REMARK  Name = BDB017248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.115   1.509  -1.046  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.184   2.192  -2.066  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.219   0.914  -0.691  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.419   0.070   0.410  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.692  -0.459   0.697  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.787  -0.140  -0.137  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        5.060  -0.668   0.152  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.254  -1.504   1.253  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        4.170  -1.814   2.073  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.581   0.703  -1.238  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.900  -1.298   1.801  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.313   1.223  -1.510  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.436  -2.078   1.632  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.585  -1.768   0.852  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -2.405   2.358  -0.117  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.331   1.239  -0.159  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.929  -0.138  -0.474  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -2.947  -0.496   0.526  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -4.054   0.470   0.517  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.566   1.895   0.790  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.426  -1.878   0.342  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -2.635  -3.006   0.948  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -3.968  -2.633   1.525  0.00  0.00    +0.020 C 
ENDBRANCH  18  21
BRANCH  15  25
ATOM     24  C   LIG    1       -3.380   2.072  -2.554  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -2.911   2.987  -1.437  0.00  0.00    +0.001 C 
ENDBRANCH  15  25
ENDBRANCH   1  16
TORSDOF 5