bond/react: tiny polystyrene example (293e5c32) · Commits · 郑智淋 / lammps

examples/USER/misc/bond_react/tiny_polystyrene/2styrene_map

0 → 100644

+44 −0

Original line number	Diff line number	Diff line
		this is a map file

		0 edgeIDs
		32 equivalences

		BondingIDs

		4
		30

		Equivalences

		1 1
		2 2
		3 3
		4 4
		5 5
		6 6
		7 7
		8 8
		9 9
		10 10
		11 11
		12 12
		13 13
		14 14
		15 15
		16 16
		17 17
		18 18
		19 19
		20 20
		21 21
		22 22
		23 23
		24 24
		25 25
		26 26
		27 27
		28 28
		29 29
		30 30
		31 31
		32 32

examples/USER/misc/bond_react/tiny_polystyrene/2styrene_reacted.data_template

0 → 100644

+312 −0

Original line number	Diff line number	Diff line
		2styrene_reacted

		32 atoms
		33 bonds
		54 angles
		79 dihedrals
		22 impropers

		Types

		1 1
		2 2
		3 1
		4 5
		5 1
		6 2
		7 1
		8 2
		9 1
		10 2
		11 1
		12 2
		13 2
		14 6
		15 2
		16 2
		17 1
		18 2
		19 1
		20 5
		21 1
		22 2
		23 1
		24 2
		25 1
		26 2
		27 1
		28 2
		29 2
		30 6
		31 2
		32 2

		Charges

		1 -0.129000
		2 0.123700
		3 0.026600
		4 -0.018200
		5 -0.129000
		6 0.123700
		7 -0.173400
		8 0.140300
		9 -0.113400
		10 0.128800
		11 -0.173400
		12 0.140300
		13 0.051600
		14 -0.069600
		15 0.035400
		16 0.035400
		17 -0.129000
		18 0.123700
		19 0.026600
		20 -0.018200
		21 -0.129000
		22 0.123700
		23 -0.173400
		24 0.140300
		25 -0.113400
		26 0.128800
		27 -0.173400
		28 0.140300
		29 0.051600
		30 -0.069600
		31 0.035400
		32 0.035400

		Coords

		1 13.465810 0.682530 -1.658940
		2 14.397820 1.221530 -1.658940
		3 12.235820 1.392530 -1.658940
		4 12.235820 2.892530 -1.658940
		5 11.005820 0.682530 -1.658940
		6 10.073820 1.221530 -1.658940
		7 11.005820 -0.737470 -1.658940
		8 10.073820 -1.276460 -1.658940
		9 12.235820 -1.447460 -1.658940
		10 12.235820 -2.524470 -1.658940
		11 13.465810 -0.737470 -1.658940
		12 14.397820 -1.276460 -1.658940
		13 13.101820 3.297530 -1.301940
		14 10.957820 3.441530 -2.220940
		15 11.007810 4.183540 -2.319940
		16 10.314820 2.618530 -2.514940
		17 18.663521 0.855480 -1.372130
		18 19.595510 1.394480 -1.372130
		19 17.433510 1.565480 -1.372130
		20 17.433510 3.065480 -1.372130
		21 16.203510 0.855480 -1.372130
		22 15.271510 1.394480 -1.372130
		23 16.203510 -0.564520 -1.372130
		24 15.271510 -1.103520 -1.372130
		25 17.433510 -1.274520 -1.372130
		26 17.433510 -2.351520 -1.372130
		27 18.663521 -0.564520 -1.372130
		28 19.595510 -1.103520 -1.372130
		29 18.299509 3.470480 -1.015130
		30 16.155510 3.614480 -1.934130
		31 16.205509 4.356480 -2.033130
		32 15.512510 2.791480 -2.228130

		Bonds

		1 1 1 2
		2 2 1 3
		3 2 1 11
		4 7 3 4
		5 2 3 5
		6 8 13 4
		7 9 4 14
		8 9 4 30
		9 1 5 6
		10 2 5 7
		11 1 7 8
		12 2 7 9
		13 1 9 10
		14 2 9 11
		15 1 11 12
		16 10 15 14
		17 10 16 14
		18 1 17 18
		19 2 17 19
		20 2 17 27
		21 7 19 20
		22 2 19 21
		23 8 29 20
		24 9 20 30
		25 1 21 22
		26 2 21 23
		27 1 23 24
		28 2 23 25
		29 1 25 26
		30 2 25 27
		31 1 27 28
		32 10 31 30
		33 10 32 30

		Angles

		1 1 3 1 2
		2 1 11 1 2
		3 2 3 1 11
		4 9 1 3 4
		5 2 1 3 5
		6 9 5 3 4
		7 10 3 4 13
		8 11 3 4 14
		9 11 3 4 30
		10 12 13 4 14
		11 12 13 4 30
		12 13 14 4 30
		13 1 3 5 6
		14 2 3 5 7
		15 1 7 5 6
		16 1 5 7 8
		17 2 5 7 9
		18 1 9 7 8
		19 1 7 9 10
		20 2 7 9 11
		21 1 11 9 10
		22 2 1 11 9
		23 1 1 11 12
		24 1 9 11 12
		25 14 15 14 4
		26 14 16 14 4
		27 15 15 14 16
		28 1 19 17 18
		29 1 27 17 18
		30 2 19 17 27
		31 9 17 19 20
		32 2 17 19 21
		33 9 21 19 20
		34 10 19 20 29
		35 11 19 20 30
		36 12 29 20 30
		37 1 19 21 22
		38 2 19 21 23
		39 1 23 21 22
		40 1 21 23 24
		41 2 21 23 25
		42 1 25 23 24
		43 1 23 25 26
		44 2 23 25 27
		45 1 27 25 26
		46 2 17 27 25
		47 1 17 27 28
		48 1 25 27 28
		49 16 4 30 20
		50 14 31 30 4
		51 14 32 30 4
		52 14 31 30 20
		53 14 32 30 20
		54 15 31 30 32

		Dihedrals

		1 10 2 1 3 4
		2 2 5 3 1 2
		3 11 11 1 3 4
		4 4 11 1 3 5
		5 2 9 11 1 2
		6 5 2 1 11 12
		7 4 3 1 11 9
		8 2 3 1 11 12
		9 12 1 3 4 13
		10 13 1 3 4 14
		11 13 1 3 4 30
		12 12 5 3 4 13
		13 13 5 3 4 14
		14 13 5 3 4 30
		15 2 1 3 5 6
		16 4 1 3 5 7
		17 10 6 5 3 4
		18 11 7 5 3 4
		19 14 3 4 14 15
		20 14 3 4 14 16
		21 15 13 4 14 15
		22 15 13 4 14 16
		23 16 30 4 14 15
		24 16 30 4 14 16
		25 17 3 4 30 20
		26 14 3 4 30 31
		27 14 3 4 30 32
		28 18 13 4 30 20
		29 15 13 4 30 31
		30 15 13 4 30 32
		31 19 14 4 30 20
		32 16 14 4 30 31
		33 16 14 4 30 32
		34 2 3 5 7 8
		35 4 3 5 7 9
		36 5 6 5 7 8
		37 2 9 7 5 6
		38 2 5 7 9 10
		39 4 5 7 9 11
		40 5 8 7 9 10
		41 2 11 9 7 8
		42 4 7 9 11 1
		43 2 7 9 11 12
		44 2 1 11 9 10
		45 5 10 9 11 12
		46 10 18 17 19 20
		47 2 21 19 17 18
		48 11 27 17 19 20
		49 4 27 17 19 21
		50 2 25 27 17 18
		51 5 18 17 27 28
		52 4 19 17 27 25
		53 2 19 17 27 28
		54 12 17 19 20 29
		55 13 17 19 20 30
		56 12 21 19 20 29
		57 13 21 19 20 30
		58 2 17 19 21 22
		59 4 17 19 21 23
		60 10 22 21 19 20
		61 11 23 21 19 20
		62 17 19 20 30 4
		63 14 19 20 30 31
		64 14 19 20 30 32
		65 18 29 20 30 4
		66 15 29 20 30 31
		67 15 29 20 30 32
		68 2 19 21 23 24
		69 4 19 21 23 25
		70 5 22 21 23 24
		71 2 25 23 21 22
		72 2 21 23 25 26
		73 4 21 23 25 27
		74 5 24 23 25 26
		75 2 27 25 23 24
		76 4 23 25 27 17
		77 2 23 25 27 28
		78 2 17 27 25 26
		79 5 26 25 27 28

		Impropers

		1 1 3 1 11 2
		2 5 1 3 5 4
		3 1 3 5 7 6
		4 1 5 7 9 8
		5 1 7 9 11 10
		6 1 1 11 9 12
		7 6 15 14 16 4
		8 1 19 17 27 18
		9 5 17 19 21 20
		10 7 19 20 29 30
		11 1 19 21 23 22
		12 1 21 23 25 24
		13 1 23 25 27 26
		14 1 17 27 25 28
		15 1 3 4 13 14
		16 1 3 4 13 30
		17 1 3 4 14 30
		18 1 13 4 14 30
		19 1 31 30 20 4
		20 1 32 30 20 4
		21 1 31 30 32 4
		22 1 31 30 32 20

examples/USER/misc/bond_react/tiny_polystyrene/2styrene_unreacted.data_template

0 → 100644

+284 −0

Original line number	Diff line number	Diff line
		2styrene_unreacted

		32 atoms
		32 bonds
		48 angles
		64 dihedrals
		16 impropers

		Types

		1 1
		2 2
		3 1
		4 3
		5 1
		6 2
		7 1
		8 2
		9 1
		10 2
		11 1
		12 2
		13 2
		14 4
		15 2
		16 2
		17 1
		18 2
		19 1
		20 3
		21 1
		22 2
		23 1
		24 2
		25 1
		26 2
		27 1
		28 2
		29 2
		30 4
		31 2
		32 2

		Charges

		1 -0.129000
		2 0.123700
		3 0.026600
		4 -0.018200
		5 -0.129000
		6 0.123700
		7 -0.173400
		8 0.140300
		9 -0.113400
		10 0.128800
		11 -0.173400
		12 0.140300
		13 0.051600
		14 -0.069600
		15 0.035400
		16 0.035400
		17 -0.129000
		18 0.123700
		19 0.026600
		20 -0.018200
		21 -0.129000
		22 0.123700
		23 -0.173400
		24 0.140300
		25 -0.113400
		26 0.128800
		27 -0.173400
		28 0.140300
		29 0.051600
		30 -0.069600
		31 0.035400
		32 0.035400

		Coords

		1 13.465815 0.682534 -1.658941
		2 14.397816 1.221534 -1.658941
		3 12.235815 1.392534 -1.658941
		4 12.235815 2.892534 -1.658941
		5 11.005816 0.682534 -1.658941
		6 10.073815 1.221534 -1.658941
		7 11.005816 -0.737466 -1.658941
		8 10.073815 -1.276465 -1.658941
		9 12.235815 -1.447465 -1.658941
		10 12.235815 -2.524465 -1.658941
		11 13.465815 -0.737466 -1.658941
		12 14.397816 -1.276465 -1.658941
		13 13.101815 3.297535 -1.301941
		14 10.957815 3.441535 -2.220941
		15 11.007814 4.183536 -2.319941
		16 10.314816 2.618534 -2.514940
		17 18.663515 0.855482 -1.372128
		18 19.595514 1.394482 -1.372128
		19 17.433512 1.565481 -1.372128
		20 17.433512 3.065482 -1.372128
		21 16.203512 0.855482 -1.372128
		22 15.271511 1.394482 -1.372128
		23 16.203512 -0.564518 -1.372128
		24 15.271511 -1.103518 -1.372128
		25 17.433512 -1.274518 -1.372128
		26 17.433512 -2.351518 -1.372128
		27 18.663515 -0.564518 -1.372128
		28 19.595514 -1.103518 -1.372128
		29 18.299513 3.470482 -1.015128
		30 16.155512 3.614482 -1.934128
		31 16.205513 4.356482 -2.033128
		32 15.512512 2.791482 -2.228127

		Bonds

		1 1 1 2
		2 2 1 3
		3 2 1 11
		4 3 3 4
		5 2 3 5
		6 4 13 4
		7 5 4 14
		8 1 5 6
		9 2 5 7
		10 1 7 8
		11 2 7 9
		12 1 9 10
		13 2 9 11
		14 1 11 12
		15 6 15 14
		16 6 16 14
		17 1 17 18
		18 2 17 19
		19 2 17 27
		20 3 19 20
		21 2 19 21
		22 4 29 20
		23 5 20 30
		24 1 21 22
		25 2 21 23
		26 1 23 24
		27 2 23 25
		28 1 25 26
		29 2 25 27
		30 1 27 28
		31 6 31 30
		32 6 32 30

		Angles

		1 1 3 1 2
		2 1 11 1 2
		3 2 3 1 11
		4 3 1 3 4
		5 2 1 3 5
		6 3 5 3 4
		7 4 3 4 13
		8 5 3 4 14
		9 6 13 4 14
		10 1 3 5 6
		11 2 3 5 7
		12 1 7 5 6
		13 1 5 7 8
		14 2 5 7 9
		15 1 9 7 8
		16 1 7 9 10
		17 2 7 9 11
		18 1 11 9 10
		19 2 1 11 9
		20 1 1 11 12
		21 1 9 11 12
		22 7 15 14 4
		23 7 16 14 4
		24 8 15 14 16
		25 1 19 17 18
		26 1 27 17 18
		27 2 19 17 27
		28 3 17 19 20
		29 2 17 19 21
		30 3 21 19 20
		31 4 19 20 29
		32 5 19 20 30
		33 6 29 20 30
		34 1 19 21 22
		35 2 19 21 23
		36 1 23 21 22
		37 1 21 23 24
		38 2 21 23 25
		39 1 25 23 24
		40 1 23 25 26
		41 2 23 25 27
		42 1 27 25 26
		43 2 17 27 25
		44 1 17 27 28
		45 1 25 27 28
		46 7 31 30 20
		47 7 32 30 20
		48 8 31 30 32

		Dihedrals

		1 1 2 1 3 4
		2 2 5 3 1 2
		3 3 11 1 3 4
		4 4 11 1 3 5
		5 2 9 11 1 2
		6 5 2 1 11 12
		7 4 3 1 11 9
		8 2 3 1 11 12
		9 6 1 3 4 13
		10 7 1 3 4 14
		11 6 5 3 4 13
		12 7 5 3 4 14
		13 2 1 3 5 6
		14 4 1 3 5 7
		15 1 6 5 3 4
		16 3 7 5 3 4
		17 8 3 4 14 15
		18 8 3 4 14 16
		19 9 13 4 14 15
		20 9 13 4 14 16
		21 2 3 5 7 8
		22 4 3 5 7 9
		23 5 6 5 7 8
		24 2 9 7 5 6
		25 2 5 7 9 10
		26 4 5 7 9 11
		27 5 8 7 9 10
		28 2 11 9 7 8
		29 4 7 9 11 1
		30 2 7 9 11 12
		31 2 1 11 9 10
		32 5 10 9 11 12
		33 1 18 17 19 20
		34 2 21 19 17 18
		35 3 27 17 19 20
		36 4 27 17 19 21
		37 2 25 27 17 18
		38 5 18 17 27 28
		39 4 19 17 27 25
		40 2 19 17 27 28
		41 6 17 19 20 29
		42 7 17 19 20 30
		43 6 21 19 20 29
		44 7 21 19 20 30
		45 2 17 19 21 22
		46 4 17 19 21 23
		47 1 22 21 19 20
		48 3 23 21 19 20
		49 8 19 20 30 31
		50 8 19 20 30 32
		51 9 29 20 30 31
		52 9 29 20 30 32
		53 2 19 21 23 24
		54 4 19 21 23 25
		55 5 22 21 23 24
		56 2 25 23 21 22
		57 2 21 23 25 26
		58 4 21 23 25 27
		59 5 24 23 25 26
		60 2 27 25 23 24
		61 4 23 25 27 17
		62 2 23 25 27 28
		63 2 17 27 25 26
		64 5 26 25 27 28

		Impropers

		1 1 3 1 11 2
		2 2 1 3 5 4
		3 3 3 4 13 14
		4 1 3 5 7 6
		5 1 5 7 9 8
		6 1 7 9 11 10
		7 1 1 11 9 12
		8 4 15 14 16 4
		9 1 19 17 27 18
		10 2 17 19 21 20
		11 3 19 20 29 30
		12 1 19 21 23 22
		13 1 21 23 25 24
		14 1 23 25 27 26
		15 1 17 27 25 28
		16 4 31 30 32 20

examples/USER/misc/bond_react/tiny_polystyrene/chain_chain_map

0 → 100644

+67 −0

Original line number	Diff line number	Diff line
		this is a map file

		2 edgeIDs
		50 equivalences

		EdgeIDs

		17
		34

		BondingIDs

		14
		38

		Equivalences

		1 1
		2 2
		3 3
		4 4
		5 5
		6 6
		7 7
		8 8
		9 9
		10 10
		11 11
		12 12
		13 13
		14 14
		15 15
		16 16
		17 17
		18 18
		19 19
		20 20
		21 21
		22 22
		23 23
		24 24
		25 25
		26 26
		27 27
		28 28
		29 29
		30 30
		31 31
		32 32
		33 33
		34 34
		35 35
		36 36
		37 37
		38 38
		39 39
		40 40
		41 41
		42 42
		43 43
		44 44
		45 45
		46 46
		47 47
		48 48
		49 49
		50 50

examples/USER/misc/bond_react/tiny_polystyrene/chain_chain_reacted.data_template

0 → 100644

+497 −0

Original line number	Diff line number	Diff line
		chain_chain_reacted

		50 atoms
		52 bonds
		90 angles
		135 dihedrals
		42 impropers

		Types

		1 1
		2 2
		3 1
		4 5
		5 1
		6 2
		7 1
		8 2
		9 1
		10 2
		11 1
		12 2
		13 2
		14 6
		15 2
		16 2
		17 5
		18 6
		19 2
		20 2
		21 1
		22 2
		23 1
		24 5
		25 1
		26 2
		27 1
		28 2
		29 1
		30 2
		31 1
		32 2
		33 2
		34 6
		35 1
		36 2
		37 1
		38 5
		39 1
		40 2
		41 1
		42 2
		43 1
		44 2
		45 1
		46 2
		47 2
		48 6
		49 2
		50 2

		Charges

		1 -0.129000
		2 0.123700
		3 0.026600
		4 -0.018200
		5 -0.129000
		6 0.123700
		7 -0.173400
		8 0.140300
		9 -0.113400
		10 0.128800
		11 -0.173400
		12 0.140300
		13 0.051600
		14 -0.069600
		15 0.035400
		16 0.035400
		17 -0.018200
		18 -0.069600
		19 0.035400
		20 0.035400
		21 -0.129000
		22 0.123700
		23 0.026600
		24 -0.018200
		25 -0.129000
		26 0.123700
		27 -0.173400
		28 0.140300
		29 -0.113400
		30 0.128800
		31 -0.173400
		32 0.140300
		33 0.051600
		34 -0.069600
		35 -0.129000
		36 0.123700
		37 0.026600
		38 -0.018200
		39 -0.129000
		40 0.123700
		41 -0.173400
		42 0.140300
		43 -0.113400
		44 0.128800
		45 -0.173400
		46 0.140300
		47 0.051600
		48 -0.069600
		49 0.035400
		50 0.035400

		Coords

		1 24.391510 0.871570 -1.658940
		2 25.323530 1.410570 -1.658940
		3 23.161520 1.581570 -1.658940
		4 23.161520 3.081570 -1.658940
		5 21.931530 0.871570 -1.658940
		6 20.999531 1.410570 -1.658940
		7 21.931530 -0.548430 -1.658940
		8 20.999531 -1.087420 -1.658940
		9 23.161520 -1.258420 -1.658940
		10 23.161520 -2.335430 -1.658940
		11 24.391510 -0.548430 -1.658940
		12 25.323530 -1.087420 -1.658940
		13 24.027519 3.486570 -1.301940
		14 21.883520 3.630570 -2.220940
		15 21.933510 4.372580 -2.319940
		16 21.240520 2.807570 -2.514940
		17 28.359209 3.254520 -1.372130
		18 27.081209 3.803520 -1.934130
		19 27.131210 4.545520 -2.033130
		20 26.438219 2.980520 -2.228130
		21 13.465810 0.682530 -1.658940
		22 14.397820 1.221530 -1.658940
		23 12.235820 1.392530 -1.658940
		24 12.235820 2.892530 -1.658940
		25 11.005820 0.682530 -1.658940
		26 10.073820 1.221530 -1.658940
		27 11.005820 -0.737470 -1.658940
		28 10.073820 -1.276460 -1.658940
		29 12.235820 -1.447460 -1.658940
		30 12.235820 -2.524470 -1.658940
		31 13.465810 -0.737470 -1.658940
		32 14.397820 -1.276460 -1.658940
		33 13.101820 3.297530 -1.301940
		34 10.957820 3.441530 -2.220940
		35 18.663521 0.855480 -1.372130
		36 19.595510 1.394480 -1.372130
		37 17.433510 1.565480 -1.372130
		38 17.433510 3.065480 -1.372130
		39 16.203510 0.855480 -1.372130
		40 15.271510 1.394480 -1.372130
		41 16.203510 -0.564520 -1.372130
		42 15.271510 -1.103520 -1.372130
		43 17.433510 -1.274520 -1.372130
		44 17.433510 -2.351520 -1.372130
		45 18.663521 -0.564520 -1.372130
		46 19.595510 -1.103520 -1.372130
		47 18.299509 3.470480 -1.015130
		48 16.155510 3.614480 -1.934130
		49 16.205509 4.356480 -2.033130
		50 15.512510 2.791480 -2.228130

		Bonds

		1 1 1 2
		2 2 1 3
		3 2 1 11
		4 7 3 4
		5 2 3 5
		6 8 13 4
		7 9 4 14
		8 9 4 18
		9 1 5 6
		10 2 5 7
		11 1 7 8
		12 2 7 9
		13 1 9 10
		14 2 9 11
		15 1 11 12
		16 10 15 14
		17 10 16 14
		18 9 38 14
		19 9 17 18
		20 10 19 18
		21 10 20 18
		22 1 21 22
		23 2 21 23
		24 2 21 31
		25 7 23 24
		26 2 23 25
		27 8 33 24
		28 9 24 34
		29 9 24 48
		30 1 25 26
		31 2 25 27
		32 1 27 28
		33 2 27 29
		34 1 29 30
		35 2 29 31
		36 1 31 32
		37 1 35 36
		38 2 35 37
		39 2 35 45
		40 7 37 38
		41 2 37 39
		42 8 47 38
		43 9 38 48
		44 1 39 40
		45 2 39 41
		46 1 41 42
		47 2 41 43
		48 1 43 44
		49 2 43 45
		50 1 45 46
		51 10 49 48
		52 10 50 48

		Angles

		1 1 3 1 2
		2 1 11 1 2
		3 2 3 1 11
		4 9 1 3 4
		5 2 1 3 5
		6 9 5 3 4
		7 10 3 4 13
		8 11 3 4 14
		9 11 3 4 18
		10 12 13 4 14
		11 12 13 4 18
		12 13 14 4 18
		13 1 3 5 6
		14 2 3 5 7
		15 1 7 5 6
		16 1 5 7 8
		17 2 5 7 9
		18 1 9 7 8
		19 1 7 9 10
		20 2 7 9 11
		21 1 11 9 10
		22 2 1 11 9
		23 1 1 11 12
		24 1 9 11 12
		25 14 15 14 4
		26 14 16 14 4
		27 16 4 14 38
		28 15 15 14 16
		29 14 15 14 38
		30 14 16 14 38
		31 16 4 18 17
		32 14 19 18 4
		33 14 20 18 4
		34 14 19 18 17
		35 14 20 18 17
		36 15 19 18 20
		37 1 23 21 22
		38 1 31 21 22
		39 2 23 21 31
		40 9 21 23 24
		41 2 21 23 25
		42 9 25 23 24
		43 10 23 24 33
		44 11 23 24 34
		45 11 23 24 48
		46 12 33 24 34
		47 12 33 24 48
		48 13 34 24 48
		49 1 23 25 26
		50 2 23 25 27
		51 1 27 25 26
		52 1 25 27 28
		53 2 25 27 29
		54 1 29 27 28
		55 1 27 29 30
		56 2 27 29 31
		57 1 31 29 30
		58 2 21 31 29
		59 1 21 31 32
		60 1 29 31 32
		61 1 37 35 36
		62 1 45 35 36
		63 2 37 35 45
		64 9 35 37 38
		65 2 35 37 39
		66 9 39 37 38
		67 11 37 38 14
		68 12 47 38 14
		69 13 14 38 48
		70 10 37 38 47
		71 11 37 38 48
		72 12 47 38 48
		73 1 37 39 40
		74 2 37 39 41
		75 1 41 39 40
		76 1 39 41 42
		77 2 39 41 43
		78 1 43 41 42
		79 1 41 43 44
		80 2 41 43 45
		81 1 45 43 44
		82 2 35 45 43
		83 1 35 45 46
		84 1 43 45 46
		85 16 24 48 38
		86 14 49 48 24
		87 14 50 48 24
		88 14 49 48 38
		89 14 50 48 38
		90 15 49 48 50

		Dihedrals

		1 10 2 1 3 4
		2 2 5 3 1 2
		3 11 11 1 3 4
		4 4 11 1 3 5
		5 2 9 11 1 2
		6 5 2 1 11 12
		7 4 3 1 11 9
		8 2 3 1 11 12
		9 12 1 3 4 13
		10 13 1 3 4 14
		11 13 1 3 4 18
		12 12 5 3 4 13
		13 13 5 3 4 14
		14 13 5 3 4 18
		15 2 1 3 5 6
		16 4 1 3 5 7
		17 10 6 5 3 4
		18 11 7 5 3 4
		19 14 3 4 14 15
		20 14 3 4 14 16
		21 17 3 4 14 38
		22 15 13 4 14 15
		23 15 13 4 14 16
		24 18 13 4 14 38
		25 16 18 4 14 15
		26 16 18 4 14 16
		27 19 18 4 14 38
		28 17 3 4 18 17
		29 14 3 4 18 19
		30 14 3 4 18 20
		31 18 13 4 18 17
		32 15 13 4 18 19
		33 15 13 4 18 20
		34 19 14 4 18 17
		35 16 14 4 18 19
		36 16 14 4 18 20
		37 2 3 5 7 8
		38 4 3 5 7 9
		39 5 6 5 7 8
		40 2 9 7 5 6
		41 2 5 7 9 10
		42 4 5 7 9 11
		43 5 8 7 9 10
		44 2 11 9 7 8
		45 4 7 9 11 1
		46 2 7 9 11 12
		47 2 1 11 9 10
		48 5 10 9 11 12
		49 17 37 38 14 4
		50 18 47 38 14 4
		51 19 48 38 14 4
		52 14 37 38 14 15
		53 15 47 38 14 15
		54 16 48 38 14 15
		55 14 37 38 14 16
		56 15 47 38 14 16
		57 16 48 38 14 16
		58 10 22 21 23 24
		59 2 25 23 21 22
		60 11 31 21 23 24
		61 4 31 21 23 25
		62 2 29 31 21 22
		63 5 22 21 31 32
		64 4 23 21 31 29
		65 2 23 21 31 32
		66 12 21 23 24 33
		67 13 21 23 24 34
		68 13 21 23 24 48
		69 12 25 23 24 33
		70 13 25 23 24 34
		71 13 25 23 24 48
		72 2 21 23 25 26
		73 4 21 23 25 27
		74 10 26 25 23 24
		75 11 27 25 23 24
		76 17 23 24 48 38
		77 14 23 24 48 49
		78 14 23 24 48 50
		79 18 33 24 48 38
		80 15 33 24 48 49
		81 15 33 24 48 50
		82 19 34 24 48 38
		83 16 34 24 48 49
		84 16 34 24 48 50
		85 2 23 25 27 28
		86 4 23 25 27 29
		87 5 26 25 27 28
		88 2 29 27 25 26
		89 2 25 27 29 30
		90 4 25 27 29 31
		91 5 28 27 29 30
		92 2 31 29 27 28
		93 4 27 29 31 21
		94 2 27 29 31 32
		95 2 21 31 29 30
		96 5 30 29 31 32
		97 10 36 35 37 38
		98 2 39 37 35 36
		99 11 45 35 37 38
		100 4 45 35 37 39
		101 2 43 45 35 36
		102 5 36 35 45 46
		103 4 37 35 45 43
		104 2 37 35 45 46
		105 13 35 37 38 14
		106 12 35 37 38 47
		107 13 35 37 38 48
		108 13 39 37 38 14
		109 12 39 37 38 47
		110 13 39 37 38 48
		111 2 35 37 39 40
		112 4 35 37 39 41
		113 10 40 39 37 38
		114 11 41 39 37 38
		115 19 14 38 48 24
		116 16 14 38 48 49
		117 16 14 38 48 50
		118 17 37 38 48 24
		119 14 37 38 48 49
		120 14 37 38 48 50
		121 18 47 38 48 24
		122 15 47 38 48 49
		123 15 47 38 48 50
		124 2 37 39 41 42
		125 4 37 39 41 43
		126 5 40 39 41 42
		127 2 43 41 39 40
		128 2 39 41 43 44
		129 4 39 41 43 45
		130 5 42 41 43 44
		131 2 45 43 41 42
		132 4 41 43 45 35
		133 2 41 43 45 46
		134 2 35 45 43 44
		135 5 44 43 45 46

		Impropers

		1 1 3 1 11 2
		2 5 1 3 5 4
		3 1 3 5 7 6
		4 1 5 7 9 8
		5 1 7 9 11 10
		6 1 1 11 9 12
		7 1 23 21 31 22
		8 5 21 23 25 24
		9 1 23 25 27 26
		10 1 25 27 29 28
		11 1 27 29 31 30
		12 1 21 31 29 32
		13 1 37 35 45 36
		14 5 35 37 39 38
		15 1 37 39 41 40
		16 1 39 41 43 42
		17 1 41 43 45 44
		18 1 35 45 43 46
		19 1 3 4 13 14
		20 1 3 4 13 18
		21 1 3 4 14 18
		22 1 13 4 14 18
		23 1 15 14 16 4
		24 1 15 14 4 38
		25 1 16 14 4 38
		26 1 15 14 16 38
		27 1 19 18 17 4
		28 1 20 18 17 4
		29 1 19 18 20 4
		30 1 19 18 20 17
		31 1 23 24 33 34
		32 1 23 24 33 48
		33 1 23 24 34 48
		34 1 33 24 34 48
		35 1 37 38 47 14
		36 1 37 38 14 48
		37 1 47 38 14 48
		38 1 37 38 47 48
		39 1 49 48 38 24
		40 1 50 48 38 24
		41 1 49 48 50 24
		42 1 49 48 50 38

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