REMARK  Name = BDB026419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.033   0.911   1.196  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.337   0.427   0.095  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.199   0.974  -0.987  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.771  -0.796   0.459  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        0.911  -1.004   1.885  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.051  -0.065   2.263  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.912   2.059   1.153  0.00  0.00    +0.144 C 
BRANCH   7  11
ATOM      8  C   LIG    1        6.981   0.939   0.301  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1        6.052   1.013  -0.739  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        4.734   1.373  -0.456  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.343   1.678   0.858  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1        5.293   1.609   1.889  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        6.612   1.245   1.613  0.00  0.00    +0.027 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.587  -1.288  -0.155  0.00  0.00    +0.200 C 
ATOM     15  S   LIG    1        8.658   0.482  -0.062  0.00  0.00    -0.006 S 
ATOM     16  O   LIG    1        9.471   0.836   1.087  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        8.973   0.994  -1.382  0.00  0.00    -0.170 OA
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -0.238  -1.482  -0.340  0.00  0.00    +0.142 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.579  -0.719  -0.399  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.499   0.323  -1.386  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.611   0.735  -1.321  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.731  -1.681  -0.784  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.089  -1.213  -0.420  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.415   0.074  -1.073  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.869   0.488  -0.933  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.861  -0.441  -0.578  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.197  -0.032  -0.478  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.552   1.288  -0.757  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.575   2.208  -1.131  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.473  -1.857  -0.246  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.241   1.810  -1.221  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.090  -2.225  -0.798  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 8