REMARK  Name = BDB002011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.387  -1.142   1.431  0.00  0.00    -0.274 N 
ATOM      2  C   LIG    1        0.179  -1.064   2.693  0.00  0.00    +0.197 A 
ATOM      3  N   LIG    1        1.267  -1.800   2.757  0.00  0.00    -0.122 NA
ATOM      4  N   LIG    1        1.434  -2.404   1.546  0.00  0.00    -0.133 NA
ATOM      5  C   LIG    1        0.442  -2.033   0.754  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.762   0.914  -0.060  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -3.810   0.297   1.191  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.690  -0.378   1.689  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -1.516  -0.447   0.930  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.461   0.179  -0.319  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -2.583   0.852  -0.807  0.00  0.00    +0.047 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.000   1.703   0.063  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -4.779   1.604  -0.658  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1       -0.234   0.107   3.908  0.00  0.00    -0.076 S 
BRANCH  14  15
ATOM     15  C   LIG    1        1.387   0.910   4.117  0.00  0.00    +0.173 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.794   1.621   2.831  0.00  0.00    +0.227 C 
ATOM     17  N   LIG    1        2.492   0.802   1.956  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1        2.667  -0.155   2.268  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        1.484   2.793   2.636  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.857   1.077   0.623  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.577   2.274  -0.037  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1        2.937   2.438  -1.377  0.00  0.00    +0.164 A 
ATOM     23  O   LIG    1        2.594   3.632  -1.964  0.00  0.00    -0.485 OA
ATOM     24  C   LIG    1        2.687   3.559  -3.391  0.00  0.00    +0.270 C 
ATOM     25  C   LIG    1        3.990   2.894  -3.806  0.00  0.00    +0.270 C 
ATOM     26  O   LIG    1        4.028   1.533  -3.359  0.00  0.00    -0.485 OA
ATOM     27  C   LIG    1        3.614   1.423  -2.057  0.00  0.00    +0.162 A 
ATOM     28  C   LIG    1        3.887   0.222  -1.411  0.00  0.00    +0.051 A 
ATOM     29  C   LIG    1        3.509   0.051  -0.077  0.00  0.00    +0.027 A 
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   5  30
ATOM     30  C   LIG    1        0.197  -2.609  -0.605  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.990  -3.529  -0.637  0.00  0.00    -0.003 A 
ATOM     32  S   LIG    1       -2.278  -3.241  -1.731  0.00  0.00    -0.101 S 
ATOM     33  C   LIG    1       -3.135  -4.616  -1.186  0.00  0.00    +0.045 A 
ATOM     34  C   LIG    1       -2.455  -5.290  -0.195  0.00  0.00    +0.008 A 
ATOM     35  C   LIG    1       -1.214  -4.666   0.118  0.00  0.00    +0.011 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 8