REMARK  Name = BDB020980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.785  -0.149   2.739  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.920  -0.374   1.552  0.00  0.00    +0.254 C 
ATOM      3  N   LIG    1       -0.077  -1.051   0.714  0.00  0.00    -0.232 N 
ATOM      4  C   LIG    1       -0.549  -1.079  -0.570  0.00  0.00    +0.254 C 
ATOM      5  O   LIG    1       -0.053  -1.593  -1.553  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -1.818  -0.354  -0.561  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -2.698  -0.078  -1.588  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -3.843   0.657  -1.266  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.076   1.093   0.056  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.168   0.802   1.079  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.047   0.073   0.736  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        1.189  -1.623   1.132  0.00  0.00    +0.138 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.290  -0.576   1.318  0.00  0.00    +0.143 C 
BRANCH  13  14
ATOM     14  N   LIG    1        2.736   0.026   0.076  0.00  0.00    -0.323 N 
ATOM     15  C   LIG    1        2.442   1.267  -0.432  0.00  0.00    +0.114 A 
ATOM     16  I   LIG    1        1.201   2.725   0.394  0.00  0.00    -0.021 I 
ATOM     17  C   LIG    1        3.156   1.339  -1.611  0.00  0.00    +0.133 A 
ATOM     18  I   LIG    1        3.225   2.906  -2.972  0.00  0.00    -0.019 I 
ATOM     19  N   LIG    1        3.884   0.195  -1.817  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1        3.608  -0.577  -0.793  0.00  0.00    +0.201 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 3