REMARK  Name = BDB018458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.160   0.232  -0.878  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        1.515   1.591  -0.847  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1        2.865   1.974  -0.929  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        3.865   1.013  -1.080  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        3.519  -0.336  -1.144  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1        2.179  -0.724  -1.067  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.323  -0.483  -0.169  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.254   0.385  -0.110  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -0.170  -0.245  -0.691  0.00  0.00    -0.238 N 
ATOM     10  N   LIG    1       -0.486  -1.526  -1.026  0.00  0.00    -0.174 NA
ATOM     11  C   LIG    1       -1.784  -1.645  -0.746  0.00  0.00    +0.143 A 
BRANCH   7  19
ATOM     12  C   LIG    1       -7.240  -1.376  -0.582  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -6.059  -0.713   0.052  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.341   0.220   1.189  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -7.496   0.396   1.568  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -5.228   0.842   1.750  0.00  0.00    -0.317 N 
ATOM     17  C   LIG    1       -5.414   1.761   2.862  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1       -3.938   0.605   1.302  0.00  0.00    +0.097 A 
ATOM     19  C   LIG    1       -3.661  -0.237   0.288  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.790  -0.904  -0.346  0.00  0.00    +0.018 A 
ENDBRANCH   7  19
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1        0.557   2.706  -0.849  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        0.513   3.618  -0.049  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -0.246   2.635  -1.923  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1       -0.801   3.442  -1.885  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH   2  21
BRANCH   5  25
ATOM     25  O   LIG    1        4.445  -1.334  -1.345  0.00  0.00    -0.456 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.595  -1.287  -0.591  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        6.806  -1.450  -1.264  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        8.004  -1.443  -0.550  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.988  -1.290   0.837  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.774  -1.151   1.512  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        5.574  -1.158   0.800  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6