555   0.293  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.566   0.923  -2.916  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.904  -0.195   2.714  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.739   0.708   1.982  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.067   0.388   2.138  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        4.655  -0.608   1.346  0.00  0.00    +0.116 A 
ATOM     24  C   LIG    1        6.019  -0.850   1.550  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        6.576  -1.848   0.763  0.00  0.00    +0.122 A 
ATOM     26  N   LIG    1        5.888  -2.562  -0.146  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        4.594  -2.248  -0.262  0.00  0.00    +0.221 A 
ATOM     28  C   LIG    1        6.763  -0.118   2.500  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.149   0.878   3.255  0.00  0.00    +0.004 A 
ATOM     30  N   LIG    1        3.938  -1.307   0.438  0.00  0.00    -0.232 NA
ATOM     31  C   LIG    1        4.796   1.139   3.068  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8