REMARK  Name = BDB021662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.721  -0.520  -1.926  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.219  -0.361  -1.583  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1        0.600   0.601  -2.058  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.536  -1.372  -0.951  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1        1.046  -2.448  -0.133  0.00  0.00    +0.145 C 
ATOM      6  C   LIG    1       -0.189  -3.228   0.349  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.353  -2.666  -0.464  0.00  0.00    +0.035 C 
ATOM      8  N   LIG    1        2.012  -3.269  -0.839  0.00  0.00    -0.298 NA
ATOM      9  H   LIG    1        2.141  -4.142  -0.326  0.00  0.00    +0.124 HD
ATOM     10  C   LIG    1        1.764  -3.545  -2.246  0.00  0.00    +0.082 C 
ATOM     11  C   LIG    1        2.874  -2.904  -3.081  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -0.904  -1.244  -0.775  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1        2.854  -1.371  -3.207  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        4.051  -0.280   0.213  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        3.588  -0.995  -0.857  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        3.457  -1.977  -0.621  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        4.347  -0.908   1.233  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        4.189   1.260   0.099  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        5.316   1.641  -0.861  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        5.636   1.807   2.035  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        4.307   1.885   1.442  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        3.656   1.393   2.060  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  C   LIG    1       -1.257  -0.304   0.399  0.00  0.00    +0.234 C 
ATOM     24  N   LIG    1       -2.527   0.225   0.327  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1       -3.121   0.018  -0.465  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -0.502  -0.106   1.348  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -3.061   1.097   1.363  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -4.091   2.052   0.777  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -5.320   2.297   1.420  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.240   3.187   0.842  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.934   3.860  -0.339  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.704   3.655  -0.956  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.693   1.602   2.706  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -4.479   1.057   3.451  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -3.788   2.763  -0.399  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1       -3.617   0.233   2.506  0.00  0.00    +0.027 C 
ENDBRANCH  24  27
ENDBRANCH  12  23
TORSDOF 5