REMARK  Name = BDB063079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.835  -1.041   0.643  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1        3.426  -0.783   0.208  0.00  0.00    +0.134 A 
ATOM      3  N   LIG    1        2.803   0.292   0.718  0.00  0.00    -0.197 NA
ATOM      4  C   LIG    1        1.528   0.486   0.333  0.00  0.00    +0.233 A 
ATOM      5  O   LIG    1        0.953   1.633   0.843  0.00  0.00    -0.421 OA
ATOM      6  C   LIG    1       -0.243   2.049   0.295  0.00  0.00    +0.214 A 
ATOM      7  C   LIG    1       -0.993   1.288  -0.511  0.00  0.00    +0.089 A 
ATOM      8  C   LIG    1       -0.605  -0.122  -0.866  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -2.219   1.883  -1.082  0.00  0.00    +0.262 A 
ATOM     10  O   LIG    1       -2.875   1.315  -1.947  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -2.560   3.119  -0.609  0.00  0.00    -0.275 N 
ATOM     12  H   LIG    1       -3.388   3.550  -0.993  0.00  0.00    +0.173 HD
ATOM     13  C   LIG    1       -1.779   3.895   0.200  0.00  0.00    +0.329 A 
ATOM     14  O   LIG    1       -2.087   5.041   0.505  0.00  0.00    -0.247 OA
ATOM     15  N   LIG    1       -0.624   3.312   0.633  0.00  0.00    -0.278 N 
ATOM     16  H   LIG    1       -0.029   3.866   1.237  0.00  0.00    +0.173 HD
ATOM     17  C   LIG    1        0.841  -0.356  -0.513  0.00  0.00    +0.088 A 
ATOM     18  C   LIG    1        1.590  -1.410  -0.967  0.00  0.00    +0.223 A 
ATOM     19  N   LIG    1        2.861  -1.661  -0.637  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   8  20
ATOM     20  C   LIG    1       -1.499  -1.153  -0.188  0.00  0.00    +0.002 A 
ATOM     21  S   LIG    1       -2.479  -2.197  -1.136  0.00  0.00    -0.101 S 
ATOM     22  C   LIG    1       -3.118  -2.966   0.249  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -2.602  -2.447   1.414  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -1.669  -1.401   1.164  0.00  0.00    +0.012 A 
ENDBRANCH   8  20
BRANCH  18  25
ATOM     25  O   LIG    1        1.078  -2.312  -1.841  0.00  0.00    -0.492 OA
ATOM     26  H   LIG    1        1.832  -2.921  -1.941  0.00  0.00    +0.294 HD
ENDBRANCH  18  25
TORSDOF 2