REMARK  Name = BDB008995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.196   0.505  -2.151  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.245   0.521  -1.116  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.584   1.703  -0.741  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        0.889   2.879  -1.443  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.816   2.874  -2.487  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.462   1.692  -2.843  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.400   1.706   0.355  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -1.474   0.799   0.367  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.417   0.787   1.409  0.00  0.00    -0.033 A 
ATOM     10  C   LIG    1       -2.287   1.711   2.452  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -1.229   2.619   2.459  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.295   2.614   1.421  0.00  0.00    +0.008 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -3.563  -0.197   1.385  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -4.541   0.177   0.366  0.00  0.00    -0.309 NA
ATOM     15  H   LIG    1       -4.866   1.125   0.551  0.00  0.00    +0.123 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -5.667  -0.745   0.304  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1       -6.603  -0.393  -0.852  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -7.877  -1.171  -0.537  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -7.903  -1.333   0.984  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -6.618  -0.691   1.500  0.00  0.00    +0.019 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.890  -0.778  -2.547  0.00  0.00    +0.092 C 
BRANCH  21  30
ATOM     22  O   LIG    1        4.802  -3.697   1.722  0.00  0.00    -0.266 OA
ATOM     23  C   LIG    1        4.422  -3.011   0.778  0.00  0.00    +0.268 A 
ATOM     24  C   LIG    1        5.106  -1.748   0.402  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        6.278  -1.344   1.254  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        6.726   0.099   1.012  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.740   0.423  -0.477  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        5.350   0.233  -1.094  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1        4.671  -1.032  -0.649  0.00  0.00    -0.016 A 
ATOM     30  C   LIG    1        3.469  -1.558  -1.370  0.00  0.00    +0.069 A 
ATOM     31  N   LIG    1        2.860  -2.662  -1.051  0.00  0.00    -0.175 NA
ATOM     32  N   LIG    1        3.350  -3.364   0.004  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        2.866  -4.221   0.246  0.00  0.00    +0.192 HD
ENDBRANCH  21  30
ENDBRANCH   1  21
TORSDOF 6