REMARK  Name = BDB016665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.933   0.269   0.654  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        2.701   0.713   0.152  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        1.779  -0.216  -0.304  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1        0.399  -0.093  -0.885  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1       -0.563   0.967  -0.386  0.00  0.00    +0.040 C 
ATOM      6  C   LIG    1        0.006  -1.519  -1.200  0.00  0.00    +0.228 C 
ATOM      7  N   LIG    1        1.047  -2.327  -0.772  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.035  -3.329  -0.886  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -1.016  -1.878  -1.759  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -0.014   1.026  -1.797  0.00  0.00    +0.031 C 
ATOM     11  C   LIG    1        2.104  -1.578  -0.254  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        3.304  -2.051   0.231  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.228  -1.107   0.692  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  14
ATOM     14  C   LIG    1       -2.014   0.646  -0.112  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1       -3.049   1.210  -0.882  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -4.375   0.891  -0.563  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1       -4.722   0.051   0.488  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -6.136   0.012   0.446  0.00  0.00    +0.131 A 
ATOM     19  N   LIG    1       -6.650   0.759  -0.535  0.00  0.00    -0.167 NA
ATOM     20  I   LIG    1       -7.343  -1.065   1.749  0.00  0.00    -0.019 I 
ATOM     21  C   LIG    1       -3.696  -0.507   1.269  0.00  0.00    +0.013 A 
ATOM     22  N   LIG    1       -5.561   1.269  -1.134  0.00  0.00    -0.276 N 
ATOM     23  H   LIG    1       -5.694   1.875  -1.935  0.00  0.00    +0.189 HD
ATOM     24  C   LIG    1       -2.363  -0.197   0.958  0.00  0.00    +0.005 A 
ENDBRANCH   5  14
BRANCH   1  26
ATOM     25  C   LIG    1        6.029   0.892   1.597  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.762   1.274   1.076  0.00  0.00    -0.495 OA
ENDBRANCH   1  26
TORSDOF 2