REMARK  Name = BDB016316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.074  -2.886   0.253  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.532  -1.424   0.287  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.345  -0.581   0.301  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.614  -0.991   0.876  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.452   0.799   0.552  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -2.632   1.571   0.405  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.612   2.943   0.728  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.444   3.586   1.117  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.263   2.867   1.177  0.00  0.00    +0.005 A 
ATOM     10  N   LIG    1       -3.895   1.129  -0.044  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.655   1.797   0.005  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.310  -0.016  -0.640  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.497  -0.114  -0.963  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.246   1.490   0.890  0.00  0.00    -0.024 A 
ATOM     15  C   LIG    1       -3.344  -1.111  -0.949  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.111   0.803   0.932  0.00  0.00    +0.041 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.668   0.549  -0.473  0.00  0.00    +0.040 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.984  -0.188  -0.418  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        4.187   0.513  -0.261  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        5.400  -0.174  -0.189  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.421  -1.565  -0.270  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.229  -2.272  -0.422  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.015  -1.587  -0.494  0.00  0.00    +0.003 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  16
TORSDOF 3