REMARK  Name = BDB026482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.061   0.769  -0.425  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.097  -0.199   0.316  0.00  0.00    +0.305 C 
ATOM      3  N   LIG    1       -0.452  -0.295   1.592  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1       -0.312  -1.635   2.120  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1        0.753  -2.252   1.223  0.00  0.00    +0.128 C 
ATOM      6  N   LIG    1        0.715  -1.419   0.040  0.00  0.00    -0.280 N 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.268   0.732   2.229  0.00  0.00    +0.142 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.786   0.457   2.248  0.00  0.00    +0.146 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -3.066  -0.726   3.016  0.00  0.00    -0.389 OA
ATOM     10  H   LIG    1       -4.034  -0.810   3.064  0.00  0.00    +0.210 HD
ENDBRANCH   8   9
BRANCH   8  11
ATOM     11  C   LIG    1       -3.416   0.343   0.842  0.00  0.00    +0.117 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -3.469   1.632   0.134  0.00  0.00    -0.295 NA
ATOM     13  C   LIG    1       -4.635   2.451   0.512  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -5.949   2.014  -0.102  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -5.975   1.241  -1.277  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -7.204   0.876  -1.843  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -8.400   1.295  -1.260  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -8.377   2.077  -0.107  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.688   0.751  -1.894  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -7.159   2.439   0.468  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.450   1.465  -1.329  0.00  0.00    +0.089 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   3   7
BRANCH   6  22
ATOM     22  C   LIG    1        1.576  -1.633  -1.103  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.037  -1.403  -0.790  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.934  -2.481  -0.732  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        5.281  -2.267  -0.433  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.734  -0.968  -0.193  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1        4.854   0.115  -0.230  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        3.510  -0.105  -0.535  0.00  0.00    +0.007 A 
BRANCH  26  29
ATOM     29  S   LIG    1        7.443  -0.682   0.186  0.00  0.00    -0.000 S 
ATOM     30  O   LIG    1        8.092  -1.969   0.351  0.00  0.00    -0.169 OA
ATOM     31  O   LIG    1        7.502   0.332   1.220  0.00  0.00    -0.169 OA
BRANCH  29  32
ATOM     32  C   LIG    1        8.082   0.095  -1.329  0.00  0.00    +0.136 C 
ATOM     33  C   LIG    1        9.541  -0.165  -1.595  0.00  0.00    +0.028 C 
ATOM     34  C   LIG    1        8.489  -0.864  -2.416  0.00  0.00    +0.028 C 
ENDBRANCH  29  32
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 9