REMARK  Name = BDB017422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.571   0.574   0.330  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1        2.054   0.588  -0.974  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.881  -0.110  -1.282  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1        0.218  -0.058  -3.271  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1        0.198  -0.819  -0.283  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1        0.735  -0.871   1.011  0.00  0.00    +0.057 A 
ATOM      7  I   LIG    1       -0.150  -1.990   2.548  0.00  0.00    -0.040 I 
ATOM      8  C   LIG    1        1.909  -0.172   1.316  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        3.850   1.310   0.655  0.00  0.00    +0.155 C 
BRANCH   9  11
ATOM     10  O   LIG    1        5.178  -0.675   0.080  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1        5.096   0.480   0.459  0.00  0.00    +0.309 C 
BRANCH  11  12
ATOM     12  O   LIG    1        6.213   1.175   0.760  0.00  0.00    -0.480 OA
ATOM     13  H   LIG    1        6.940   0.538   0.594  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   5  14
ATOM     14  O   LIG    1       -0.942  -1.524  -0.589  0.00  0.00    -0.454 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.163  -0.889  -0.456  0.00  0.00    +0.131 A 
ATOM     16  C   LIG    1       -2.353   0.428  -0.031  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1       -3.648   0.948   0.060  0.00  0.00    +0.059 A 
ATOM     18  I   LIG    1       -3.876   2.927   0.702  0.00  0.00    -0.040 I 
ATOM     19  C   LIG    1       -4.757   0.160  -0.272  0.00  0.00    +0.143 A 
ATOM     20  C   LIG    1       -4.561  -1.157  -0.697  0.00  0.00    +0.059 A 
ATOM     21  I   LIG    1       -6.161  -2.404  -1.212  0.00  0.00    -0.040 I 
ATOM     22  C   LIG    1       -3.268  -1.678  -0.788  0.00  0.00    +0.064 A 
BRANCH  19  23
ATOM     23  O   LIG    1       -6.029   0.660  -0.187  0.00  0.00    -0.505 OA
ATOM     24  H   LIG    1       -5.972   1.581   0.123  0.00  0.00    +0.292 HD
ENDBRANCH  19  23
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 6