REMARK  Name = BDB000680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.734   0.047   0.149  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.895   0.162   1.616  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1       -0.074   0.154   2.372  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        2.185   0.281   2.120  0.00  0.00    -0.422 OA
ATOM      5  C   LIG    1        3.305   0.292   1.272  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        3.152   0.184  -0.104  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        4.290   0.200  -0.913  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        5.558   0.322  -0.335  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.692   0.430   1.051  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.560   0.415   1.863  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        1.813   0.059  -0.653  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1       -0.669  -0.178  -1.746  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -0.607  -0.087  -0.522  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1       -1.688  -0.095   0.334  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -1.487  -0.011   1.331  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -3.056  -0.206   0.008  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -3.965  -0.189   1.075  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -5.340  -0.293   0.845  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.819  -0.417  -0.456  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.924  -0.436  -1.522  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.548  -0.331  -1.292  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH   1  13
TORSDOF 2