REMARK  Name = BDB026860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.848  -0.078   0.257  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.913   1.267   0.968  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.118   1.359   2.355  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.167   2.603   2.986  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.000   3.770   2.244  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.778   3.696   0.871  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.730   2.453   0.237  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.470  -0.710   0.537  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.382  -1.157   1.455  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.834  -1.743  -0.442  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.412  -1.188  -1.756  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.333   0.535  -1.302  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        4.204   1.303  -1.010  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.936   0.741  -1.158  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.789  -0.580  -1.606  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.934  -1.334  -1.903  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        5.207  -0.779  -1.757  0.00  0.00    +0.029 A 
BRANCH  12  18
ATOM     18  S   LIG    1        6.939   1.253  -1.096  0.00  0.00    +0.056 S 
ATOM     19  O   LIG    1        7.921   0.368  -1.680  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        6.860   2.655  -1.430  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        7.154   1.124   0.570  0.00  0.00    -0.204 NA
ATOM     22  H   LIG    1        7.929   0.484   0.752  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        6.306   0.841   1.061  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       -2.010  -1.017   0.691  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -1.806  -1.932   1.497  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.349  -0.802   0.128  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -4.523  -1.591   0.375  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1       -5.562  -1.029  -0.358  0.00  0.00    +0.139 A 
ATOM     29  N   LIG    1       -6.840  -1.442  -0.429  0.00  0.00    -0.237 NA
ATOM     30  C   LIG    1       -7.080  -2.537   0.327  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -6.145  -3.202   1.109  0.00  0.00    +0.020 A 
ATOM     32  N   LIG    1       -5.070   0.055  -1.024  0.00  0.00    -0.345 N 
ATOM     33  H   LIG    1       -5.634   0.643  -1.622  0.00  0.00    +0.167 HD
ATOM     34  C   LIG    1       -4.833  -2.729   1.142  0.00  0.00    +0.014 A 
ATOM     35  C   LIG    1       -3.734   0.205  -0.747  0.00  0.00    +0.096 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9