REMARK  Name = BDB013802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.139  -0.055   0.547  0.00  0.00    +0.155 A 
ATOM      2  N   LIG    1        2.230  -1.219   1.249  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        3.454  -1.698   1.549  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1        4.625  -1.070   1.183  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        4.527   0.120   0.466  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1        3.270   0.642   0.140  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.315   0.505   0.172  0.00  0.00    +0.063 A 
ATOM      8  N   LIG    1       -0.290  -0.223   0.623  0.00  0.00    -0.170 NA
ATOM      9  N   LIG    1        0.829   0.446   0.233  0.00  0.00    -0.222 N 
ATOM     10  C   LIG    1        0.495   1.594  -0.461  0.00  0.00    +0.116 A 
ATOM     11  C   LIG    1       -0.877   1.655  -0.513  0.00  0.00    +0.045 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -2.720   0.063   0.420  0.00  0.00    +0.057 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.245  -0.835  -0.704  0.00  0.00    +0.006 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.725  -0.331  -0.379  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -4.641  -1.397  -0.428  0.00  0.00    -0.003 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  16
ATOM     16  C   LIG    1        5.783   0.798   0.071  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        6.909   0.409   0.317  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.567   1.935  -0.614  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        6.469   2.268  -0.806  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 6