REMARK  Name = BDB063494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.752  -3.354   1.328  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.031  -2.616   0.665  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.110  -1.153   0.796  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -1.268  -0.354   0.022  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -1.346   1.038   0.143  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -2.258   1.611   1.034  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.089   0.800   1.798  0.00  0.00    +0.118 A 
ATOM      8  C   LIG    1       -0.331  -1.050  -0.898  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1       -0.277  -2.346  -1.003  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -3.026  -0.583   1.690  0.00  0.00    +0.059 A 
ATOM     11  N   LIG    1       -1.113  -3.095  -0.236  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1       -1.044  -4.103  -0.341  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  13
ATOM     13  O   LIG    1       -3.960   1.408   2.650  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -4.466   0.727   3.126  0.00  0.00    +0.292 HD
ENDBRANCH   7  13
BRANCH   8  15
ATOM     15  C   LIG    1        0.625  -0.243  -1.768  0.00  0.00    +0.093 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.801   0.331  -1.011  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1        2.560  -0.466  -0.142  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.653   0.070   0.540  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.008   1.403   0.352  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.276   2.200  -0.525  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.182   1.666  -1.208  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 3