REMARK  Name = BDB001663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.570   2.042   2.446  0.00  0.00    +0.138 C 
ATOM      2  N   LIG    1       -2.241   1.037   1.472  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -3.173   0.166   0.888  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.549  -0.692  -0.017  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.235  -1.653  -0.734  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -4.611  -1.743  -0.520  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.255  -0.882   0.391  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.131  -0.355  -0.018  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1       -0.237  -0.947  -0.741  0.00  0.00    -0.069 NA
ATOM     10  C   LIG    1       -4.535   0.084   1.106  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -0.965   0.799   0.985  0.00  0.00    +0.273 C 
ATOM     12  O   LIG    1        0.075   1.357   1.264  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   9  13
ATOM     13  O   LIG    1        1.034  -0.395  -0.517  0.00  0.00    -0.311 OA
BRANCH  13  14
ATOM     14  C   LIG    1        1.975  -1.021  -1.282  0.00  0.00    +0.366 C 
ATOM     15  O   LIG    1        1.805  -1.940  -2.072  0.00  0.00    -0.243 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.312  -0.415  -1.023  0.00  0.00    +0.061 A 
ATOM     17  C   LIG    1        3.506   0.639  -0.117  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.785   1.166   0.083  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.874   0.648  -0.616  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.690  -0.399  -1.518  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.414  -0.929  -1.721  0.00  0.00    +0.015 A 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 3