REMARK  Name = BDB016166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.347  -0.808   1.151  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -2.240   0.210   0.190  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.110   0.261  -0.639  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -0.120  -0.718  -0.539  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -0.330  -1.710   0.412  0.00  0.00    +0.121 A 
ATOM      6  N   LIG    1       -1.403  -1.773   1.241  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.077  -0.707  -1.399  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.395  -0.474  -0.875  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.489  -0.221   0.501  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1        1.639   0.214   0.859  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1        3.665   0.327   1.156  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        4.843  -0.605   1.023  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1        5.542  -0.476  -0.287  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.860  -0.513  -1.456  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        5.504  -0.512  -2.238  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.774  -0.391  -0.333  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        3.913   1.784   0.773  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        3.488  -0.600  -1.765  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        3.248  -0.820  -3.138  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        1.964  -0.981  -3.643  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        0.887  -0.940  -2.775  0.00  0.00    +0.010 A 
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1       -3.384  -1.923   3.022  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1       -3.439  -0.852   2.039  0.00  0.00    -0.332 N 
ATOM     24  H   LIG    1       -3.533   0.058   2.484  0.00  0.00    +0.147 HD
ENDBRANCH   1  23
BRANCH   2  25
ATOM     25  C   LIG    1       -3.261   1.267   0.004  0.00  0.00    +0.046 C 
ATOM     26  N   LIG    1       -2.893   2.497  -0.168  0.00  0.00    -0.303 NA
ATOM     27  H   LIG    1       -3.700   3.114  -0.281  0.00  0.00    +0.186 HD
BRANCH  25  28
ATOM     28  C   LIG    1       -4.707   0.895  -0.019  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1       -5.712   1.694   0.777  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -5.757   1.719  -0.725  0.00  0.00    +0.010 C 
ENDBRANCH  25  28
ENDBRANCH   2  25
TORSDOF 4