REMARK  Name = BDB058788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK A  0        0.582   1.889   1.354  0.00  0.00    +0.056 A 
ATOM      2  C   UNK A  0        0.571   0.511   1.676  0.00  0.00    +0.006 A 
ATOM      3  C   UNK A  0       -0.476  -0.303   1.157  0.00  0.00    +0.005 A 
ATOM      4  C   UNK A  0       -0.435  -1.689   1.449  0.00  0.00    +0.010 A 
ATOM      5  C   UNK A  0        0.564  -2.259   2.238  0.00  0.00    +0.001 A 
ATOM      6  C   UNK A  0        1.566  -1.460   2.759  0.00  0.00    +0.001 A 
ATOM      7  C   UNK A  0       -1.513   0.280   0.357  0.00  0.00    +0.036 A 
ATOM      8  C   UNK A  0       -1.427   1.640   0.035  0.00  0.00    +0.025 A 
ATOM      9  C   UNK A  0        1.570  -0.094   2.480  0.00  0.00    +0.010 A 
ATOM     10  C   UNK A  0       -0.400   2.436   0.533  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   UNK A  0        1.628   2.753   1.803  0.00  0.00    -0.216 N 
ATOM     12  H   UNK A  0        2.002   2.617   2.739  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   UNK A  0        2.785   3.298   0.702  0.00  0.00    +0.072 S 
ATOM     14  O   UNK A  0        2.134   4.044  -0.354  0.00  0.00    -0.150 OA
ATOM     15  O   UNK A  0        3.835   3.897   1.500  0.00  0.00    -0.150 OA
BRANCH  13  19
ATOM     16  C   UNK A  0        4.488  -0.535  -1.119  0.00  0.00    +0.120 A 
ATOM     17  C   UNK A  0        3.378   0.090  -1.697  0.00  0.00    +0.047 A 
ATOM     18  C   UNK A  0        2.854   1.263  -1.150  0.00  0.00    +0.032 A 
ATOM     19  C   UNK A  0        3.438   1.802  -0.002  0.00  0.00    +0.109 A 
ATOM     20  C   UNK A  0        4.561   1.199   0.572  0.00  0.00    +0.032 A 
ATOM     21  C   UNK A  0        5.081   0.026   0.014  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   UNK A  0        6.014  -2.357  -1.208  0.00  0.00    +0.277 C 
ATOM     23  O   UNK A  0        4.896  -1.674  -1.758  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   7  24
ATOM     24  N   VAL A  1       -2.542  -0.548  -0.143  0.00  0.00    -0.331 N 
ATOM     25  H   VAL A  1       -2.873  -1.140   0.622  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  CA  VAL A  1       -3.701  -0.005  -0.890  0.00  0.00    +0.182 C 
BRANCH  26  27
ATOM     27  CB  VAL A  1       -4.360  -1.154  -1.696  0.00  0.00    +0.014 C 
ATOM     28  CG2 VAL A  1       -5.379  -0.617  -2.707  0.00  0.00    +0.009 C 
ATOM     29  CG1 VAL A  1       -5.014  -2.235  -0.829  0.00  0.00    +0.009 C 
ENDBRANCH  26  27
BRANCH  26  30
ATOM     30  C   VAL A  1       -4.692   0.664   0.072  0.00  0.00    +0.325 C 
ATOM     31  O   VAL A  1       -4.963   0.301   1.208  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  OXT VAL A  1       -5.298   1.748  -0.457  0.00  0.00    -0.479 OA
ATOM     33  HXT VAL A  1       -5.878   2.070   0.266  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  24  26
ENDBRANCH   7  24
TORSDOF 9