REMARK  Name = BDB026616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.393  -0.821  -0.645  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -0.254   0.320  -1.202  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -1.420   0.141  -1.998  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.056   1.288  -2.534  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.572   2.575  -2.305  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.435   2.751  -1.536  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.905  -1.175  -2.215  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1       -1.257  -2.279  -1.663  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        0.213   1.640  -0.995  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.118  -2.105  -0.891  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -3.098  -1.418  -2.965  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1       -3.281  -0.844  -3.784  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -4.505  -1.877  -2.153  0.00  0.00    +0.072 S 
ATOM     14  O   LIG    1       -5.572  -1.780  -3.127  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1       -4.266  -3.107  -1.429  0.00  0.00    -0.150 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -4.745  -0.577  -0.964  0.00  0.00    +0.109 A 
ATOM     17  C   LIG    1       -4.183  -0.690   0.311  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -4.368   0.335   1.244  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -5.127   1.459   0.912  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -5.708   1.546  -0.358  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -5.527   0.530  -1.298  0.00  0.00    +0.032 A 
BRANCH  19  22
ATOM     22  O   LIG    1       -5.381   2.527   1.727  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1       -4.796   2.500   3.023  0.00  0.00    +0.277 C 
ENDBRANCH  19  22
ENDBRANCH  13  16
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  24
ATOM     24  C   LIG    1        1.650  -0.725   0.200  0.00  0.00    +0.040 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.913  -0.644  -0.664  0.00  0.00    +0.040 C 
BRANCH  25  29
ATOM     26  C   LIG    1        6.449  -0.315   1.803  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        5.783   0.830   1.361  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        4.644   0.729   0.559  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.156  -0.527   0.183  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1        4.822  -1.674   0.632  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        5.963  -1.569   1.436  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.270  -1.206   3.043  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        7.548  -0.072   2.581  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8