REMARK  Name = BDB053108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.919   1.636   2.441  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.290   1.375   1.434  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.334   0.223   0.671  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.575   0.268  -0.459  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -1.203   1.629  -0.319  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.144   2.271  -1.111  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.554   3.557  -0.742  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.025   4.186   0.399  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.073   3.541   1.190  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.684   2.272   0.804  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.593  -0.867  -0.468  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.765  -1.684  -1.601  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.701  -2.722  -1.605  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.480  -2.958  -0.475  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -4.630  -4.236  -0.480  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.332  -2.163   0.657  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.397  -1.124   0.661  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1        0.207   0.291  -1.637  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        1.072   0.623  -1.345  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        1.170  -0.919   0.996  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.464  -0.921   0.219  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.491  -0.025   0.552  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.681  -0.005  -0.179  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        4.847  -0.879  -1.252  0.00  0.00    +0.013 A 
ATOM     25  I   LIG    1        6.615  -0.848  -2.345  0.00  0.00    -0.044 I 
ATOM     26  C   LIG    1        3.834  -1.771  -1.599  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        2.645  -1.791  -0.865  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4