REMARK  Name = BDB062185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.560  -2.067   2.895  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.655  -1.323   1.941  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -0.582  -0.779   1.066  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.706  -1.098   1.248  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.139   0.070   0.133  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -2.418   0.039   0.375  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -2.769  -0.760   1.413  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -3.689  -0.855   1.806  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        1.853  -0.614   0.465  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.085  -0.442   1.115  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.226  -0.023   0.412  0.00  0.00    -0.005 A 
ATOM     12  C   LIG    1        5.528   0.162   1.136  0.00  0.00    +0.042 C 
ATOM     13  C   LIG    1        6.683   0.238   0.148  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1        6.293   1.160  -0.995  0.00  0.00    +0.229 C 
ATOM     15  O   LIG    1        5.174   0.657  -1.731  0.00  0.00    -0.492 OA
ATOM     16  C   LIG    1        4.123   0.241  -0.957  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        2.913   0.046  -1.619  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        1.786  -0.382  -0.913  0.00  0.00    +0.011 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -3.325   0.780  -0.315  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1       -2.902   1.412  -0.986  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.671   0.489  -0.599  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -5.515   1.546  -0.974  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -6.872   1.333  -1.229  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -7.409   0.054  -1.110  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.588  -1.007  -0.739  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.230  -0.789  -0.482  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3