REMARK  Name = BDB007105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.682  -1.580   0.081  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.673  -1.197  -1.269  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.530  -1.259  -2.002  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        0.864  -0.938  -3.349  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        2.208  -1.177  -3.517  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1        2.689  -1.666  -2.329  0.00  0.00    -0.218 N 
ATOM      7  C   LIG    1        1.695  -1.717  -1.371  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1        1.692  -2.121  -0.025  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.488  -2.048   0.684  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.852  -0.576   0.546  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.607   0.134  -0.128  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.925  -1.531   0.900  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -2.066  -2.296   1.847  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.086  -0.376   1.294  0.00  0.00    +0.103 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.301   1.120   1.474  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -3.858   1.738   2.655  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.010   3.113   2.845  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.597   3.893   1.853  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.028   3.300   0.668  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.876   1.924   0.476  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
BRANCH  14  22
ATOM     21  C   LIG    1       -5.198  -2.601   0.693  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -5.276  -1.081   0.612  0.00  0.00    +0.024 C 
ENDBRANCH  14  22
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  S   LIG    1        4.345  -1.957  -2.041  0.00  0.00    +0.084 S 
ATOM     24  O   LIG    1        5.003  -1.876  -3.331  0.00  0.00    -0.148 OA
ATOM     25  O   LIG    1        4.397  -3.154  -1.224  0.00  0.00    -0.148 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.857  -0.564  -1.075  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.810   0.715  -1.637  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        5.206   1.814  -0.873  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.665   1.640   0.440  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        6.059   2.828   1.268  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        5.706   0.351   0.988  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.312  -0.754   0.231  0.00  0.00    +0.029 A 
ENDBRANCH  23  26
ENDBRANCH   6  23
TORSDOF 6