REMARK  Name = BDB050326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.407  -1.468  -1.026  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.242  -1.211  -0.289  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.058  -0.828  -0.933  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -0.041  -0.697  -2.326  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.198  -0.950  -3.065  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.375  -1.332  -2.420  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.149  -0.558  -0.120  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1        2.484  -0.328  -0.741  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        3.331  -0.546   0.494  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        2.463  -0.196   1.584  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        1.135  -0.473   1.174  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1        4.600   0.275   0.479  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        5.757  -0.242  -0.124  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        6.934   0.509  -0.171  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        6.962   1.788   0.382  0.00  0.00    +0.013 A 
ATOM     16  I   LIG    1        8.711   2.908   0.312  0.00  0.00    -0.044 I 
ATOM     17  C   LIG    1        5.821   2.321   0.979  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.645   1.568   1.025  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.691  -1.859  -0.323  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.489  -0.637   0.163  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.938  -1.069   0.432  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -6.535  -1.996  -0.094  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -6.594  -0.274   1.305  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -7.480  -0.684   1.384  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -3.849  -0.135   1.342  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -2.799   1.965   0.742  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -3.928   1.281   1.492  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8