XEP.mol2

@<TRIPOS>MOLECULE
XEP
   12    11     1     0     0
SMALL
abcg2


@<TRIPOS>ATOM
      1 C1         113.5270    28.6930    -8.2720 c3         1 XEP      -0.079600
      2 C2         114.2290    27.8740    -7.1900 c3         1 XEP      -0.018500
      3 C3         114.0120    26.3720    -7.3640 c3         1 XEP      -0.079600
      4 N1         113.6100    28.2490    -5.8940 n2         1 XEP      -0.000900
      5 O1         114.3730    28.7000    -5.0790 o          1 XEP      -0.166300
      6 H1         113.6850    29.7620    -8.1220 hc         1 XEP       0.046533
      7 H2         113.9350    28.4150    -9.2450 hc         1 XEP       0.046533
      8 H3         112.4550    28.4910    -8.2750 hc         1 XEP       0.046533
      9 H4         115.2940    28.1150    -7.1400 h1         1 XEP       0.066700
     10 H5         114.5140    25.8070    -6.5770 hc         1 XEP       0.046533
     11 H6         112.9480    26.1300    -7.3490 hc         1 XEP       0.046533
     12 H7         114.4230    26.0650    -8.3270 hc         1 XEP       0.046533
@<TRIPOS>BOND
     1     1     2 1   
     2     1     6 1   
     3     1     7 1   
     4     1     8 1   
     5     2     3 1   
     6     2     4 1   
     7     2     9 1   
     8     3    10 1   
     9     3    11 1   
    10     3    12 1   
    11     4     5 2   
@<TRIPOS>SUBSTRUCTURE
     1 XEP         1 TEMP              0 ****  ****    0 ROOT