REMARK  Name = BDB050016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.402   0.943   0.942  0.00  0.00    +0.243 C 
ATOM      2  N   LIG    1        1.474   0.322   0.351  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.333  -0.405  -0.334  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.418   1.833   1.782  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.802   0.573   0.579  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        3.361   1.744   1.677  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        4.978   1.333   1.280  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        4.990   0.333   0.327  0.00  0.00    +0.080 A 
ATOM      9  N   LIG    1        3.728  -0.103  -0.060  0.00  0.00    -0.225 NA
BRANCH   8  10
ATOM     10  C   LIG    1        6.199  -0.263  -0.241  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.117  -1.510  -0.878  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        7.252  -2.110  -1.431  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        8.484  -1.467  -1.358  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.582  -0.225  -0.735  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.447   0.375  -0.181  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
ENDBRANCH   2   5
BRANCH   1  17
ATOM     16  C   LIG    1       -2.051   0.865   0.921  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -0.891   0.399   0.433  0.00  0.00    +0.068 C 
BRANCH  16  22
ATOM     18  C   LIG    1       -5.692   0.941  -0.023  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1       -5.931  -0.402  -0.334  0.00  0.00    +0.091 A 
ATOM     20  C   LIG    1       -4.909  -1.345  -0.235  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -3.637  -0.935   0.172  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1       -3.373   0.407   0.469  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.416   1.340   0.383  0.00  0.00    +0.053 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.604   3.132   0.159  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -6.784   1.757  -0.156  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -5.019  -2.683  -0.501  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1       -6.303  -3.155  -0.893  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 6