REMARK  Name = BDB031520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.236  -2.139  -1.037  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.046  -2.156   0.428  0.00  0.00    +0.058 C 
ATOM      3  C   LIG    1        0.151  -3.592   0.951  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -1.339  -1.561   0.668  0.00  0.00    +0.064 C 
ATOM      5  C   LIG    1       -2.140  -1.854  -0.601  0.00  0.00    +0.189 C 
ATOM      6  C   LIG    1       -1.107  -2.408  -1.593  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.741  -0.841  -1.523  0.00  0.00    +0.121 C 
BRANCH   7  17
ATOM      8  C   LIG    1        6.675   1.061   0.382  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.694   2.131   0.761  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1        6.044   3.162   1.326  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1        4.377   1.909   0.450  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1        3.731   2.640   0.715  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        3.928   0.757  -0.204  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        4.837  -0.233  -0.571  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1        4.492  -1.371  -1.206  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        3.174  -1.526  -1.481  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        2.184  -0.597  -1.155  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        2.583   0.576  -0.503  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        6.249  -0.043  -0.258  0.00  0.00    +0.038 A 
BRANCH   8  21
ATOM     20  C   LIG    1        8.431   1.048   2.180  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        8.122   1.305   0.712  0.00  0.00    +0.037 C 
ENDBRANCH   8  21
ENDBRANCH   7  17
ENDBRANCH   1   7
BRANCH   5  22
ATOM     22  O   LIG    1       -2.691  -0.650  -1.147  0.00  0.00    -0.486 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.867  -0.182  -0.640  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -4.393   0.942  -1.273  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1       -5.544   1.563  -0.919  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1       -6.210   1.023   0.139  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1       -5.769  -0.094   0.837  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -4.577  -0.703   0.438  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.487   1.699   0.539  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -7.795   2.815  -0.208  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -7.184   3.003  -1.000  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -9.037   3.523  -0.062  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -8.181   1.265   1.451  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6