REMARK  Name = BDB021654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.297  -2.975   0.695  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1        0.599  -1.483   0.583  0.00  0.00    +0.188 C 
ATOM      3  O   LIG    1        2.014  -1.373   0.439  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1        2.581  -0.150   0.216  0.00  0.00    +0.137 A 
ATOM      5  C   LIG    1        1.976   1.101   0.048  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.808   2.221  -0.160  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.198   2.100  -0.215  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        4.799   0.858  -0.056  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        0.519   1.423   0.083  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.182   2.531   0.507  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -0.427   0.516  -0.382  0.00  0.00    -0.291 N 
ATOM     12  C   LIG    1        3.988  -0.254   0.156  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1       -0.108  -0.883  -0.630  0.00  0.00    +0.152 C 
ENDROOT
BRANCH   8  14
ATOM     14  O   LIG    1        6.162   0.870  -0.136  0.00  0.00    -0.487 OA
BRANCH  14  15
ATOM     15  C   LIG    1        6.877  -0.344   0.108  0.00  0.00    +0.189 C 
ATOM     16  C   LIG    1        8.348  -0.001   0.401  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1        9.146  -0.422  -0.767  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        9.262   0.667  -1.739  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1        8.399  -1.558  -1.320  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        6.929  -1.214  -1.147  0.00  0.00    +0.061 C 
ENDBRANCH  14  15
ENDBRANCH   8  14
BRANCH  11  21
ATOM     21  C   LIG    1       -1.846   0.874  -0.239  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.390   0.565   1.166  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.587  -0.857   1.299  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -3.493  -1.006   0.954  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.731   1.268   1.475  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.843   0.655   0.711  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -6.036   0.502   1.574  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -7.255  -0.002   0.833  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -7.364   0.147  -0.561  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.515  -0.300  -1.222  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -9.565  -0.868  -0.501  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -9.470  -0.999   0.882  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.216   0.728  -1.346  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -8.323  -0.566   1.547  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.215   1.478  -0.456  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  11  21
TORSDOF 7