@<TRIPOS>MOLECULE
TP  
   13    13     1     0     0
SMALL
bcc


@<TRIPOS>ATOM
      1 CG         -0.4080   -0.2170   -0.3770 ca        1 TP       -0.1371
      2 H           0.6520   -0.2080   -0.5650 ha        1 TP        0.1336
      3 CD1        -1.0250   -1.2640    0.3450 ca        1 TP       -0.1123
      4 CD2        -1.2200    0.8370   -0.8560 ca        1 TP       -0.1138
      5 CE1        -2.4230   -1.2610    0.5730 ca        1 TP       -0.1453
      6 CE2        -2.6180    0.8450   -0.6340 ca        1 TP       -0.1185
      7 CZ         -3.2330   -0.2130    0.0760 ca        1 TP        0.0166
      8 S12        -4.5830   -0.2410    0.2690 sh        1 TP       -0.2547
      9 HE3        -4.8290   -0.2380    1.4950 hs        1 TP        0.1910
     10 HD1        -0.4240   -2.0920    0.6940 ha        1 TP        0.1332
     11 HD2        -0.7730    1.6330   -1.4360 ha        1 TP        0.1345
     12 HE1        -2.9130   -2.0680    1.1050 ha        1 TP        0.1295
     13 HE2        -3.2240    1.6480   -1.0300 ha        1 TP        0.1432
@<TRIPOS>BOND
     1    1    2 1   
     2    1    3 ar  
     3    1    4 ar  
     4    3    5 ar  
     5    3   10 1   
     6    4    6 ar  
     7    4   11 1   
     8    5    7 ar  
     9    5   12 1   
    10    6    7 ar  
    11    6   13 1   
    12    7    8 1   
    13    8    9 1   
@<TRIPOS>SUBSTRUCTURE
     1 TP          1 TEMP              0 ****  ****    0 ROOT