REMARK  Name = BDB046988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.560  -0.217   0.456  0.00  0.00    +0.006 A 
ATOM      2  C   LIG    1        0.707   0.829  -0.023  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.623   0.383   0.061  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.703   1.202  -0.333  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.140   0.833  -0.259  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -3.548  -0.470  -0.154  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -4.557  -0.559  -0.202  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -2.743  -1.663  -0.290  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -1.696  -1.774   0.803  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -4.005   1.706  -0.307  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.398   2.493  -0.809  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -0.088   2.947  -0.907  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.564  -0.896   0.570  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1        0.967   2.125  -0.519  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        0.732  -1.262   0.813  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        3.720  -0.815  -0.669  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1        3.057  -0.188   0.550  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.516  -0.884   1.710  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1        2.983  -0.547   2.451  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 2