; latest revision kri 15.3.2013 [ molecule ] POPG [ martini ] GL0 PO4 GL1 GL2 C1A C2A C3A C4A C1B C2B D3B C4B C5B [ mapping ] amber [ atoms ] 1 C13 GL0 2 H13A GL0 3 H13B GL0 4 OC3 GL0 5 HO3 GL0 6 C12 GL0 GL0 GL0 PO4 7 H12A GL0 8 OC2 GL0 9 HO2 GL0 17 C11 GL0 PO4 18 H11A GL0 PO4 19 H11B GL0 PO4 20 P PO4 21 O13 PO4 22 O14 PO4 23 O12 PO4 PO4 PO4 GL0 24 O11 PO4 PO4 GL1 25 C1 GL1 GL1 PO4 26 HA GL1 GL1 PO4 27 HB GL1 GL1 PO4 28 C2 GL1 GL1 GL2 29 HS GL1 GL1 GL2 30 O21 GL1 GL1 GL2 C1B 31 C21 GL1 C1B 32 O22 GL1 33 C22 C1B C1B GL1 34 H2R C1B C1B GL1 35 H2S C1B C1B GL1 36 C3 GL2 GL2 GL2 PO4 37 HX GL2 GL2 GL2 PO4 38 HY GL2 GL2 GL2 PO4 39 O31 GL2 40 C31 GL2 GL1 C1A 41 O32 GL2 42 C32 C1A C1A GL2 43 H2X C1A C1A GL2 44 H2Y C1A C1A GL2 45 C23 C1B 46 H3R C1B 47 H3S C1B 48 C24 C1B C1B C2B 49 H4R C1B C1B C2B 50 H4S C1B C1B C2B 51 C25 C1B C2B 52 H5R C1B C2B 53 H5S C1B C2B 54 C26 C2B C2B C1B 55 H6R C2B C2B C1B 56 H6S C2B C2B C1B 57 C27 C2B 58 H7R C2B 59 H7S C2B 60 C28 C2B D3B 61 H8R C2B D3B 62 H8S C2B D3B 63 C29 D3B D3B C2B 64 H91 D3B 65 C210 D3B D3B C4B 66 H101 D3B 67 C211 C4B D3B 68 H11R C4B D3B 69 H11S C4B D3B 70 C212 C4B 71 H12R C4B 72 H12S C4B 73 C213 C4B C4B C4B C5B 74 H13R C4B C4B C4B C5B 75 H13S C4B C4B C4B C5B 76 C214 C4B C4B C5B 77 H14R C4B C4B C5B 78 H14S C4B C4B C5B 79 C215 C5B C4B 80 H15R C5B C4B 81 H15S C5B C4B 82 C216 C5B C5B C4B 83 H16R C5B C5B C4B 84 H16S C5B C5B C4B 85 C217 C5B C5B C5B C4B 86 H17R C5B C5B C5B C4B 87 H17S C5B C5B C5B C4B 88 C218 C5B 89 H18R C5B 90 H18S C5B 91 H18T C5B 92 C33 C1A 93 H3X C1A 94 H3Y C1A 95 C34 C1A C1A C2A 96 H4X C1A C1A C2A 97 H4Y C1A C1A C2A 98 C35 C1A C2A 99 H5X C1A C2A 100 H5Y C1A C2A 101 C36 C2A C2A C1A 102 H6X C2A C2A C1A 103 H6Y C2A C2A C1A 104 C37 C2A 105 H7X C2A 106 H7Y C2A 107 C38 C2A C2A C2A C3A 108 H8X C2A C2A C2A C3A 109 H8Y C2A C2A C2A C3A 110 C39 C2A C2A C3A 111 H9X C2A C2A C3A 112 H9Y C2A C2A C3A 113 C310 C3A C2A 114 H10X C3A C2A 115 H10Y C3A C2A 116 C311 C3A C3A C2A 117 H11X C3A C3A C2A 118 H11Y C3A C3A C2A 119 C312 C3A 120 H12X C3A 121 H12Y C3A 122 C313 C3A C3A C4A 123 H13X C3A C3A C4A 124 H13Y C3A C3A C4A 125 C314 C4A C3A 126 H14X C4A C3A 127 H14Y C4A C3A 128 C315 C4A C4A C3A 129 H15X C4A C4A C3A 130 H15Y C4A C4A C3A 131 C316 C4A 132 H16X C4A 133 H16Y C4A 134 H16Z C4A ;making R stereoisomer- placing HS [chiral] HS C2 O21 C1 C3 ; acyl esters [trans] C22 C21 O21 C2 [ out ] O22 C21 O21 C22 [trans] C32 C31 O31 C3 [out] O32 C31 O31 C32 ;cis bonds in lipid chains [ out ] H91 C29 C28 C210 [ trans ] H101 C210 C29 C28 [ out ] C211 C210 C29 H101 ;;;making a glycerol headgroup [trans] HO3 OC3 C13 C12 [out] OC2 C12 HO3 C11 [chiral] H12A C12 OC2 C13 C11 OC2 C12 C11 C13 H12A HO2 C12 C11 C13 H12A