REMARK  Name = BDB026859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.037   0.134   0.497  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.093   1.223  -0.567  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.448   2.449  -0.324  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.467   3.468  -1.277  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.123   3.276  -2.490  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.752   2.061  -2.755  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.732   1.038  -1.804  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.276  -0.574   0.547  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.158  -1.374   1.171  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.742  -1.078  -0.753  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.009  -1.939  -0.607  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.479   0.338   0.543  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        4.772  -0.376   1.512  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        3.654  -1.120   1.134  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.236  -1.151  -0.204  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.950  -0.415  -1.163  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        5.069   0.332  -0.792  0.00  0.00    +0.029 A 
BRANCH  12  18
ATOM     18  S   LIG    1        6.898   1.291   1.008  0.00  0.00    +0.056 S 
ATOM     19  O   LIG    1        7.023   2.407   0.101  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        6.899   1.452   2.444  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        8.149   0.210   0.676  0.00  0.00    -0.204 NA
ATOM     22  H   LIG    1        7.835  -0.617   0.169  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        8.611  -0.034   1.554  0.00  0.00    +0.144 HD
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -2.225  -0.869   0.489  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -2.033  -2.076   0.308  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.585  -0.372   0.756  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -4.801  -1.135   0.720  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1       -5.843  -0.268   1.032  0.00  0.00    +0.139 A 
ATOM     29  N   LIG    1       -7.155  -0.550   1.112  0.00  0.00    -0.237 NA
ATOM     30  C   LIG    1       -7.431  -1.847   0.848  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -6.498  -2.823   0.523  0.00  0.00    +0.020 A 
ATOM     32  N   LIG    1       -5.310   0.969   1.254  0.00  0.00    -0.345 N 
ATOM     33  H   LIG    1       -5.864   1.778   1.496  0.00  0.00    +0.167 HD
ATOM     34  C   LIG    1       -5.149  -2.472   0.454  0.00  0.00    +0.014 A 
ATOM     35  C   LIG    1       -3.948   0.923   1.099  0.00  0.00    +0.096 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9