REMARK  Name = BDB047620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.081   2.087  -0.733  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.905   1.351  -1.370  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.108   0.631  -0.392  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.571   1.269   0.195  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.563  -0.478   0.335  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.640  -1.316  -0.037  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.006  -2.394   0.797  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.303  -2.699   1.956  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.205  -1.930   2.301  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.456  -1.206  -1.181  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.253  -1.829  -1.232  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.388  -0.443  -2.296  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.282  -0.564  -3.140  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.813  -0.835   1.508  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.234   0.469  -2.548  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.616  -0.082   1.941  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        0.584  -0.168   1.211  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        1.717   0.546   1.608  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        1.653   1.349   2.749  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        0.473   1.443   3.486  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -0.656   0.731   3.084  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  O   LIG    1        2.930   0.548   0.978  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.048  -0.237  -0.208  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.457  -0.118  -0.741  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        4.689   0.220  -2.082  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        5.992   0.303  -2.577  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.076   0.045  -1.739  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.859  -0.297  -0.406  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.557  -0.381   0.090  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 4