REMARK  Name = BDB002718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.917   0.090   0.393  0.00  0.00    +0.193 C 
ATOM      2  N   LIG    1       -1.688  -0.620  -0.639  0.00  0.00    -0.306 N 
ATOM      3  C   LIG    1       -2.270   0.342  -1.562  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1       -2.417   1.605  -0.711  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -1.369   1.494   0.306  0.00  0.00    -0.306 N 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.362  -0.275  -0.365  0.00  0.00    +0.161 A 
ATOM      7  C   LIG    1        2.563   0.560  -1.152  0.00  0.00    +0.159 A 
ATOM      8  C   LIG    1        1.198   0.695  -0.922  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        0.584  -0.015   0.123  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        1.391  -0.853   0.915  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.767  -0.983   0.676  0.00  0.00    +0.050 A 
BRANCH   6  13
ATOM     12  C   LIG    1        5.526  -1.163   0.053  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.689  -0.305  -0.713  0.00  0.00    -0.491 OA
ENDBRANCH   6  13
BRANCH   7  14
ATOM     14  O   LIG    1        3.118   1.270  -2.183  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1        4.066   1.035  -2.164  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1       -1.655  -1.974  -0.876  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -1.374  -2.898   0.143  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -1.348  -4.279  -0.090  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -1.611  -4.777  -1.360  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.904  -3.892  -2.389  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.929  -2.513  -2.143  0.00  0.00    +0.023 A 
ENDBRANCH   2  16
BRANCH   5  22
ATOM     22  C   LIG    1       -1.298   2.388   1.363  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1       -0.495   2.159   2.492  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -0.414   3.072   3.552  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -1.133   4.259   3.507  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.922   4.531   2.398  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -1.994   3.610   1.344  0.00  0.00    +0.023 A 
ENDBRANCH   5  22
TORSDOF 5