REMARK  Name = BDB020587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.457  -1.505   0.576  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.916  -1.025   0.811  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1        1.091  -0.007   1.910  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        1.933  -1.568   0.080  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        1.615  -2.623  -0.819  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        0.324  -3.115  -1.005  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        0.356  -4.140  -1.926  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        1.698  -4.304  -2.323  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.446  -3.375  -1.633  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -0.731  -2.511  -0.276  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -1.847   0.415   0.895  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -1.239   0.847   0.207  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -1.660  -0.904   1.222  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -2.415  -1.561   1.928  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -3.024   1.155   1.287  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -6.624   1.478  -3.270  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1       -5.760   1.322  -2.058  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1       -4.611   2.071  -2.007  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -4.374   2.691  -2.771  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -3.706   2.035  -0.978  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -2.684   2.715  -1.005  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -4.025   1.121   0.170  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -5.162   0.393   0.115  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -5.633  -0.574   1.168  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.045   0.498  -1.040  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1        3.391  -1.120   0.139  0.00  0.00    +0.162 C 
ATOM     27  C   LIG    1        4.168  -1.912   1.191  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1        3.466   0.283   0.429  0.00  0.00    -0.371 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.612   0.926  -0.127  0.00  0.00    +0.163 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.611   2.400   0.295  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        5.752   3.151  -0.388  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1        4.714   2.544   1.815  0.00  0.00    +0.009 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 7