REMARK  Name = BDB026858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.048   0.331  -0.375  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.123   0.674   1.108  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.497   1.845   1.570  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.533   2.190   2.922  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.188   1.366   3.833  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.798   0.192   3.396  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.761  -0.157   2.044  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.277  -0.220  -0.785  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.173  -0.559  -1.744  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.750  -1.340   0.042  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.034  -1.965  -0.531  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.458   0.630  -0.236  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        4.770   0.533  -1.446  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        3.666  -0.316  -1.541  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.245  -1.064  -0.432  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.940  -0.943   0.781  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        5.044  -0.096   0.883  0.00  0.00    +0.029 A 
BRANCH  12  18
ATOM     18  S   LIG    1        6.857   1.708  -0.099  0.00  0.00    +0.056 S 
ATOM     19  O   LIG    1        6.953   2.170   1.265  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        6.859   2.612  -1.228  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        8.130   0.639  -0.377  0.00  0.00    -0.204 NA
ATOM     22  H   LIG    1        7.834  -0.336  -0.394  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        8.601   0.910  -1.242  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       -2.218  -0.535  -0.921  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -2.006  -1.645  -1.419  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.588   0.009  -0.888  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -4.795  -0.669  -1.273  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -5.858   0.213  -1.077  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1       -7.175  -0.136  -1.350  0.00  0.00    +0.136 A 
ATOM     30  N   LIG    1       -7.444  -1.372  -1.825  0.00  0.00    -0.261 NA
ATOM     31  C   LIG    1       -6.424  -2.234  -2.020  0.00  0.00    +0.111 A 
ATOM     32  N   LIG    1       -5.330   1.385  -0.596  0.00  0.00    -0.359 N 
ATOM     33  H   LIG    1       -5.872   2.206  -0.358  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1       -5.090  -1.951  -1.766  0.00  0.00    +0.030 A 
ATOM     35  C   LIG    1       -3.969   1.278  -0.485  0.00  0.00    +0.095 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9