REMARK  Name = BDB060124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.361   0.188  -0.934  0.00  0.00    -0.192 N 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        2.392   0.266  -0.528  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        1.046  -0.088  -0.344  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.024   0.581  -1.026  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.347   1.589  -1.936  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.676   1.960  -2.122  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.688   1.306  -1.415  0.00  0.00    +0.023 A 
BRANCH   2   8
ATOM      8  N   LIG    1        3.378  -0.412   0.210  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1        3.103  -1.342   0.508  0.00  0.00    +0.152 HD
BRANCH   8  12
ATOM     10  C   LIG    1        6.918  -0.687   1.305  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        5.621  -1.011   0.890  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        4.651  -0.023   0.663  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        5.019   1.312   0.850  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        6.310   1.648   1.266  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.260   0.651   1.492  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        9.074  -1.485   1.912  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        7.746  -1.762   1.486  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   2   8
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  S   LIG    1       -2.003   0.142   0.657  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1       -1.668  -1.158   1.201  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.625   1.347   1.365  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.787   0.248   0.389  0.00  0.00    +0.115 A 
ATOM     22  C   LIG    1       -4.667  -0.689   0.983  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1       -4.241  -1.767   1.942  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1       -6.040  -0.621   0.676  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -6.556   0.371  -0.159  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -8.019   0.400  -0.494  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -5.684   1.311  -0.709  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.305   1.286  -0.430  0.00  0.00    -0.023 A 
ATOM     29  C   LIG    1       -3.470   2.368  -1.064  0.00  0.00    +0.046 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
BRANCH   1  30
ATOM     30  C   LIG    1       -1.761  -0.924  -1.837  0.00  0.00    +0.251 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.438  -2.323  -1.374  0.00  0.00    +0.324 C 
ATOM     32  O   LIG    1       -0.329  -2.818  -1.249  0.00  0.00    -0.249 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -2.540  -3.049  -1.090  0.00  0.00    -0.479 OA
ATOM     34  H   LIG    1       -2.177  -3.881  -0.717  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 9