REMARK  Name = BDB050700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.408   0.242   2.069  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.108   0.860   0.791  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1        1.035   0.168  -0.003  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.495   0.730  -1.198  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        1.008   1.963  -1.627  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.091   2.659  -0.841  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.354   2.113   0.364  0.00  0.00    +0.004 A 
BRANCH   4   8
ATOM      8  O   LIG    1        2.371   0.079  -2.037  0.00  0.00    -0.456 OA
BRANCH   8   9
ATOM      9  C   LIG    1        3.484  -0.497  -1.466  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        4.306   0.183  -0.564  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.438  -0.449  -0.048  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.754  -1.749  -0.444  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.944  -2.417  -1.363  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        3.812  -1.788  -1.881  0.00  0.00    +0.046 A 
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.529  -0.781   1.835  0.00  0.00    +0.285 C 
BRANCH  15  17
ATOM     16  O   LIG    1       -0.750  -2.275   3.599  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1       -1.664  -1.635   3.098  0.00  0.00    +0.346 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.914  -1.634   3.625  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -3.499  -1.060   3.082  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
BRANCH  15  20
ATOM     20  O   LIG    1       -2.794  -0.114   1.666  0.00  0.00    -0.477 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.302   0.091   0.415  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.522   0.777   0.403  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -5.167   1.070  -0.801  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.590   0.676  -2.003  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -5.373   1.036  -3.490  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -3.377  -0.008  -2.005  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -2.734  -0.302  -0.796  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 8