M_G1C1_M:
  ATOMNAME: C16
  FRAGMENT: sn-1
  SMILEIDX: 1
M_G1C1H1_M:
  ATOMNAME: H67
  FRAGMENT: sn-1
M_G1C1H2_M:
  ATOMNAME: H68
  FRAGMENT: sn-1
M_G1C2_M:
  ATOMNAME: C15
  FRAGMENT: sn-1
  SMILEIDX: 2
M_G1C2H1_M:
  ATOMNAME: H65
  FRAGMENT: sn-1
M_G1C2H2_M:
  ATOMNAME: H66
  FRAGMENT: sn-1
M_G1C3_M:
  ATOMNAME: C14
  FRAGMENT: sn-1
  SMILEIDX: 3
M_G1C3H1_M:
  ATOMNAME: H64
  FRAGMENT: sn-1
M_G1C3H2_M:
  ATOMNAME: H63
  FRAGMENT: sn-1
M_G1C4_M:
  ATOMNAME: C13
  FRAGMENT: sn-1
  SMILEIDX: 4
M_G1C4H1_M:
  ATOMNAME: H62
  FRAGMENT: sn-1
M_G1C4H2_M:
  ATOMNAME: H61
  FRAGMENT: sn-1
M_G1C5_M:
  ATOMNAME: C12
  FRAGMENT: sn-1
  SMILEIDX: 5
M_G1C5H1_M:
  ATOMNAME: H60
  FRAGMENT: sn-1
M_G1C5H2_M:
  ATOMNAME: H59
  FRAGMENT: sn-1
M_G1C6_M:
  ATOMNAME: C11
  FRAGMENT: sn-1
  SMILEIDX: 6
M_G1C6H1_M:
  ATOMNAME: H58
  FRAGMENT: sn-1
M_G1C6H2_M:
  ATOMNAME: H57
  FRAGMENT: sn-1
M_G1C7_M:
  ATOMNAME: C10
  FRAGMENT: sn-1
  SMILEIDX: 7
M_G1C7H1_M:
  ATOMNAME: H56
  FRAGMENT: sn-1
M_G1C7H2_M:
  ATOMNAME: H55
  FRAGMENT: sn-1
M_G1C8_M:
  ATOMNAME: CC9
  FRAGMENT: sn-1
  SMILEIDX: 8
M_G1C8H1_M:
  ATOMNAME: H54
  FRAGMENT: sn-1
M_G1C8H2_M:
  ATOMNAME: H53
  FRAGMENT: sn-1
M_G1C9_M:
  ATOMNAME: CC8
  FRAGMENT: sn-1
  SMILEIDX: 9
M_G1C9H1_M:
  ATOMNAME: H52
  FRAGMENT: sn-1
M_G1C9H2_M:
  ATOMNAME: H51
  FRAGMENT: sn-1
M_G1C10_M:
  ATOMNAME: CC7
  FRAGMENT: sn-1
  SMILEIDX: 10
M_G1C10H1_M:
  ATOMNAME: H50
  FRAGMENT: sn-1
M_G1C10H2_M:
  ATOMNAME: H49
  FRAGMENT: sn-1
M_G1C11_M:
  ATOMNAME: CC6
  FRAGMENT: sn-1
  SMILEIDX: 11
M_G1C11H1_M:
  ATOMNAME: H48
  FRAGMENT: sn-1
M_G1C11H2_M:
  ATOMNAME: H47
  FRAGMENT: sn-1
M_G1C12_M:
  ATOMNAME: CC5
  FRAGMENT: sn-1
  SMILEIDX: 12
M_G1C12H1_M:
  ATOMNAME: H46
  FRAGMENT: sn-1
M_G1C12H2_M:
  ATOMNAME: H45
  FRAGMENT: sn-1
M_G1C13_M:
  ATOMNAME: CC4
  FRAGMENT: sn-1
  SMILEIDX: 13
M_G1C13H1_M:
  ATOMNAME: H44
  FRAGMENT: sn-1
M_G1C13H2_M:
  ATOMNAME: H43
  FRAGMENT: sn-1
M_G1C14_M:
  ATOMNAME: CC3
  FRAGMENT: sn-1
  SMILEIDX: 14
M_G1C14H1_M:
  ATOMNAME: H42
  FRAGMENT: sn-1
M_G1C14H2_M:
  ATOMNAME: H41
  FRAGMENT: sn-1
M_G1C15_M:
  ATOMNAME: CC2
  FRAGMENT: sn-1
  SMILEIDX: 15
M_G1C15H1_M:
  ATOMNAME: H40
  FRAGMENT: sn-1
M_G1C15H2_M:
  ATOMNAME: H39
  FRAGMENT: sn-1
M_G1C16_M:
  ATOMNAME: CC1
  FRAGMENT: sn-1
  SMILEIDX: 16
M_G1C16H1_M:
  ATOMNAME: H38
  FRAGMENT: sn-1
M_G1C16H2_M:
  ATOMNAME: H37
  FRAGMENT: sn-1
M_G1C16H3_M:
  ATOMNAME: H36
  FRAGMENT: sn-1
M_G2C1_M:
  ATOMNAME: C18
  FRAGMENT: sn-2
  SMILEIDX: 17
M_G2C1H1_M:
  ATOMNAME: H70
  FRAGMENT: sn-2
M_G2C1H2_M:
  ATOMNAME: H69
  FRAGMENT: sn-2
M_G2C2_M:
  ATOMNAME: C19
  FRAGMENT: sn-2
  SMILEIDX: 18
M_G2C2H1_M:
  ATOMNAME: H71
  FRAGMENT: sn-2
M_G2C2H2_M:
  ATOMNAME: H72
  FRAGMENT: sn-2
M_G2C3_M:
  ATOMNAME: C20
  FRAGMENT: sn-2
  SMILEIDX: 19
M_G2C3H1_M:
  ATOMNAME: H73
  FRAGMENT: sn-2
M_G2C3H2_M:
  ATOMNAME: H74
  FRAGMENT: sn-2
M_G2C4_M:
  ATOMNAME: C21
  FRAGMENT: sn-2
  SMILEIDX: 20
M_G2C4H1_M:
  ATOMNAME: H75
  FRAGMENT: sn-2
M_G2C4H2_M:
  ATOMNAME: H76
  FRAGMENT: sn-2
M_G2C5_M:
  ATOMNAME: C22
  FRAGMENT: sn-2
  SMILEIDX: 21
M_G2C5H1_M:
  ATOMNAME: H77
  FRAGMENT: sn-2
M_G2C5H2_M:
  ATOMNAME: H78
  FRAGMENT: sn-2
M_G2C6_M:
  ATOMNAME: C23
  FRAGMENT: sn-2
  SMILEIDX: 22
M_G2C6H1_M:
  ATOMNAME: H79
  FRAGMENT: sn-2
M_G2C6H2_M:
  ATOMNAME: H80
  FRAGMENT: sn-2
M_G2C7_M:
  ATOMNAME: C24
  FRAGMENT: sn-2
  SMILEIDX: 23
M_G2C7H1_M:
  ATOMNAME: H81
  FRAGMENT: sn-2
M_G2C7H2_M:
  ATOMNAME: H82
  FRAGMENT: sn-2
M_G2C8_M:
  ATOMNAME: C25
  FRAGMENT: sn-2
  SMILEIDX: 24
M_G2C8H1_M:
  ATOMNAME: H83
  FRAGMENT: sn-2
M_G2C8H2_M:
  ATOMNAME: H84
  FRAGMENT: sn-2
M_G2C9_M:
  ATOMNAME: C26
  FRAGMENT: sn-2
  SMILEIDX: 25
M_G2C9H1_M:
  ATOMNAME: H85
  FRAGMENT: sn-2
M_G2C9H2_M:
  ATOMNAME: H86
  FRAGMENT: sn-2
M_G2C10_M:
  ATOMNAME: C27
  FRAGMENT: sn-2
  SMILEIDX: 26
M_G2C10H1_M:
  ATOMNAME: H87
  FRAGMENT: sn-2
M_G2C10H2_M:
  ATOMNAME: H88
  FRAGMENT: sn-2
M_G2C11_M:
  ATOMNAME: C28
  FRAGMENT: sn-2
  SMILEIDX: 27
M_G2C11H1_M:
  ATOMNAME: H89
  FRAGMENT: sn-2
M_G2C11H2_M:
  ATOMNAME: H90
  FRAGMENT: sn-2
M_G2C12_M:
  ATOMNAME: C29
  FRAGMENT: sn-2
  SMILEIDX: 28
M_G2C12H1_M:
  ATOMNAME: H91
  FRAGMENT: sn-2
M_G2C12H2_M:
  ATOMNAME: H92
  FRAGMENT: sn-2
M_G2C13_M:
  ATOMNAME: C30
  FRAGMENT: sn-2
  SMILEIDX: 29
M_G2C13H1_M:
  ATOMNAME: H93
  FRAGMENT: sn-2
M_G2C13H2_M:
  ATOMNAME: H94
  FRAGMENT: sn-2
M_G2C14_M:
  ATOMNAME: C31
  FRAGMENT: sn-2
  SMILEIDX: 30
M_G2C14H1_M:
  ATOMNAME: H95
  FRAGMENT: sn-2
M_G2C14H2_M:
  ATOMNAME: H96
  FRAGMENT: sn-2
M_G2C15_M:
  ATOMNAME: C32
  FRAGMENT: sn-2
  SMILEIDX: 31
M_G2C15H1_M:
  ATOMNAME: H97
  FRAGMENT: sn-2
M_G2C15H2_M:
  ATOMNAME: H98
  FRAGMENT: sn-2
M_G2C16_M:
  ATOMNAME: C33
  FRAGMENT: sn-2
  SMILEIDX: 32
M_G2C16H1_M:
  ATOMNAME: H99
  FRAGMENT: sn-2
M_G2C16H2_M:
  ATOMNAME: H100
  FRAGMENT: sn-2
M_G2C16H3_M:
  ATOMNAME: H101
  FRAGMENT: sn-2
M_N1_M:
  ATOMNAME: N17
  FRAGMENT: headgroup
  SMILEIDX: 0
M_N1C1_M:
  ATOMNAME: C34
  FRAGMENT: headgroup
  SMILEIDX: 34
M_N1C1H1_M:
  ATOMNAME: H102
  FRAGMENT: headgroup
M_N1C1H2_M:
  ATOMNAME: H103
  FRAGMENT: headgroup
M_N1C1H3_M:
  ATOMNAME: H104
  FRAGMENT: headgroup
M_N1C2_M:
  ATOMNAME: C35
  FRAGMENT: headgroup
  SMILEIDX: 33
M_N1C2H1_M:
  ATOMNAME: H105
  FRAGMENT: headgroup
M_N1C2H2_M:
  ATOMNAME: H106
  FRAGMENT: headgroup
M_N1C2H3_M:
  ATOMNAME: H107
  FRAGMENT: headgroup