REMARK  Name = BDB048963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.053   0.829   0.265  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        2.284  -0.378   0.332  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        3.022  -1.583   0.238  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        2.363  -2.816   0.139  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.973  -2.890   0.115  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        0.204  -1.736   0.269  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -1.286  -1.784   0.215  0.00  0.00    +0.202 C 
ATOM      8  O   LIG    1       -1.935  -2.824   0.202  0.00  0.00    -0.286 OA
ATOM      9  C   LIG    1       -2.043  -0.522   0.123  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -1.396   0.678   0.429  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -2.075   1.901   0.376  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -3.405   1.869  -0.005  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -4.325   2.986  -0.164  0.00  0.00    +0.340 C 
ATOM     14  O   LIG    1       -4.070   4.160   0.007  0.00  0.00    -0.245 OA
ATOM     15  O   LIG    1       -5.518   2.454  -0.560  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1       -5.475   1.008  -0.655  0.00  0.00    +0.208 C 
ATOM     17  C   LIG    1       -6.504   0.430   0.302  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1       -4.070   0.697  -0.301  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        0.001   0.632   0.876  0.00  0.00    +0.195 C 
ATOM     20  O   LIG    1        0.381   1.474   1.676  0.00  0.00    -0.287 OA
ATOM     21  C   LIG    1       -3.401  -0.511  -0.239  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1        4.428  -1.571   0.232  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        5.163  -0.381   0.292  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1        6.665  -0.440   0.313  0.00  0.00    +0.045 C 
ATOM     25  C   LIG    1        0.856  -0.502   0.444  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        4.463   0.828   0.296  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1        5.333   2.330   0.315  0.00  0.00    -0.079 Cl
ENDROOT
BRANCH   1  29
ATOM     28  C   LIG    1        2.204   2.369  -1.236  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        2.414   2.042   0.138  0.00  0.00    -0.493 OA
ENDBRANCH   1  29
BRANCH  21  30
ATOM     30  O   LIG    1       -4.098  -1.644  -0.543  0.00  0.00    -0.506 OA
ATOM     31  H   LIG    1       -3.523  -2.421  -0.343  0.00  0.00    +0.292 HD
ENDBRANCH  21  30
BRANCH   5  32
ATOM     32  O   LIG    1        0.387  -4.109  -0.065  0.00  0.00    -0.506 OA
ATOM     33  H   LIG    1        1.050  -4.818  -0.069  0.00  0.00    +0.292 HD
ENDBRANCH   5  32
TORSDOF 3