REMARK  Name = BDB000690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.433   0.289  -1.498  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        5.233  -0.115  -0.692  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1        3.949   0.301  -1.078  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.833  -0.047  -0.312  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        3.016  -0.801   0.840  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1        1.920  -1.170   1.636  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1        0.623  -0.797   1.302  0.00  0.00    +0.350 A 
ATOM      8  C   LIG    1        0.428   0.008   0.076  0.00  0.00    +0.122 A 
ATOM      9  O   LIG    1       -0.325  -1.129   2.010  0.00  0.00    -0.244 OA
ATOM     10  C   LIG    1        4.280  -1.213   1.251  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        1.486   0.356  -0.679  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        5.390  -0.864   0.484  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -0.923   0.478  -0.396  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1       -1.982   0.101   0.404  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -1.748  -0.453   1.227  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -1.007   1.144  -1.425  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.360   0.381   0.235  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -4.275  -0.114   1.193  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1       -3.837  -0.927   2.383  0.00  0.00    +0.045 C 
ATOM     20  C   LIG    1       -5.648   0.154   1.043  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -6.117   0.899  -0.036  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.219   1.386  -0.976  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.852   1.129  -0.841  0.00  0.00    +0.023 A 
ENDBRANCH  14  17
ENDBRANCH   8  13
TORSDOF 2