REMARK  Name = BDB048960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.614   0.318   0.531  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -2.659   1.054   1.256  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.315   1.110   0.847  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.306   1.886   1.594  0.00  0.00    +0.202 C 
ATOM      5  C   LIG    1        1.141   1.627   1.343  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.525   0.825   0.254  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        0.468   0.545  -0.750  0.00  0.00    +0.195 C 
ATOM      8  O   LIG    1        0.695   0.505  -1.951  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1        2.887   0.404   0.065  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        3.858   0.996   0.909  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1        5.227   0.729   0.733  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.694  -0.144  -0.256  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1        4.755  -0.811  -1.047  0.00  0.00    +0.086 A 
ATOM     14 CL   LIG    1        5.286  -1.945  -2.250  0.00  0.00    -0.079 Cl
ATOM     15  C   LIG    1        7.174  -0.362  -0.411  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1        3.471   1.854   1.947  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        3.377  -0.578  -0.855  0.00  0.00    +0.147 A 
ATOM     18  C   LIG    1        2.128   2.136   2.187  0.00  0.00    +0.129 A 
ATOM     19  O   LIG    1       -0.718   2.692   2.422  0.00  0.00    -0.286 OA
ATOM     20  C   LIG    1       -0.922   0.434  -0.299  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -1.846  -0.296  -1.049  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -3.181  -0.352  -0.632  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1       -5.222  -0.968   1.970  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -5.039   0.214   1.029  0.00  0.00    +0.036 C 
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  O   LIG    1       -3.085   1.706   2.387  0.00  0.00    -0.506 OA
ATOM     26  H   LIG    1       -2.352   2.279   2.712  0.00  0.00    +0.292 HD
ENDBRANCH   2  25
BRANCH  17  27
ATOM     27  O   LIG    1        2.490  -1.354  -1.569  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1        2.137  -2.530  -0.839  0.00  0.00    +0.277 C 
ENDBRANCH  17  27
BRANCH  18  29
ATOM     29  O   LIG    1        1.806   2.913   3.261  0.00  0.00    -0.506 OA
ATOM     30  H   LIG    1        2.603   3.255   3.697  0.00  0.00    +0.292 HD
ENDBRANCH  18  29
BRANCH  22  31
ATOM     31  C   LIG    1       -4.089  -1.173  -1.450  0.00  0.00    +0.339 C 
ATOM     32  O   LIG    1       -4.037  -2.389  -1.502  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -4.904  -0.346  -2.144  0.00  0.00    -0.464 OA
ATOM     34  C   LIG    1       -5.808  -1.029  -3.012  0.00  0.00    +0.280 C 
ENDBRANCH  31  33
ENDBRANCH  22  31
TORSDOF 6