; Force field (FF) parameters for DPPG (1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol)) ; Use together with "forcefield.ff" (available at http://people.su.se/~jjm or ; on http://www.gromacs.org/Downloads/User_contributions/Force_fields) ; Can be used togther with the AMBER99SB/AMBER99SB-ILDN/AMBER03 FF for proteins ; ; For support/suggestions or whatever: joakim.jambeck@mmk.su.se/joakim.jambeck@gmail.com or lyuba.mmk.su.se ; ; !!!! MAKE SURE YOU CITE THE FOLLOWING REFERENCES WHEN USING THIS FORCE FIELD !!!! ; ; Joakim P. M. Jämbeck and Alexander P. Lyubertsev, "Derivation and Systematic Validation of ; a Refined All-Atom Force Field for Phosphatidylcholine Lipids", ; J. Phys. Chem. B, 2012, 116, 3164-3179 ; ; and ; ; Joakim P. M. Jämbeck and Alexander P. Lyubertsev, "An Extension and Further Validation of an All-Atomistic Force Field ; for Biological Membranes" ; J. Chem. Theory Comput., 8, 2938-2948 ; ; and ; Joakim P. M. Jämbeck and Alexander P. Lyubertsev, "Another Piece of the Membrane Puzzle: Extending Slipids Further" ; J. Chem. Theory Comput., DOI: 10.1021/ct300777p [ moleculetype ] ; Name nrexcl DPPG 3 [ atoms ] ; nr type resnr residue atom cgnr charge mass 1 CTL2 1 DPPG C13 1 0.03 12.011 2 HAL2 1 DPPG H13A 2 0.06 1.008 3 HAL2 1 DPPG H13B 3 0.06 1.008 4 OHL 1 DPPG OC3 4 -0.60 15.9994 5 HOL 1 DPPG HO3 5 0.44 1.008 6 CTL1 1 DPPG C12 6 0.10 12.011 7 HAL1 1 DPPG H12A 7 0.06 1.008 8 OHL 1 DPPG OC2 8 -0.58 15.9994 9 HOL 1 DPPG HO2 9 0.39 1.008 10 CTL2 1 DPPG C11 10 -0.08 12.011 11 HAL2 1 DPPG H11A 11 0.08 1.008 12 HAL2 1 DPPG H11B 12 0.08 1.008 13 PL 1 DPPG P 13 1.38 30.974 14 O2L 1 DPPG O13 14 -0.86 15.9994 15 O2L 1 DPPG O14 15 -0.86 15.9994 16 OSLP 1 DPPG O12 16 -0.47 15.9994 17 OSLP 1 DPPG O11 17 -0.49 15.9994 18 CTL2 1 DPPG C1 18 -0.10 12.011 19 HAL2 1 DPPG HA 19 0.08 1.008 20 HAL2 1 DPPG HB 20 0.08 1.008 21 CTL1 1 DPPG C2 21 0.47 12.011 22 HAL1 1 DPPG HS 22 0.07 1.008 23 OSL 1 DPPG O21 23 -0.47 15.9994 24 CL 1 DPPG C21 24 0.79 12.011 25 OBL 1 DPPG O22 25 -0.65 15.9994 26 CTL2 1 DPPG C22 26 -0.06 12.011 27 HAL2 1 DPPG H2R 27 0.03 1.008 28 HAL2 1 DPPG H2S 28 0.03 1.008 29 CTL2 1 DPPG C3 29 0.20 12.011 30 HAL2 1 DPPG HX 30 0.06 1.008 31 HAL2 1 DPPG HY 31 0.06 1.008 32 OSL 1 DPPG O31 32 -0.47 15.9994 33 CL 1 DPPG C31 33 0.79 12.011 34 OBL 1 DPPG O32 34 -0.65 15.9994 35 CTL2 1 DPPG C32 35 -0.06 12.011 36 HAL2 1 DPPG H2X 36 0.03 1.008 37 HAL2 1 DPPG H2Y 37 0.03 1.008 38 CTL2 1 DPPG C23 38 0.0 12.011 39 HAL2 1 DPPG H3R 39 0.0 1.008 40 HAL2 1 DPPG H3S 40 0.0 1.008 41 CTL2 1 DPPG C24 41 0.0 12.011 42 HAL2 1 DPPG H4R 42 0.0 1.008 43 HAL2 1 DPPG H4S 43 0.0 1.008 44 CTL2 1 DPPG C25 44 0.0 12.011 45 HAL2 1 DPPG H5R 45 0.0 1.008 46 HAL2 1 DPPG H5S 46 0.0 1.008 ; 47 CTL2 1 DPPG C26 47 0.0 12.011 48 HAL2 1 DPPG H6R 48 0.0 1.008 49 HAL2 1 DPPG H6S 49 0.0 1.008 50 CTL2 1 DPPG C27 50 0.0 12.011 ; 51 HAL2 1 DPPG H7R 51 0.0 1.008 52 HAL2 1 DPPG H7S 52 0.0 1.008 53 CTL2 1 DPPG C28 53 0.0 12.011 54 HAL2 1 DPPG H8R 54 0.0 1.008 55 HAL2 1 DPPG H8S 55 0.0 1.008 56 CTL2 1 DPPG C29 56 0.0 12.011 57 HAL2 1 DPPG H9R 57 0.0 1.008 58 HAL2 1 DPPG H9S 58 0.0 1.008 59 CTL2 1 DPPG C210 59 0.0 12.011 60 HAL2 1 DPPG H10R 60 0.0 1.008 61 HAL2 1 DPPG H10S 61 0.0 1.008 62 CTL2 1 DPPG C211 62 0.0 12.011 63 HAL2 1 DPPG H11R 63 0.0 1.008 64 HAL2 1 DPPG H11S 64 0.0 1.008 65 CTL2 1 DPPG C212 65 0.0 12.011 66 HAL2 1 DPPG H12R 66 0.0 1.008 67 HAL2 1 DPPG H12S 67 0.0 1.008 68 CTL2 1 DPPG C213 68 0.0 12.011 69 HAL2 1 DPPG H13R 69 0.0 1.008 70 HAL2 1 DPPG H13S 70 0.0 1.008 71 CTL2 1 DPPG C214 71 0.0 12.011 72 HAL2 1 DPPG H14R 72 0.0 1.008 73 HAL2 1 DPPG H14S 73 0.0 1.008 74 CTL2 1 DPPG C215 74 0.047 12.011 75 HAL2 1 DPPG H15R 75 -0.007 1.008 76 HAL2 1 DPPG H15S 76 -0.007 1.008 77 CTL3 1 DPPG C216 77 -0.081 12.011 78 HAL3 1 DPPG H16R 78 0.016 1.008 79 HAL3 1 DPPG H16S 79 0.016 1.008 80 HAL3 1 DPPG H16T 80 0.016 1.008 81 CTL2 1 DPPG C33 81 0.0 12.011 82 HAL2 1 DPPG H3X 82 0.0 1.008 83 HAL2 1 DPPG H3Y 83 0.0 1.008 84 CTL2 1 DPPG C34 84 0.0 12.011 85 HAL2 1 DPPG H4X 85 0.0 1.008 86 HAL2 1 DPPG H4Y 86 0.0 1.008 87 CTL2 1 DPPG C35 87 0.0 12.011 88 HAL2 1 DPPG H5X 88 0.0 1.008 89 HAL2 1 DPPG H5Y 89 0.0 1.008 90 CTL2 1 DPPG C36 90 0.0 12.011 91 HAL2 1 DPPG H6X 91 0.0 1.008 92 HAL2 1 DPPG H6Y 92 0.0 1.008 93 CTL2 1 DPPG C37 93 0.0 12.011 94 HAL2 1 DPPG H7X 94 0.0 1.008 95 HAL2 1 DPPG H7Y 95 0.0 1.008 96 CTL2 1 DPPG C38 96 0.0 12.011 97 HAL2 1 DPPG H8X 97 0.0 1.008 98 HAL2 1 DPPG H8Y 98 0.0 1.008 99 CTL2 1 DPPG C39 99 0.0 12.011 100 HAL2 1 DPPG H9X 100 0.0 1.008 101 HAL2 1 DPPG H9Y 101 0.0 1.008 102 CTL2 1 DPPG C310 102 0.0 12.011 103 HAL2 1 DPPG H10X 103 0.0 1.008 104 HAL2 1 DPPG H10Y 104 0.0 1.008 105 CTL2 1 DPPG C311 105 0.0 12.011 106 HAL2 1 DPPG H11X 106 0.0 1.008 107 HAL2 1 DPPG H11Y 107 0.0 1.008 108 CTL2 1 DPPG C312 108 0.0 12.011 109 HAL2 1 DPPG H12X 109 0.0 1.008 110 HAL2 1 DPPG H12Y 110 0.0 1.008 111 CTL2 1 DPPG C313 111 0.0 12.011 112 HAL2 1 DPPG H13X 112 0.0 1.008 113 HAL2 1 DPPG H13Y 113 0.0 1.008 114 CTL2 1 DPPG C314 114 0.0 12.011 115 HAL2 1 DPPG H14X 115 0.0 1.008 116 HAL2 1 DPPG H14Y 116 0.0 1.008 117 CTL2 1 DPPG C315 117 0.047 12.011 118 HAL2 1 DPPG H15X 118 -0.007 1.008 119 HAL2 1 DPPG H15Y 119 -0.007 1.008 120 CTL3 1 DPPG C316 120 -0.081 12.011 121 HAL3 1 DPPG H16X 121 0.016 1.008 122 HAL3 1 DPPG H16Y 122 0.016 1.008 123 HAL3 1 DPPG H16Z 123 0.016 1.008 [ bonds ] ; ai aj funct c0 c1 c2 c3 1 2 1 1 3 1 1 4 1 1 6 1 4 5 1 6 7 1 6 8 1 6 10 1 8 9 1 10 11 1 10 12 1 10 16 1 13 14 1 13 15 1 13 16 1 13 17 1 17 18 1 18 19 1 18 20 1 18 21 1 21 22 1 21 23 1 21 29 1 23 24 1 24 25 1 24 26 1 26 27 1 26 28 1 26 38 1 29 30 1 29 31 1 29 32 1 32 33 1 33 34 1 33 35 1 35 36 1 35 37 1 35 81 1 38 39 1 38 40 1 38 41 1 41 42 1 41 43 1 41 44 1 44 45 1 44 46 1 44 47 1 47 48 1 47 49 1 47 50 1 50 51 1 50 52 1 50 53 1 53 54 1 53 55 1 53 56 1 56 57 1 56 58 1 56 59 1 59 60 1 59 61 1 59 62 1 62 63 1 62 64 1 62 65 1 65 66 1 65 67 1 65 68 1 68 69 1 68 70 1 68 71 1 71 72 1 71 73 1 71 74 1 74 75 1 74 76 1 74 77 1 77 78 1 77 79 1 77 80 1 81 82 1 81 83 1 81 84 1 84 85 1 84 86 1 84 87 1 87 88 1 87 89 1 87 90 1 90 91 1 90 92 1 90 93 1 93 94 1 93 95 1 93 96 1 96 97 1 96 98 1 96 99 1 99 100 1 99 101 1 99 102 1 102 103 1 102 104 1 102 105 1 105 106 1 105 107 1 105 108 1 108 109 1 108 110 1 108 111 1 111 112 1 111 113 1 111 114 1 114 115 1 114 116 1 114 117 1 117 118 1 117 119 1 117 120 1 120 121 1 120 122 1 120 123 1 [ pairs ] ; ai aj funct c0 c1 c2 c3 1 9 1 1 11 1 1 12 1 1 16 1 2 5 1 2 7 1 2 8 1 2 10 1 3 5 1 3 7 1 3 8 1 3 10 1 4 7 1 4 8 1 4 10 1 5 6 1 6 13 1 7 9 1 7 11 1 7 12 1 7 16 1 8 11 1 8 12 1 8 16 1 9 10 1 10 14 1 10 15 1 10 17 1 11 13 1 12 13 1 13 19 1 13 20 1 13 21 1 14 18 1 15 18 1 16 18 1 17 22 1 17 23 1 17 29 1 18 24 1 18 30 1 18 31 1 18 32 1 19 22 1 19 23 1 19 29 1 20 22 1 20 23 1 20 29 1 21 25 1 21 26 1 21 33 1 22 24 1 22 30 1 22 31 1 22 32 1 23 27 1 23 28 1 23 30 1 23 31 1 23 32 1 23 38 1 24 29 1 24 39 1 24 40 1 24 41 1 25 27 1 25 28 1 25 38 1 26 42 1 26 43 1 26 44 1 27 39 1 27 40 1 27 41 1 28 39 1 28 40 1 28 41 1 29 34 1 29 35 1 30 33 1 31 33 1 32 36 1 32 37 1 32 81 1 33 82 1 33 83 1 33 84 1 34 36 1 34 37 1 34 81 1 35 85 1 35 86 1 35 87 1 36 82 1 36 83 1 36 84 1 37 82 1 37 83 1 37 84 1 38 45 1 38 46 1 38 47 1 39 42 1 39 43 1 39 44 1 40 42 1 40 43 1 40 44 1 41 48 1 41 49 1 41 50 1 42 45 1 42 46 1 42 47 1 43 45 1 43 46 1 43 47 1 44 51 1 44 52 1 44 53 1 45 48 1 45 49 1 45 50 1 46 48 1 46 49 1 46 50 1 47 54 1 47 55 1 47 56 1 48 51 1 48 52 1 48 53 1 49 51 1 49 52 1 49 53 1 50 57 1 50 58 1 50 59 1 51 54 1 51 55 1 51 56 1 52 54 1 52 55 1 52 56 1 53 60 1 53 61 1 53 62 1 54 57 1 54 58 1 54 59 1 55 57 1 55 58 1 55 59 1 56 63 1 56 64 1 56 65 1 57 60 1 57 61 1 57 62 1 58 60 1 58 61 1 58 62 1 59 66 1 59 67 1 59 68 1 60 63 1 60 64 1 60 65 1 61 63 1 61 64 1 61 65 1 62 69 1 62 70 1 62 71 1 63 66 1 63 67 1 63 68 1 64 66 1 64 67 1 64 68 1 65 72 1 65 73 1 65 74 1 66 69 1 66 70 1 66 71 1 67 69 1 67 70 1 67 71 1 68 75 1 68 76 1 68 77 1 69 72 1 69 73 1 69 74 1 70 72 1 70 73 1 70 74 1 71 78 1 71 79 1 71 80 1 72 75 1 72 76 1 72 77 1 73 75 1 73 76 1 73 77 1 75 78 1 75 79 1 75 80 1 76 78 1 76 79 1 76 80 1 81 88 1 81 89 1 81 90 1 82 85 1 82 86 1 82 87 1 83 85 1 83 86 1 83 87 1 84 91 1 84 92 1 84 93 1 85 88 1 85 89 1 85 90 1 86 88 1 86 89 1 86 90 1 87 94 1 87 95 1 87 96 1 88 91 1 88 92 1 88 93 1 89 91 1 89 92 1 89 93 1 90 97 1 90 98 1 90 99 1 91 94 1 91 95 1 91 96 1 92 94 1 92 95 1 92 96 1 93 100 1 93 101 1 93 102 1 94 97 1 94 98 1 94 99 1 95 97 1 95 98 1 95 99 1 96 103 1 96 104 1 96 105 1 97 100 1 97 101 1 97 102 1 98 100 1 98 101 1 98 102 1 99 106 1 99 107 1 99 108 1 100 103 1 100 104 1 100 105 1 101 103 1 101 104 1 101 105 1 102 109 1 102 110 1 102 111 1 103 106 1 103 107 1 103 108 1 104 106 1 104 107 1 104 108 1 105 112 1 105 113 1 105 114 1 106 109 1 106 110 1 106 111 1 107 109 1 107 110 1 107 111 1 108 115 1 108 116 1 108 117 1 109 112 1 109 113 1 109 114 1 110 112 1 110 113 1 110 114 1 111 118 1 111 119 1 111 120 1 112 115 1 112 116 1 112 117 1 113 115 1 113 116 1 113 117 1 114 121 1 114 122 1 114 123 1 115 118 1 115 119 1 115 120 1 116 118 1 116 119 1 116 120 1 118 121 1 118 122 1 118 123 1 119 121 1 119 122 1 119 123 1 [ angles ] ; ai aj ak funct c0 c1 c2 c3 2 1 3 5 2 1 4 5 2 1 6 5 3 1 4 5 3 1 6 5 4 1 6 5 1 4 5 5 1 6 7 5 1 6 8 5 1 6 10 5 7 6 8 5 7 6 10 5 8 6 10 5 6 8 9 5 6 10 11 5 6 10 12 5 6 10 16 5 11 10 12 5 11 10 16 5 12 10 16 5 14 13 15 5 14 13 16 5 14 13 17 5 15 13 16 5 15 13 17 5 16 13 17 5 10 16 13 5 13 17 18 5 17 18 19 5 17 18 20 5 17 18 21 5 19 18 20 5 19 18 21 5 20 18 21 5 18 21 22 5 18 21 23 5 18 21 29 5 22 21 23 5 22 21 29 5 23 21 29 5 21 23 24 5 23 24 25 5 23 24 26 5 25 24 26 5 24 26 27 5 24 26 28 5 24 26 38 5 27 26 28 5 27 26 38 5 28 26 38 5 21 29 30 5 21 29 31 5 21 29 32 5 30 29 31 5 30 29 32 5 31 29 32 5 29 32 33 5 32 33 34 5 32 33 35 5 34 33 35 5 33 35 36 5 33 35 37 5 33 35 81 5 36 35 37 5 36 35 81 5 37 35 81 5 26 38 39 5 26 38 40 5 26 38 41 5 39 38 40 5 39 38 41 5 40 38 41 5 38 41 42 5 38 41 43 5 38 41 44 5 42 41 43 5 42 41 44 5 43 41 44 5 41 44 45 5 41 44 46 5 41 44 47 5 45 44 46 5 45 44 47 5 46 44 47 5 44 47 48 5 44 47 49 5 44 47 50 5 48 47 49 5 48 47 50 5 49 47 50 5 47 50 51 5 47 50 52 5 47 50 53 5 51 50 52 5 51 50 53 5 52 50 53 5 50 53 54 5 50 53 55 5 50 53 56 5 54 53 55 5 54 53 56 5 55 53 56 5 53 56 57 5 53 56 58 5 53 56 59 5 57 56 58 5 57 56 59 5 58 56 59 5 56 59 60 5 56 59 61 5 56 59 62 5 60 59 61 5 60 59 62 5 61 59 62 5 59 62 63 5 59 62 64 5 59 62 65 5 63 62 64 5 63 62 65 5 64 62 65 5 62 65 66 5 62 65 67 5 62 65 68 5 66 65 67 5 66 65 68 5 67 65 68 5 65 68 69 5 65 68 70 5 65 68 71 5 69 68 70 5 69 68 71 5 70 68 71 5 68 71 72 5 68 71 73 5 68 71 74 5 72 71 73 5 72 71 74 5 73 71 74 5 71 74 75 5 71 74 76 5 71 74 77 5 75 74 76 5 75 74 77 5 76 74 77 5 74 77 78 5 74 77 79 5 74 77 80 5 78 77 79 5 78 77 80 5 79 77 80 5 35 81 82 5 35 81 83 5 35 81 84 5 82 81 83 5 82 81 84 5 83 81 84 5 81 84 85 5 81 84 86 5 81 84 87 5 85 84 86 5 85 84 87 5 86 84 87 5 84 87 88 5 84 87 89 5 84 87 90 5 88 87 89 5 88 87 90 5 89 87 90 5 87 90 91 5 87 90 92 5 87 90 93 5 91 90 92 5 91 90 93 5 92 90 93 5 90 93 94 5 90 93 95 5 90 93 96 5 94 93 95 5 94 93 96 5 95 93 96 5 93 96 97 5 93 96 98 5 93 96 99 5 97 96 98 5 97 96 99 5 98 96 99 5 96 99 100 5 96 99 101 5 96 99 102 5 100 99 101 5 100 99 102 5 101 99 102 5 99 102 103 5 99 102 104 5 99 102 105 5 103 102 104 5 103 102 105 5 104 102 105 5 102 105 106 5 102 105 107 5 102 105 108 5 106 105 107 5 106 105 108 5 107 105 108 5 105 108 109 5 105 108 110 5 105 108 111 5 109 108 110 5 109 108 111 5 110 108 111 5 108 111 112 5 108 111 113 5 108 111 114 5 112 111 113 5 112 111 114 5 113 111 114 5 111 114 115 5 111 114 116 5 111 114 117 5 115 114 116 5 115 114 117 5 116 114 117 5 114 117 118 5 114 117 119 5 114 117 120 5 118 117 119 5 118 117 120 5 119 117 120 5 117 120 121 5 117 120 122 5 117 120 123 5 121 120 122 5 121 120 123 5 122 120 123 5 [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 c4 c5 2 1 4 5 9 3 1 4 5 9 6 1 4 5 9 2 1 6 7 9 2 1 6 8 9 2 1 6 10 9 3 1 6 7 9 3 1 6 8 9 3 1 6 10 9 4 1 6 7 9 4 1 6 8 9 4 1 6 10 9 1 6 8 9 9 7 6 8 9 9 10 6 8 9 9 1 6 10 11 9 1 6 10 12 9 1 6 10 16 9 7 6 10 11 9 7 6 10 12 9 7 6 10 16 9 8 6 10 11 9 8 6 10 12 9 8 6 10 16 9 6 10 16 13 9 11 10 16 13 9 12 10 16 13 9 14 13 16 10 9 15 13 16 10 9 17 13 16 10 9 14 13 17 18 9 15 13 17 18 9 16 13 17 18 9 13 17 18 19 9 13 17 18 20 9 13 17 18 21 9 17 18 21 22 9 17 18 21 23 9 17 18 21 29 9 19 18 21 22 9 19 18 21 23 9 19 18 21 29 9 20 18 21 22 9 20 18 21 23 9 20 18 21 29 9 18 21 23 24 9 22 21 23 24 9 29 21 23 24 9 18 21 29 30 9 18 21 29 31 9 18 21 29 32 9 22 21 29 30 9 22 21 29 31 9 22 21 29 32 9 23 21 29 30 9 23 21 29 31 9 23 21 29 32 9 21 23 24 25 9 21 23 24 26 9 23 24 26 27 9 23 24 26 28 9 23 24 26 38 9 25 24 26 27 9 25 24 26 28 9 25 24 26 38 9 24 26 38 39 9 24 26 38 40 9 24 26 38 41 9 27 26 38 39 9 27 26 38 40 9 27 26 38 41 9 28 26 38 39 9 28 26 38 40 9 28 26 38 41 9 21 29 32 33 9 30 29 32 33 9 31 29 32 33 9 29 32 33 34 9 29 32 33 35 9 32 33 35 36 9 32 33 35 37 9 32 33 35 81 9 34 33 35 36 9 34 33 35 37 9 34 33 35 81 9 33 35 81 82 9 33 35 81 83 9 33 35 81 84 9 36 35 81 82 9 36 35 81 83 9 36 35 81 84 9 37 35 81 82 9 37 35 81 83 9 37 35 81 84 9 26 38 41 42 9 26 38 41 43 9 26 38 41 44 9 39 38 41 42 9 39 38 41 43 9 39 38 41 44 9 40 38 41 42 9 40 38 41 43 9 40 38 41 44 9 38 41 44 45 9 38 41 44 46 9 38 41 44 47 9 42 41 44 45 9 42 41 44 46 9 42 41 44 47 9 43 41 44 45 9 43 41 44 46 9 43 41 44 47 9 41 44 47 48 9 41 44 47 49 9 41 44 47 50 9 45 44 47 48 9 45 44 47 49 9 45 44 47 50 9 46 44 47 48 9 46 44 47 49 9 46 44 47 50 9 44 47 50 51 9 44 47 50 52 9 44 47 50 53 9 48 47 50 51 9 48 47 50 52 9 48 47 50 53 9 49 47 50 51 9 49 47 50 52 9 49 47 50 53 9 47 50 53 54 9 47 50 53 55 9 47 50 53 56 9 51 50 53 54 9 51 50 53 55 9 51 50 53 56 9 52 50 53 54 9 52 50 53 55 9 52 50 53 56 9 50 53 56 57 9 50 53 56 58 9 50 53 56 59 9 54 53 56 57 9 54 53 56 58 9 54 53 56 59 9 55 53 56 57 9 55 53 56 58 9 55 53 56 59 9 53 56 59 60 9 53 56 59 61 9 53 56 59 62 9 57 56 59 60 9 57 56 59 61 9 57 56 59 62 9 58 56 59 60 9 58 56 59 61 9 58 56 59 62 9 56 59 62 63 9 56 59 62 64 9 56 59 62 65 9 60 59 62 63 9 60 59 62 64 9 60 59 62 65 9 61 59 62 63 9 61 59 62 64 9 61 59 62 65 9 59 62 65 66 9 59 62 65 67 9 59 62 65 68 9 63 62 65 66 9 63 62 65 67 9 63 62 65 68 9 64 62 65 66 9 64 62 65 67 9 64 62 65 68 9 62 65 68 69 9 62 65 68 70 9 62 65 68 71 9 66 65 68 69 9 66 65 68 70 9 66 65 68 71 9 67 65 68 69 9 67 65 68 70 9 67 65 68 71 9 65 68 71 72 9 65 68 71 73 9 65 68 71 74 9 69 68 71 72 9 69 68 71 73 9 69 68 71 74 9 70 68 71 72 9 70 68 71 73 9 70 68 71 74 9 68 71 74 75 9 68 71 74 76 9 68 71 74 77 9 72 71 74 75 9 72 71 74 76 9 72 71 74 77 9 73 71 74 75 9 73 71 74 76 9 73 71 74 77 9 71 74 77 78 9 71 74 77 79 9 71 74 77 80 9 75 74 77 78 9 75 74 77 79 9 75 74 77 80 9 76 74 77 78 9 76 74 77 79 9 76 74 77 80 9 35 81 84 85 9 35 81 84 86 9 35 81 84 87 9 82 81 84 85 9 82 81 84 86 9 82 81 84 87 9 83 81 84 85 9 83 81 84 86 9 83 81 84 87 9 81 84 87 88 9 81 84 87 89 9 81 84 87 90 9 85 84 87 88 9 85 84 87 89 9 85 84 87 90 9 86 84 87 88 9 86 84 87 89 9 86 84 87 90 9 84 87 90 91 9 84 87 90 92 9 84 87 90 93 9 88 87 90 91 9 88 87 90 92 9 88 87 90 93 9 89 87 90 91 9 89 87 90 92 9 89 87 90 93 9 87 90 93 94 9 87 90 93 95 9 87 90 93 96 9 91 90 93 94 9 91 90 93 95 9 91 90 93 96 9 92 90 93 94 9 92 90 93 95 9 92 90 93 96 9 90 93 96 97 9 90 93 96 98 9 90 93 96 99 9 94 93 96 97 9 94 93 96 98 9 94 93 96 99 9 95 93 96 97 9 95 93 96 98 9 95 93 96 99 9 93 96 99 100 9 93 96 99 101 9 93 96 99 102 9 97 96 99 100 9 97 96 99 101 9 97 96 99 102 9 98 96 99 100 9 98 96 99 101 9 98 96 99 102 9 96 99 102 103 9 96 99 102 104 9 96 99 102 105 9 100 99 102 103 9 100 99 102 104 9 100 99 102 105 9 101 99 102 103 9 101 99 102 104 9 101 99 102 105 9 99 102 105 106 9 99 102 105 107 9 99 102 105 108 9 103 102 105 106 9 103 102 105 107 9 103 102 105 108 9 104 102 105 106 9 104 102 105 107 9 104 102 105 108 9 102 105 108 109 9 102 105 108 110 9 102 105 108 111 9 106 105 108 109 9 106 105 108 110 9 106 105 108 111 9 107 105 108 109 9 107 105 108 110 9 107 105 108 111 9 105 108 111 112 9 105 108 111 113 9 105 108 111 114 9 109 108 111 112 9 109 108 111 113 9 109 108 111 114 9 110 108 111 112 9 110 108 111 113 9 110 108 111 114 9 108 111 114 115 9 108 111 114 116 9 108 111 114 117 9 112 111 114 115 9 112 111 114 116 9 112 111 114 117 9 113 111 114 115 9 113 111 114 116 9 113 111 114 117 9 111 114 117 118 9 111 114 117 119 9 111 114 117 120 9 115 114 117 118 9 115 114 117 119 9 115 114 117 120 9 116 114 117 118 9 116 114 117 119 9 116 114 117 120 9 114 117 120 121 9 114 117 120 122 9 114 117 120 123 9 118 117 120 121 9 118 117 120 122 9 118 117 120 123 9 119 117 120 121 9 119 117 120 122 9 119 117 120 123 9 [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 24 23 26 25 2 33 32 35 34 2