M_C3O3_M:
  ATOMNAME: O1
  FRAGMENT: headgroup
  SMILEIDX: 25
M_C3O3H1_M:
  ATOMNAME: HO1
  FRAGMENT: headgroup
M_C3_M:
  ATOMNAME: C3
  FRAGMENT: tail
  SMILEIDX: 23
M_C3H1_M:
  ATOMNAME: H31
  FRAGMENT: tail
M_C4_M:
  ATOMNAME: C4
  FRAGMENT: tail
  SMILEIDX: 24
M_C4H1_M:
  ATOMNAME: H41
  FRAGMENT: tail
M_C4H2_M:
  ATOMNAME: H42
  FRAGMENT: tail
M_C5_M:
  ATOMNAME: C5
  FRAGMENT: tail
  SMILEIDX: 19
M_C6_M:
  ATOMNAME: C6
  FRAGMENT: tail
  SMILEIDX: 18
M_C6H1_M:
  ATOMNAME: H61
  FRAGMENT: tail
M_C7_M:
  ATOMNAME: C7
  FRAGMENT: tail
  SMILEIDX: 17
M_C7H1_M:
  ATOMNAME: H71
  FRAGMENT: tail
M_C7H2_M:
  ATOMNAME: H72
  FRAGMENT: tail
M_C8_M:
  ATOMNAME: C8
  FRAGMENT: tail
  SMILEIDX: 16
M_C8H1_M:
  ATOMNAME: H81
  FRAGMENT: tail
M_C14_M:
  ATOMNAME: C14
  FRAGMENT: tail
  SMILEIDX: 11
M_C14H1_M:
  ATOMNAME: H141
  FRAGMENT: tail
M_C15_M:
  ATOMNAME: C15
  FRAGMENT: tail
  SMILEIDX: 10
M_C15H1_M:
  ATOMNAME: H151
  FRAGMENT: tail
M_C15H2_M:
  ATOMNAME: H152
  FRAGMENT: tail
M_C16_M:
  ATOMNAME: C16
  FRAGMENT: tail
  SMILEIDX: 9
M_C16H1_M:
  ATOMNAME: H161
  FRAGMENT: tail
M_C16H2_M:
  ATOMNAME: H162
  FRAGMENT: tail
M_C17_M:
  ATOMNAME: C17
  FRAGMENT: tail
  SMILEIDX: 8
M_C17H1_M:
  ATOMNAME: H171
  FRAGMENT: tail
M_C13_M:
  ATOMNAME: C13
  FRAGMENT: tail
  SMILEIDX: 12
M_C18_M:
  ATOMNAME: C18
  FRAGMENT: tail
  SMILEIDX: 27
M_C18H1_M:
  ATOMNAME: H181
  FRAGMENT: tail
M_C18H2_M:
  ATOMNAME: H182
  FRAGMENT: tail
M_C18H3_M:
  ATOMNAME: H183
  FRAGMENT: tail
M_C12_M:
  ATOMNAME: C12
  FRAGMENT: tail
  SMILEIDX: 13
M_C12H1_M:
  ATOMNAME: H121
  FRAGMENT: tail
M_C12H2_M:
  ATOMNAME: H122
  FRAGMENT: tail
M_C11_M:
  ATOMNAME: C11
  FRAGMENT: tail
  SMILEIDX: 14
M_C11H1_M:
  ATOMNAME: H111
  FRAGMENT: tail
M_C11H2_M:
  ATOMNAME: H112
  FRAGMENT: tail
M_C9_M:
  ATOMNAME: C9
  FRAGMENT: tail
  SMILEIDX: 15
M_C9H1_M:
  ATOMNAME: H91
  FRAGMENT: tail
M_C10_M:
  ATOMNAME: C10
  FRAGMENT: tail
  SMILEIDX: 20
M_C19_M:
  ATOMNAME: C19
  FRAGMENT: tail
  SMILEIDX: 26
M_C19H1_M:
  ATOMNAME: H191
  FRAGMENT: tail
M_C19H2_M:
  ATOMNAME: H192
  FRAGMENT: tail
M_C19H3_M:
  ATOMNAME: H193
  FRAGMENT: tail
M_C1_M:
  ATOMNAME: C1
  FRAGMENT: tail
  SMILEIDX: 21
M_C1H1_M:
  ATOMNAME: H11
  FRAGMENT: tail
M_C1H2_M:
  ATOMNAME: H12
  FRAGMENT: tail
M_C2_M:
  ATOMNAME: C2
  FRAGMENT: tail
  SMILEIDX: 22
M_C2H1_M:
  ATOMNAME: H21
  FRAGMENT: tail
M_C2H2_M:
  ATOMNAME: H22
  FRAGMENT: tail
M_C20_M:
  ATOMNAME: C20
  FRAGMENT: tail
  SMILEIDX: 1
M_C20H1_M:
  ATOMNAME: H201
  FRAGMENT: tail
M_C21_M:
  ATOMNAME: C21
  FRAGMENT: tail
  SMILEIDX: 0
M_C21H1_M:
  ATOMNAME: H211
  FRAGMENT: tail
M_C21H2_M:
  ATOMNAME: H212
  FRAGMENT: tail
M_C21H3_M:
  ATOMNAME: H213
  FRAGMENT: tail
M_C22_M:
  ATOMNAME: C22
  FRAGMENT: tail
  SMILEIDX: 2
M_C22H1_M:
  ATOMNAME: H221
  FRAGMENT: tail
M_C22H2_M:
  ATOMNAME: H222
  FRAGMENT: tail
M_C23_M:
  ATOMNAME: C23
  FRAGMENT: tail
  SMILEIDX: 3
M_C23H1_M:
  ATOMNAME: H231
  FRAGMENT: tail
M_C23H2_M:
  ATOMNAME: H232
  FRAGMENT: tail
M_C24_M:
  ATOMNAME: C24
  FRAGMENT: tail
  SMILEIDX: 4
M_C24H1_M:
  ATOMNAME: H241
  FRAGMENT: tail
M_C24H2_M:
  ATOMNAME: H242
  FRAGMENT: tail
M_C25_M:
  ATOMNAME: C25
  FRAGMENT: tail
  SMILEIDX: 5
M_C25H1_M:
  ATOMNAME: H251
  FRAGMENT: tail
M_C26_M:
  ATOMNAME: C26
  FRAGMENT: tail
  SMILEIDX: 6
M_C26H1_M:
  ATOMNAME: H261
  FRAGMENT: tail
M_C26H2_M:
  ATOMNAME: H262
  FRAGMENT: tail
M_C26H3_M:
  ATOMNAME: H263
  FRAGMENT: tail
M_C27_M:
  ATOMNAME: C27
  FRAGMENT: tail
  SMILEIDX: 7
M_C27H1_M:
  ATOMNAME: H271
  FRAGMENT: tail
M_C27H2_M:
  ATOMNAME: H272
  FRAGMENT: tail
M_C27H3_M:
  ATOMNAME: H273
  FRAGMENT: tail