REMARK  Name = BDB029457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.921   2.171  -0.560  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1       -0.671   1.561  -0.407  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -0.493   0.449   0.436  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -1.614  -0.031   1.160  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.870   0.584   0.993  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -3.022   1.676   0.136  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.471  -1.186   2.104  0.00  0.00    +0.268 C 
ATOM      8  N   LIG    1       -2.546  -1.632   2.676  0.00  0.00    -0.193 N 
ATOM      9  H   LIG    1       -1.945  -2.368   3.082  0.00  0.00    +0.183 HD
ATOM     10  O   LIG    1       -0.381  -1.694   2.347  0.00  0.00    -0.268 OA
BRANCH   8  11
ATOM     11  O   LIG    1       -3.662  -2.096   3.270  0.00  0.00    -0.295 OA
ATOM     12  H   LIG    1       -4.026  -1.315   3.727  0.00  0.00    +0.241 HD
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  14
ATOM     13  N   LIG    1       -2.191   4.216  -2.133  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -2.067   3.303  -1.428  0.00  0.00    +0.099 C 
ENDBRANCH   1  14
BRANCH   3  15
ATOM     15  N   LIG    1        0.770  -0.174   0.537  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1        0.851  -0.799   1.351  0.00  0.00    +0.152 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.810  -0.395  -0.389  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1        3.076  -0.773   0.095  0.00  0.00    +0.145 A 
ATOM     19  F   LIG    1        3.248  -0.956   1.414  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1        4.167  -0.968  -0.748  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        4.005  -0.778  -2.116  0.00  0.00    +0.016 A 
ATOM     22  I   LIG    1        5.613  -1.063  -3.398  0.00  0.00    -0.044 I 
ATOM     23  C   LIG    1        2.764  -0.400  -2.630  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        1.677  -0.207  -1.768  0.00  0.00    +0.027 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 5