@<TRIPOS>MOLECULE
CYO
   13    12     1     0     1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
  1 N          -1.602317   -1.087574   -0.235731 N         1 CYO       -0.5994 ****
  2 H          -1.457847   -1.531605   -1.110787 H         1 CYO        0.3255 ****
  3 CA         -0.429242   -0.543180    0.442658 C         1 CYO        0.1121 ****
  4 HA         -0.436626   -0.830673    1.482648 H         1 CYO        0.1379 ****
  5 C          -0.427764    0.994623    0.457888 C         1 CYO        0.5221 ****
  6 O          -0.175057    1.595401    1.456292 O         1 CYO       -0.5132 ****
  7 CB          0.773510   -1.181703   -0.276642 C         1 CYO       -0.3443 ****
  8 HB1         0.834038   -2.224459    0.010312 H         1 CYO        0.1011 ****
  9 HB2         0.621236   -1.145513   -1.351812 H         1 CYO        0.1011 ****
 10 SG          2.409877   -0.475469   -0.049175 S         1 CYO        1.1998 ****
 11 OD1         2.670448   -0.533792    1.372704 O         1 CYO       -0.6809 ****
 12 OD2         2.279277    0.865865   -0.598927 O         1 CYO       -0.6809 ****
 13 OD3         3.237546   -1.357800   -0.851955 O         1 CYO       -0.6809 ****
@<TRIPOS>BOND
    1     1     2 1
    2     1     3 1
    3     3     4 1
    4     3     5 1
    5     3     7 1
    6     5     6 1
    7     7     8 1
    8     7     9 1
    9     7    10 1
   10    10    11 1
   11    10    12 1
   12    10    13 1
@<TRIPOS>SUBSTRUCTURE
      1  CYO              1 ****               0 ****  ****