REMARK  Name = BDB060676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.474   1.025  -2.069  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.556   0.188  -1.670  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.517   0.289  -2.667  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        4.719  -0.399  -2.619  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.892  -1.206  -1.492  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.892  -1.276  -0.515  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1        3.102   1.135  -3.645  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1        2.720  -0.595  -0.573  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        1.870   1.579  -3.275  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.238   1.891  -0.110  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -2.151   1.913  -1.507  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -0.941   1.630  -2.150  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        0.209   1.321  -1.411  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        0.118   1.298  -0.014  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -1.090   1.583   0.631  0.00  0.00    +0.004 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -3.544   2.203   0.587  0.00  0.00    +0.070 C 
BRANCH  16  20
ATOM     17  C   LIG    1       -5.208  -1.094   2.826  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.794   0.061   3.488  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.254   1.126   2.764  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.122   1.046   1.371  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -4.544  -0.121   0.717  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.083  -1.185   1.442  0.00  0.00    +0.000 A 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  C   LIG    1        4.064  -2.117   0.662  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        3.097  -2.323   1.627  0.00  0.00    +0.115 A 
ATOM     25  N   LIG    1        3.639  -3.166   2.549  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1        3.210  -3.531   3.393  0.00  0.00    +0.188 HD
ATOM     27  N   LIG    1        4.899  -3.531   2.263  0.00  0.00    -0.182 NA
ATOM     28  C   LIG    1        5.155  -2.893   1.117  0.00  0.00    +0.144 A 
ENDBRANCH   6  23
TORSDOF 4