REMARK  Name = BDB017437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.989   3.325   2.074  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.137   2.350   1.356  0.00  0.00    +0.228 C 
ATOM      3  C   LIG    1       -1.233   1.138   1.330  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1        0.254   1.312   1.565  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1       -0.610   0.597   2.585  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1       -1.866   0.233   0.311  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -2.999   0.892  -0.200  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.830   0.352  -1.161  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -3.509  -0.921  -1.632  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -2.390  -1.599  -1.129  0.00  0.00    +0.124 A 
ATOM     11  F   LIG    1       -2.109  -2.824  -1.595  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -1.563  -1.036  -0.156  0.00  0.00    +0.044 A 
ATOM     13  N   LIG    1       -3.136   2.134   0.424  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -3.873   2.800   0.254  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   4  15
ATOM     15  C   LIG    1        1.288   0.561   0.758  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.157  -0.365   1.366  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.100  -1.026   0.570  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1        3.230  -0.802  -0.796  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        4.280  -1.666  -1.189  0.00  0.00    +0.131 A 
ATOM     20  N   LIG    1        4.779  -2.375  -0.174  0.00  0.00    -0.167 NA
ATOM     21  I   LIG    1        5.014  -1.856  -3.123  0.00  0.00    -0.019 I 
ATOM     22  C   LIG    1        2.381   0.136  -1.408  0.00  0.00    +0.013 A 
ATOM     23  N   LIG    1        4.051  -1.964   0.877  0.00  0.00    -0.276 N 
ATOM     24  H   LIG    1        4.250  -2.366   1.786  0.00  0.00    +0.189 HD
ATOM     25  C   LIG    1        1.432   0.805  -0.620  0.00  0.00    +0.005 A 
ENDBRANCH   4  15
TORSDOF 1