REMARK  Name = BDB050664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.333   0.555  -0.754  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.554  -0.599  -0.865  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.180  -0.533  -0.612  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.408   0.683  -0.251  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.386   1.831  -0.148  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.758   1.775  -0.399  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.523   1.052  -3.298  0.00  0.00    +0.171 C 
ATOM      8  N   LIG    1        4.346   0.699  -2.151  0.00  0.00    -0.286 NA
ATOM      9  C   LIG    1        3.789   0.479  -1.010  0.00  0.00    +0.076 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.653   0.124   0.112  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.077  -0.061   0.138  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        6.402  -0.392   1.449  0.00  0.00    +0.135 A 
ATOM     13  C   LIG    1        7.694  -0.656   1.899  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        8.717  -0.576   0.950  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.440  -0.248  -0.379  0.00  0.00    +0.001 A 
ATOM     16  O   LIG    1        5.283  -0.420   2.220  0.00  0.00    -0.462 OA
ATOM     17  C   LIG    1        7.128   0.011  -0.799  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.240  -0.107   1.413  0.00  0.00    +0.206 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  O   LIG    1       -1.733   0.884   0.024  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.595  -0.248  -0.045  0.00  0.00    +0.227 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.999   0.238   0.317  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.001  -0.910   0.274  0.00  0.00    -0.073 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -6.441  -0.492   0.631  0.00  0.00    +0.374 N 
ATOM     24  C   LIG    1       -6.532   0.056   2.053  0.00  0.00    -0.093 C 
ATOM     25  C   LIG    1       -6.986   0.544  -0.347  0.00  0.00    -0.093 C 
ATOM     26  C   LIG    1       -7.327  -1.740   0.545  0.00  0.00    -0.093 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7