REMARK  Name = BDB058790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   UNK A  0       -0.667  -2.216  -0.849  0.00  0.00    +0.056 A 
ATOM      2  C   UNK A  0       -0.793  -1.894   0.526  0.00  0.00    +0.006 A 
ATOM      3  C   UNK A  0       -1.761  -0.927   0.909  0.00  0.00    +0.005 A 
ATOM      4  C   UNK A  0       -1.897  -0.618   2.281  0.00  0.00    +0.010 A 
ATOM      5  C   UNK A  0       -1.099  -1.213   3.256  0.00  0.00    +0.001 A 
ATOM      6  C   UNK A  0       -0.142  -2.143   2.884  0.00  0.00    +0.001 A 
ATOM      7  C   UNK A  0       -2.570  -0.302  -0.082  0.00  0.00    +0.036 A 
ATOM      8  C   UNK A  0       -2.425  -0.664  -1.426  0.00  0.00    +0.025 A 
ATOM      9  C   UNK A  0        0.006  -2.482   1.538  0.00  0.00    +0.010 A 
ATOM     10  C   UNK A  0       -1.480  -1.610  -1.806  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   UNK A  0        0.335  -3.125  -1.313  0.00  0.00    -0.216 N 
ATOM     12  H   UNK A  0        0.549  -3.939  -0.742  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   UNK A  0        1.687  -2.514  -2.119  0.00  0.00    +0.072 S 
ATOM     14  O   UNK A  0        2.632  -3.608  -2.197  0.00  0.00    -0.150 OA
ATOM     15  O   UNK A  0        1.260  -1.810  -3.310  0.00  0.00    -0.150 OA
BRANCH  13  19
ATOM     16  C   UNK A  0        3.375   0.573   0.802  0.00  0.00    +0.120 A 
ATOM     17  C   UNK A  0        3.806  -0.757   0.850  0.00  0.00    +0.047 A 
ATOM     18  C   UNK A  0        3.300  -1.705  -0.042  0.00  0.00    +0.032 A 
ATOM     19  C   UNK A  0        2.346  -1.315  -0.983  0.00  0.00    +0.109 A 
ATOM     20  C   UNK A  0        1.931   0.018  -1.063  0.00  0.00    +0.032 A 
ATOM     21  C   UNK A  0        2.441   0.958  -0.163  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   UNK A  0        3.503   2.741   1.768  0.00  0.00    +0.277 C 
ATOM     23  O   UNK A  0        3.945   1.389   1.739  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   ALA A  1       -3.476   0.731   0.274  0.00  0.00    -0.331 N 
ATOM     25  H   ALA A  1       -4.333   0.584  -0.271  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  CA  ALA A  1       -3.027   2.134  -0.003  0.00  0.00    +0.177 C 
ATOM     27  CB  ALA A  1       -1.576   2.410   0.383  0.00  0.00    +0.040 C 
BRANCH  26  28
ATOM     28  C   ALA A  1       -3.363   2.554  -1.442  0.00  0.00    +0.325 C 
ATOM     29  O   ALA A  1       -4.232   2.054  -2.143  0.00  0.00    -0.249 OA
BRANCH  28  30
ATOM     30  OXT ALA A  1       -2.663   3.611  -1.898  0.00  0.00    -0.479 OA
ATOM     31  HXT ALA A  1       -3.012   3.759  -2.802  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   7  24
TORSDOF 8