REMARK  Name = BDB058545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.447   2.179   3.112  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -0.201   1.622   1.781  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        1.139   1.014   1.716  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        1.433   0.462   0.303  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        0.357  -0.550  -0.121  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -1.044   0.061   0.011  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -1.247   0.645   1.431  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.830  -0.127   0.201  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1        3.759   0.440  -0.687  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1        5.046  -0.088  -0.802  0.00  0.00    +0.162 A 
ATOM     11  O   LIG    1        5.879   0.515  -1.710  0.00  0.00    -0.485 OA
ATOM     12  C   LIG    1        7.022  -0.302  -1.989  0.00  0.00    +0.270 C 
ATOM     13  C   LIG    1        7.618  -0.848  -0.702  0.00  0.00    +0.270 C 
ATOM     14  O   LIG    1        6.690  -1.718  -0.044  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1        5.433  -1.170  -0.009  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        4.520  -1.751   0.866  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.227  -1.232   0.972  0.00  0.00    +0.008 A 
ENDBRANCH   4   8
BRANCH   6  18
ATOM     18  N   LIG    1       -2.036  -0.987  -0.289  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.981  -1.697   0.441  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.367  -0.647  -0.391  0.00  0.00    +0.199 A 
ATOM     21  N   LIG    1       -3.832   0.050  -1.513  0.00  0.00    -0.282 N 
ATOM     22  C   LIG    1       -2.976   0.326  -2.652  0.00  0.00    +0.155 C 
ATOM     23  C   LIG    1       -5.159   0.472  -1.619  0.00  0.00    +0.279 A 
ATOM     24  O   LIG    1       -5.616   1.124  -2.554  0.00  0.00    -0.265 OA
ATOM     25  C   LIG    1       -5.944   0.057  -0.508  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1       -5.441  -0.661   0.532  0.00  0.00    +0.097 A 
ATOM     27  C   LIG    1       -6.466  -0.916   1.453  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -7.606  -0.329   0.932  0.00  0.00    +0.085 A 
ATOM     29  N   LIG    1       -7.274   0.264  -0.267  0.00  0.00    -0.355 N 
ATOM     30  H   LIG    1       -7.902   0.769  -0.880  0.00  0.00    +0.166 HD
ATOM     31  N   LIG    1       -4.108  -1.038   0.618  0.00  0.00    -0.214 NA
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3