; latest revision kri 15.3.2013 [ molecule ] POPE [ martini ] NH3 PO4 GL1 GL2 C1A C2A C3A C4A C1B C2B D3B C4B C5B ; ; NH3-PO4-GL1-C1B-C2B-D3B-C4B-C5B ; | ; GL2-C1A-C2A-C3A-C4A [ mapping ] charmm36 [ atoms ] 1 N NH3 2 HN1 NH3 3 HN2 NH3 4 HN3 NH3 5 C12 NH3 NH3 PO4 6 H12A NH3 NH3 PO4 7 H12B NH3 NH3 PO4 8 C11 NH3 PO4 PO4 9 H11A NH3 PO4 PO4 10 H11B NH3 PO4 PO4 11 P PO4 12 O13 PO4 13 O14 PO4 14 O12 PO4 PO4 PO4 NH3 15 O11 PO4 PO4 GL1 16 C1 GL1 GL1 PO4 17 HA GL1 GL1 PO4 18 HB GL1 GL1 PO4 19 C2 GL1 GL1 GL2 20 HS GL1 GL1 GL2 21 O21 GL1 GL1 GL2 C1B 22 C21 GL1 C1B 23 O22 GL1 24 C22 C1B C1B GL1 25 H2R C1B C1B GL1 26 H2S C1B C1B GL1 27 C3 GL2 GL2 GL2 PO4 28 HX GL2 GL2 GL2 PO4 29 HY GL2 GL2 GL2 PO4 30 O31 GL2 31 C31 GL2 GL1 C1A 32 O32 GL2 33 C32 C1A C1A GL2 34 H2X C1A C1A GL2 35 H2Y C1A C1A GL2 36 C23 C1B 37 H3R C1B 38 H3S C1B 39 C24 C1B C1B C2B 40 H4R C1B C1B C2B 41 H4S C1B C1B C2B 42 C25 C1B C2B 43 H5R C1B C2B 44 H5S C1B C2B 45 C26 C2B C2B C1B 46 H6R C2B C2B C1B 47 H6S C2B C2B C1B 48 C27 C2B 49 H7R C2B 50 H7S C2B 51 C28 C2B D3B 52 H8R C2B D3B 53 H8S C2B D3B 54 C29 D3B D3B C2B 55 H91 D3B 56 C210 D3B D3B C4B 57 H101 D3B 58 C211 C4B D3B 59 H11R C4B D3B 60 H11S C4B D3B 61 C212 C4B 62 H12R C4B 63 H12S C4B 64 C213 C4B C4B C4B C5B 65 H13R C4B C4B C4B C5B 66 H13S C4B C4B C4B C5B 67 C214 C4B C4B C5B 68 H14R C4B C4B C5B 69 H14S C4B C4B C5B 70 C215 C5B C4B 71 H15R C5B C4B 72 H15S C5B C4B 73 C216 C5B C5B C4B 74 H16R C5B C5B C4B 75 H16S C5B C5B C4B 76 C217 C5B C5B C5B C4B 77 H17R C5B C5B C5B C4B 78 H17S C5B C5B C5B C4B 79 C218 C5B 80 H18R C5B 81 H18S C5B 82 H18T C5B 83 C33 C1A 84 H3X C1A 85 H3Y C1A 86 C34 C1A C1A C2A 87 H4X C1A C1A C2A 88 H4Y C1A C1A C2A 89 C35 C1A C2A 90 H5X C1A C2A 91 H5Y C1A C2A 92 C36 C2A C2A C1A 93 H6X C2A C2A C1A 94 H6Y C2A C2A C1A 95 C37 C2A 96 H7X C2A 97 H7Y C2A 98 C38 C2A C2A C2A C3A 99 H8X C2A C2A C2A C3A 100 H8Y C2A C2A C2A C3A 101 C39 C2A C2A C3A 102 H9X C2A C2A C3A 103 H9Y C2A C2A C3A 104 C310 C3A C2A 105 H10X C3A C2A 106 H10Y C3A C2A 107 C311 C3A C3A C2A 108 H11X C3A C3A C2A 109 H11Y C3A C3A C2A 110 C312 C3A 111 H12X C3A 112 H12Y C3A 113 C313 C3A C3A C4A 114 H13X C3A C3A C4A 115 H13Y C3A C3A C4A 116 C314 C4A C3A 117 H14X C4A C3A 118 H14Y C4A C3A 119 C315 C4A C4A C3A 120 H15X C4A C4A C3A 121 H15Y C4A C4A C3A 122 C316 C4A 123 H16X C4A 124 H16Y C4A 125 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 lipind chains [ out ] H91 C29 C28 C210 [ trans ] H101 C210 C29 C28 [ out ] C211 C210 C29 H101