REMARK  Name = BDB021548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.142   0.507  -2.058  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1        0.612  -0.799  -1.833  0.00  0.00    +0.188 C 
ATOM      3  O   LIG    1        2.014  -0.575  -1.808  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1        2.664  -0.186  -0.678  0.00  0.00    +0.137 A 
ATOM      5  C   LIG    1        2.195   0.029   0.620  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        3.135   0.446   1.594  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.490   0.639   1.304  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        4.949   0.424   0.017  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        0.801  -0.117   1.151  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.534   0.472   2.203  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -0.140  -0.928   0.528  0.00  0.00    -0.291 N 
ATOM     12  C   LIG    1        4.035   0.011  -0.953  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        0.136  -1.677  -0.682  0.00  0.00    +0.152 C 
ENDROOT
BRANCH   8  14
ATOM     14  O   LIG    1        6.232   0.559  -0.427  0.00  0.00    -0.489 OA
BRANCH  14  15
ATOM     15  C   LIG    1        7.225   1.111   0.451  0.00  0.00    +0.176 C 
ATOM     16  C   LIG    1        7.867   0.009   1.298  0.00  0.00    +0.059 C 
ATOM     17  C   LIG    1        8.685  -0.953   0.440  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1        9.707  -0.239  -0.328  0.00  0.00    -0.316 NA
ATOM     19  H   LIG    1       10.230  -0.911  -0.890  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        9.095   0.749  -1.218  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1        8.289   1.778  -0.428  0.00  0.00    +0.059 C 
ENDBRANCH  14  15
ENDBRANCH   8  14
BRANCH  11  22
ATOM     22  C   LIG    1       -1.442  -1.137   1.186  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.651  -0.594   0.398  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.547   0.823   0.217  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -3.469   1.137   0.114  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.966  -0.897   1.153  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.128  -0.241   0.508  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -6.261  -0.195   1.458  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -7.549   0.318   0.850  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -7.749   0.299  -0.541  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -8.962   0.751  -1.077  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -9.982   1.196  -0.236  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -9.795   1.198   1.144  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.636  -0.145  -1.452  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -8.586   0.759   1.686  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -5.553  -0.945  -0.715  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 7