REMARK  Name = BDB047973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.731  -0.442   0.451  0.00  0.00    +0.077 C 
ATOM      2  C   LIG    1       -0.056  -1.717   0.588  0.00  0.00    +0.218 C 
ATOM      3  C   LIG    1       -1.458  -1.204   0.411  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1       -1.421   0.180   0.199  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -2.592   0.891   0.006  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -3.803   0.192   0.021  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.845  -1.198   0.230  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -2.658  -1.908   0.425  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -0.029   0.654   0.227  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.465   2.010  -0.028  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        1.060   2.764   0.990  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.511   4.061   0.736  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.366   4.616  -0.534  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        0.771   3.874  -1.554  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        0.321   2.576  -1.302  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   1  16
ATOM     16  C   LIG    1        2.195  -0.490   0.505  0.00  0.00    +0.338 C 
ATOM     17  O   LIG    1        2.897   0.275   1.142  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        2.622  -1.523  -0.265  0.00  0.00    -0.462 OA
BRANCH  18  20
ATOM     19  C   LIG    1        4.645  -0.835  -1.403  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        4.044  -1.708  -0.317  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   2  21
ATOM     21  N   LIG    1        0.127  -2.333   1.937  0.00  0.00    -0.056 NA
ATOM     22  O   LIG    1        0.515  -3.506   1.866  0.00  0.00    -0.148 OA
ENDBRANCH   2  21
BRANCH   7  23
ATOM     23  O   LIG    1       -5.104  -1.734   0.215  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1       -5.216  -3.126   0.487  0.00  0.00    +0.277 C 
ENDBRANCH   7  23
TORSDOF 6