REMARK  Name = BDB031545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.000   2.116  -0.322  0.00  0.00    +0.201 C 
ATOM      2  C   LIG    1        0.513   2.044  -0.621  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.793   1.718   0.793  0.00  0.00    -0.291 NA
ATOM      4  C   LIG    1       -0.586   2.090   1.165  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   5
ATOM      5  O   LIG    1       -1.778   0.999  -0.819  0.00  0.00    -0.485 OA
BRANCH   5   9
ATOM      6  C   LIG    1       -5.776   0.500  -0.035  0.00  0.00    +0.126 A 
ATOM      7  N   LIG    1       -5.095  -0.464  -0.716  0.00  0.00    -0.247 NA
ATOM      8  C   LIG    1       -3.781  -0.218  -0.934  0.00  0.00    +0.157 A 
ATOM      9  C   LIG    1       -3.110   0.926  -0.510  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -3.839   1.891   0.179  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -5.196   1.677   0.423  0.00  0.00    +0.036 A 
BRANCH   6  14
ATOM     12  N   LIG    1       -7.681  -0.969  -0.279  0.00  0.00    -0.310 N 
ATOM     13  H   LIG    1       -7.003  -1.520  -0.800  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -7.232   0.240   0.209  0.00  0.00    +0.262 C 
ATOM     15  O   LIG    1       -7.938   1.054   0.792  0.00  0.00    -0.269 OA
BRANCH  12  17
ATOM     16  C   LIG    1       -9.856  -0.803  -1.395  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -9.066  -1.371  -0.230  0.00  0.00    +0.101 C 
ENDBRANCH  12  17
ENDBRANCH   6  14
ENDBRANCH   5   9
ENDBRANCH   1   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.992   0.269   0.970  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.376  -0.174   0.558  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        3.526   0.446   1.064  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.773  -0.015   0.663  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        4.839  -1.086  -0.224  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        6.149  -1.572  -0.645  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        7.279  -1.007  -0.183  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        7.202   0.157   0.761  0.00  0.00    +0.252 A 
ATOM     26  O   LIG    1        8.209   0.715   1.186  0.00  0.00    -0.268 OA
ATOM     27  N   LIG    1        3.755  -1.714  -0.725  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1        5.951   0.578   1.132  0.00  0.00    -0.321 N 
ATOM     29  H   LIG    1        5.915   1.363   1.768  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1        2.551  -1.244  -0.321  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1        8.649  -1.466  -0.600  0.00  0.00    +0.037 C 
ATOM     32  C   LIG    1        9.328  -2.307   0.472  0.00  0.00    +0.009 C 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7