REMARK  Name = BDB020588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.292  -2.365   0.535  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.403  -1.191   0.497  0.00  0.00    -0.019 A 
ATOM      3  C   LIG    1       -0.990   0.092  -0.032  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.891  -1.348   0.890  0.00  0.00    +0.029 A 
ATOM      5  N   LIG    1        1.321  -2.637   1.293  0.00  0.00    -0.320 N 
ATOM      6  C   LIG    1        0.493  -3.757   1.299  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        1.218  -4.849   1.723  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        2.529  -4.404   1.994  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.567  -3.053   1.726  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -0.859  -3.586   0.901  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -3.479  -1.596   1.105  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -3.015  -1.147   1.887  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -2.739  -2.294   0.187  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -3.189  -2.828  -0.819  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.872  -1.275   0.897  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -5.220   4.240  -0.921  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1       -5.147   2.791  -0.551  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1       -4.846   2.492   0.754  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -4.679   3.236   1.421  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -4.731   1.220   1.252  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -4.427   1.020   2.425  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -4.973   0.094   0.290  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -5.273   0.397  -0.994  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -5.532  -0.600  -2.090  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.354   1.789  -1.416  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1        1.894  -0.216   0.928  0.00  0.00    +0.082 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.771  -0.169  -0.324  0.00  0.00    +0.166 C 
BRANCH  27  28
ATOM     28  O   LIG    1        3.691   0.914  -0.184  0.00  0.00    -0.372 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.607   1.021  -1.279  0.00  0.00    +0.141 C 
ATOM     30  C   LIG    1        5.007   2.498  -1.417  0.00  0.00    +0.036 C 
ATOM     31  C   LIG    1        6.014   2.914  -0.344  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        7.282   2.060  -0.410  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        6.998   0.603  -0.629  0.00  0.00    -0.029 C 
ATOM     34  C   LIG    1        5.794   0.138  -0.996  0.00  0.00    -0.000 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7