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0 0 0 0 0 0 0 0 0 0 0 3.3472 -31.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2123 -30.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3473 -30.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 -32.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2123 -33.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4823 -32.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4822 -30.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2123 -29.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 -28.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -33.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -34.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -32.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8074 -33.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -32.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8074 -32.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -35.1044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 -34.1055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -31.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8074 -30.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8074 -35.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8075 -36.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9425 -35.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -31.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7523 -32.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -30.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 -31.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 -30.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1127 -30.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 -33.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9779 -32.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9779 -30.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 -29.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 -28.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0665 -33.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9565 -32.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -44.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 1 0 0 2 8 1 6 0 0 4 9 1 1 0 0 6 10 1 1 0 0 5 11 1 1 0 0 12 11 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 13 19 1 1 0 0 14 20 1 6 0 0 16 21 1 1 0 0 18 7 1 6 0 0 17 22 1 1 0 0 23 22 1 0 0 0 25 24 1 0 0 0 26 24 2 0 0 0 20 24 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 32 1 0 0 0 27 33 1 1 0 0 28 34 1 6 0 0 30 19 1 1 0 0 32 35 1 1 0 0 31 36 1 1 0 0 37 36 1 0 0 0 38 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 43 1 0 0 0 42 43 1 0 0 0 38 44 1 1 0 0 39 45 1 6 0 0 41 46 1 1 0 0 43 33 1 6 0 0 42 47 1 1 0 0 48 47 1 0 0 0 44 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 50 52 1 6 0 0 51 53 1 0 0 0 51 54 1 1 0 0 52 55 1 0 0 0 53 56 2 0 0 0 55 57 2 0 0 0 55 58 1 0 0 0 56 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 72 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 77 1 0 0 0 72 78 1 1 0 0 73 79 1 6 0 0 75 80 1 1 0 0 77 81 1 1 0 0 76 82 1 1 0 0 83 82 1 0 0 0 84 85 1 0 0 0 84 86 1 0 0 0 85 87 1 0 0 0 86 88 1 0 0 0 87 89 1 0 0 0 88 89 1 0 0 0 85 90 1 6 0 0 87 91 1 1 0 0 89 78 1 6 0 0 88 92 1 1 0 0 93 92 1 0 0 0 95 94 1 0 0 0 96 94 2 0 0 0 90 94 1 0 0 0 97 98 1 0 0 0 97 99 1 0 0 0 97100 1 1 0 0 98101 1 0 0 0 99102 1 0 0 0 100103 1 0 0 0 100104 2 0 0 0 101105 1 0 0 0 102106 1 6 0 0 102105 1 0 0 0 101107 1 0 0 0 107108 1 0 0 0 108109 1 0 0 0 109110 1 0 0 0 101111 1 1 0 0 107112 1 6 0 0 108113 1 1 0 0 105114 1 1 0 0 114115 1 0 0 0 115116 1 0 0 0 115117 2 0 0 0 97 80 1 6 0 0 84 9 1 1 0 0 118119 1 0 0 0 118120 1 0 0 0 119121 1 0 0 0 120122 1 0 0 0 121123 1 0 0 0 122123 1 0 0 0 118124 1 1 0 0 119125 1 6 0 0 121126 1 1 0 0 123127 1 1 0 0 122128 1 1 0 0 129128 1 0 0 0 130131 1 0 0 0 130132 1 0 0 0 131133 1 0 0 0 132134 1 0 0 0 133135 1 0 0 0 134135 1 0 0 0 131136 1 6 0 0 133137 1 1 0 0 135124 1 6 0 0 134138 1 1 0 0 139138 1 0 0 0 141140 1 0 0 0 142140 2 0 0 0 136140 1 0 0 0 130 12 1 1 0 0 143144 1 0 0 0 143145 1 0 0 0 144146 1 0 0 0 145147 1 0 0 0 146148 1 0 0 0 147148 1 0 0 0 144149 1 6 0 0 146150 1 1 0 0 148151 1 1 0 0 147152 1 1 0 0 153152 1 0 0 0 143126 1 6 0 0 154155 1 0 0 0 71154 1 0 0 0 116156 1 0 0 0 M CHG 1 103 -1 M END > CHEBI:144993 > alpha-N-glycoloylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:1(4E))(1-) > 2 > alpha-NeuNGc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1(4E))(1-); alpha-N-glycoloylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-icosasphingosine(1-); alpha-N-glycoloylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-eicosasphing-4-enine(1-); a neolactoside VI(3)-alpha-NeuGc,IV(6)-beta-[Gal-alpha-(1->3)-Gal-beta-(1->4)-GlcNAc]-nLc6Cer(d20:1(4E)) > C92H155N5O57R > 2243.218 > 2241.93838 > -1 > [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)NC(C)=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(CO)=O)([C@@H]([C@@H](CO)O)O)[H])C([O-])=O)O)O)NC(C)=O)O)O[C@H]8[C@@H]([C@H]([C@@H](O[C@@H]8CO)O[C@@H]9[C@H]([C@@H](O[C@@H]([C@@H]9O)CO)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCCCC)O)NC(=O)*)O)O)O)NC(C)=O)O $$$$