REMARK  Name = BDB000677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -7.102   0.660  -1.505  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -6.003   0.307  -0.546  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -4.663   0.563  -0.880  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -3.639   0.264   0.023  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -3.969  -0.279   1.258  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1       -2.969  -0.592   2.193  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1       -1.622  -0.375   1.920  0.00  0.00    +0.350 A 
ATOM      8  C   LIG    1       -1.276   0.210   0.604  0.00  0.00    +0.122 A 
ATOM      9  O   LIG    1       -0.762  -0.665   2.748  0.00  0.00    -0.244 OA
ATOM     10  C   LIG    1       -5.290  -0.528   1.618  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -2.240   0.507  -0.285  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -6.308  -0.229   0.714  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        0.131   0.502   0.185  0.00  0.00    +0.251 C 
ATOM     14  N   LIG    1        1.105   0.244   1.116  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        0.840  -0.166   2.012  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        0.392   0.942  -0.933  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.515   0.438   0.840  0.00  0.00    +0.109 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.110  -0.724   0.041  0.00  0.00    +0.054 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.585  -0.533  -0.206  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        5.532  -1.087   0.665  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        6.896  -0.891   0.442  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.324  -0.138  -0.649  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.390   0.421  -1.519  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.026   0.226  -1.298  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   8  13
TORSDOF 4