K86
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | O38 | sing | 1.43Å | 1.39Å | |
| O30 | C29 | sing | 1.43Å | 1.40Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | O27 | sing | 1.43Å | 1.40Å | |
| O38 | C37 | sing | 1.36Å | 1.40Å | |
| O27 | C17 | sing | 1.36Å | 1.41Å | |
| C37 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C37 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| O31 | C32 | sing | 1.36Å | 1.40Å | |
| O31 | C16 | sing | 1.36Å | 1.40Å | |
| C32 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | N18 | sing | 1.33Å | 1.33Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| N18 | C19 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | N14 | sing | 1.39Å | 1.46Å | |
| C15 | N20 | doub | 1.33Å | 1.32Å | Aromatic |
| C19 | N20 | sing | 1.33Å | 1.32Å | Aromatic |
| C19 | C21 | sing | 1.48Å | 1.53Å | |
| N14 | S11 | sing | 1.66Å | 1.71Å | |
| N26 | C21 | doub | 1.33Å | 1.32Å | Aromatic |
| N26 | C25 | sing | 1.32Å | 1.32Å | Aromatic |
| C21 | N22 | sing | 1.33Å | 1.32Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| S11 | O12 | doub | 1.42Å | 1.46Å | |
| S11 | O13 | doub | 1.42Å | 1.47Å | |
| S11 | C8 | sing | 1.76Å | 1.83Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C23 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| N14 | H17 | sing | 0.97Å | 1.00Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| O30 | H22 | sing | 0.97Å | 0.95Å | |
| C33 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | O38 | C37 | 113.7° | 117.0° |
| O38 | C39 | H27 | 109.5° | 109.5° |
| O38 | C39 | H28 | 109.5° | 109.5° |
| O38 | C39 | H29 | 109.5° | 109.5° |
| O30 | C29 | C28 | 107.6° | 109.5° |
| O30 | C29 | H20 | 110.0° | 109.5° |
| O30 | C29 | H21 | 109.9° | 109.5° |
| C29 | O30 | H22 | 109.5° | 114.0° |
| C29 | C28 | O27 | 109.5° | 109.4° |
| C29 | C28 | H3 | 109.5° | 109.5° |
| C29 | C28 | H4 | 109.5° | 109.5° |
| C28 | C29 | H20 | 109.9° | 109.5° |
| C28 | C29 | H21 | 109.9° | 109.4° |
| C28 | O27 | C17 | 113.7° | 117.0° |
| O27 | C28 | H3 | 109.4° | 109.5° |
| O27 | C28 | H4 | 109.5° | 109.5° |
| O38 | C37 | C36 | 119.8° | 120.1° |
| O38 | C37 | C32 | 119.7° | 120.1° |
| O27 | C17 | C16 | 121.0° | 120.4° |
| O27 | C17 | N18 | 119.3° | 120.4° |
| C36 | C37 | C32 | 120.5° | 119.8° |
| C37 | C36 | C35 | 119.8° | 120.0° |
| C37 | C36 | H26 | 120.1° | 120.0° |
| C37 | C32 | O31 | 119.0° | 120.1° |
| C37 | C32 | C33 | 119.6° | 119.9° |
| C36 | C35 | C34 | 119.9° | 120.2° |
| C36 | C35 | H25 | 120.1° | 119.9° |
| C35 | C36 | H26 | 120.1° | 120.0° |
| C32 | O31 | C16 | 113.3° | 118.0° |
| O31 | C32 | C33 | 121.4° | 120.0° |
| O31 | C16 | C17 | 122.2° | 120.9° |
| O31 | C16 | C15 | 120.8° | 120.8° |
| C32 | C33 | C34 | 120.0° | 120.0° |
| C32 | C33 | H23 | 120.0° | 120.0° |
| C35 | C34 | C33 | 120.2° | 120.2° |
| C35 | C34 | H24 | 119.9° | 119.9° |
| C34 | C35 | H25 | 120.1° | 119.9° |
| C16 | C17 | N18 | 119.6° | 119.1° |
| C17 | C16 | C15 | 117.0° | 118.3° |
| C17 | N18 | C19 | 120.4° | 120.9° |
| C34 | C33 | H23 | 120.0° | 120.0° |
| C33 | C34 | H24 | 119.9° | 119.9° |
| C16 | C15 | N14 | 121.5° | 120.5° |
| C16 | C15 | N20 | 120.2° | 119.0° |
| N18 | C19 | N20 | 122.2° | 121.8° |
| N18 | C19 | C21 | 120.7° | 119.1° |
| N14 | C15 | N20 | 118.2° | 120.5° |
| C15 | N14 | S11 | 118.4° | 120.0° |
| C15 | N14 | H17 | 107.2° | 120.0° |
| C15 | N20 | C19 | 120.5° | 120.8° |
| N20 | C19 | C21 | 117.1° | 119.1° |
| C19 | C21 | N26 | 119.5° | 119.2° |
| C19 | C21 | N22 | 118.2° | 119.2° |
| N14 | S11 | O12 | 111.6° | 106.4° |
| N14 | S11 | O13 | 110.9° | 106.4° |
| N14 | S11 | C8 | 109.9° | 107.2° |
| S11 | N14 | H17 | 107.2° | 120.0° |
| C21 | N26 | C25 | 120.2° | 120.7° |
| N26 | C21 | N22 | 122.3° | 121.6° |
| N26 | C25 | C24 | 119.0° | 119.2° |
| N26 | C25 | H19 | 120.5° | 120.4° |
| C21 | N22 | C23 | 121.2° | 120.7° |
| C25 | C24 | C23 | 119.1° | 118.6° |
| C25 | C24 | H2 | 120.4° | 120.7° |
| C24 | C25 | H19 | 120.5° | 120.4° |
| O12 | S11 | O13 | 101.5° | 123.2° |
| O12 | S11 | C8 | 111.9° | 106.4° |
| O13 | S11 | C8 | 110.9° | 106.4° |
| S11 | C8 | C9 | 120.5° | 120.0° |
| S11 | C8 | C7 | 119.6° | 120.0° |
| C10 | C9 | C8 | 120.0° | 120.0° |
| C9 | C10 | C5 | 120.0° | 120.0° |
| C9 | C10 | H1 | 120.0° | 120.0° |
| C10 | C9 | H16 | 120.0° | 120.0° |
| C9 | C8 | C7 | 120.0° | 120.0° |
| C8 | C9 | H16 | 120.0° | 120.0° |
| N22 | C23 | C24 | 118.2° | 119.2° |
| N22 | C23 | H18 | 120.9° | 120.4° |
| C10 | C5 | C2 | 120.7° | 120.0° |
| C10 | C5 | C6 | 119.9° | 120.0° |
| C5 | C10 | H1 | 120.0° | 120.0° |
| C8 | C7 | C6 | 120.0° | 120.0° |
| C8 | C7 | H15 | 120.0° | 120.0° |
| C23 | C24 | H2 | 120.4° | 120.8° |
| C24 | C23 | H18 | 120.9° | 120.4° |
| C2 | C5 | C6 | 119.5° | 120.0° |
| C5 | C2 | C3 | 110.4° | 109.5° |
| C5 | C2 | C1 | 109.2° | 109.4° |
| C5 | C2 | C4 | 109.4° | 109.5° |
| C5 | C6 | C7 | 120.2° | 120.0° |
| C5 | C6 | H14 | 119.9° | 120.1° |
| C3 | C2 | C1 | 108.9° | 109.5° |
| C3 | C2 | C4 | 109.4° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C7 | C6 | H14 | 119.9° | 120.0° |
| C6 | C7 | H15 | 120.0° | 120.0° |
| C1 | C2 | C4 | 109.6° | 109.4° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C4 | H11 | 109.5° | 109.5° |
| C2 | C4 | H12 | 109.5° | 109.4° |
| C2 | C4 | H13 | 109.5° | 109.5° |
| H3 | C28 | H4 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.4° |
| H8 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H11 | C4 | H12 | 109.5° | 109.5° |
| H11 | C4 | H13 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.4° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H27 | C39 | H28 | 109.5° | 109.4° |
| H27 | C39 | H29 | 109.5° | 109.5° |
| H28 | C39 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | O38 | C37 | C36 | 85.2° | 0.1° |
| C39 | O38 | C37 | C32 | 94.9° | 179.5° |
| O38 | C39 | H27 | H28 | 120.0° | 120.0° |
| O38 | C39 | H27 | H29 | 120.0° | 120.0° |
| O38 | C39 | H28 | H29 | 120.0° | 120.0° |
| O30 | C29 | C28 | H20 | 119.7° | 120.0° |
| O30 | C29 | C28 | H21 | 119.7° | 120.0° |
| O30 | C29 | C28 | O27 | 152.8° | 65.0° |
| O30 | C29 | C28 | H3 | 32.9° | 55.0° |
| O30 | C29 | C28 | H4 | 87.2° | 175.0° |
| O30 | C29 | H20 | H21 | 120.9° | 120.0° |
| C29 | C28 | O27 | H3 | 120.0° | 120.0° |
| C29 | C28 | O27 | H4 | 120.0° | 120.0° |
| C29 | C28 | O27 | C17 | 98.5° | 180.0° |
| C29 | C28 | H3 | H4 | 120.0° | 120.0° |
| C28 | C29 | H20 | H21 | 120.8° | 119.9° |
| C28 | C29 | O30 | H22 | 180.0° | 180.0° |
| C28 | O27 | C17 | C16 | 118.8° | 180.0° |
| C28 | O27 | C17 | N18 | 61.7° | 0.0° |
| O27 | C28 | H3 | H4 | 120.0° | 120.0° |
| O27 | C28 | C29 | H20 | 87.4° | 175.0° |
| O27 | C28 | C29 | H21 | 33.1° | 55.0° |
| O38 | C37 | C36 | C32 | 179.9° | 179.4° |
| O38 | C37 | C36 | C35 | 179.6° | 180.0° |
| O38 | C37 | C32 | O31 | 0.3° | 0.3° |
| O38 | C37 | C32 | C33 | 179.6° | 180.0° |
| O38 | C37 | C36 | H26 | 0.4° | 0.3° |
| C37 | O38 | C39 | H27 | 180.0° | 180.0° |
| C37 | O38 | C39 | H28 | 60.0° | 60.0° |
| C37 | O38 | C39 | H29 | 60.0° | 60.0° |
| O27 | C17 | C16 | O31 | 1.1° | 0.0° |
| O27 | C17 | C16 | N18 | 179.5° | 180.0° |
| O27 | C17 | C16 | C15 | 179.7° | 180.0° |
| O27 | C17 | N18 | C19 | 179.9° | 179.8° |
| C17 | O27 | C28 | H3 | 21.5° | 60.0° |
| C17 | O27 | C28 | H4 | 141.5° | 60.0° |
| C37 | C36 | C35 | H26 | 180.0° | 179.7° |
| C36 | C37 | C32 | O31 | 179.8° | 179.8° |
| C36 | C37 | C32 | C33 | 0.3° | 0.6° |
| C37 | C36 | C35 | C34 | 0.2° | 0.3° |
| C37 | C36 | C35 | H25 | 179.8° | 179.7° |
| C32 | C37 | C36 | C35 | 0.3° | 0.6° |
| C37 | C32 | O31 | C33 | 179.9° | 179.7° |
| C37 | C32 | O31 | C16 | 172.8° | 179.7° |
| C37 | C32 | C33 | C34 | 0.3° | 0.3° |
| C37 | C32 | C33 | H23 | 179.7° | 179.8° |
| C32 | C37 | C36 | H26 | 179.7° | 179.7° |
| C36 | C35 | C34 | H25 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.2° | 0.0° |
| C36 | C35 | C34 | H24 | 179.8° | 180.0° |
| C32 | O31 | C16 | C17 | 95.7° | 90.0° |
| O31 | C32 | C33 | C34 | 179.8° | 180.0° |
| C32 | O31 | C16 | C15 | 85.7° | 90.0° |
| O31 | C32 | C33 | H23 | 0.2° | 0.1° |
| C16 | O31 | C32 | C33 | 7.1° | 0.1° |
| O31 | C16 | C17 | C15 | 178.6° | 180.0° |
| O31 | C16 | C17 | N18 | 179.4° | 180.0° |
| O31 | C16 | C15 | N14 | 1.2° | 0.0° |
| O31 | C16 | C15 | N20 | 179.5° | 179.8° |
| C32 | C33 | C34 | C35 | 0.2° | 0.0° |
| C32 | C33 | C34 | H23 | 180.0° | 179.9° |
| C32 | C33 | C34 | H24 | 179.7° | 180.0° |
| C35 | C34 | C33 | H24 | 180.0° | 180.0° |
| C35 | C34 | C33 | H23 | 179.8° | 180.0° |
| C34 | C35 | C36 | H26 | 179.8° | 180.0° |
| C16 | C17 | N18 | C19 | 0.6° | 0.2° |
| C17 | C16 | C15 | N14 | 179.9° | 180.0° |
| C17 | C16 | C15 | N20 | 0.8° | 0.3° |
| N18 | C17 | C16 | C15 | 0.8° | 0.0° |
| C17 | N18 | C19 | N20 | 0.3° | 0.2° |
| C17 | N18 | C19 | C21 | 179.9° | 180.0° |
| C33 | C34 | C35 | H25 | 179.8° | 180.0° |
| C16 | C15 | N14 | N20 | 179.3° | 179.7° |
| C16 | C15 | N20 | C19 | 0.6° | 0.3° |
| C16 | C15 | N14 | S11 | 167.7° | 179.7° |
| C16 | C15 | N14 | H17 | 71.1° | 0.3° |
| N18 | C19 | N20 | C15 | 0.3° | 0.1° |
| N18 | C19 | N20 | C21 | 179.7° | 179.8° |
| N18 | C19 | C21 | N26 | 44.1° | 179.7° |
| N18 | C19 | C21 | N22 | 136.6° | 0.0° |
| N14 | C15 | N20 | C19 | 179.9° | 180.0° |
| C15 | N14 | S11 | H17 | 121.3° | 180.0° |
| C15 | N14 | S11 | O12 | 176.1° | 48.5° |
| C15 | N14 | S11 | O13 | 63.8° | 178.5° |
| C15 | N14 | S11 | C8 | 59.2° | 65.0° |
| C15 | N20 | C19 | C21 | 179.9° | 179.7° |
| N20 | C15 | N14 | S11 | 11.7° | 0.0° |
| N20 | C15 | N14 | H17 | 109.6° | 180.0° |
| N20 | C19 | C21 | N26 | 136.2° | 0.5° |
| N20 | C19 | C21 | N22 | 43.1° | 179.8° |
| C19 | C21 | N26 | N22 | 179.2° | 179.7° |
| C19 | C21 | N26 | C25 | 179.7° | 179.8° |
| C19 | C21 | N22 | C23 | 179.7° | 180.0° |
| N14 | S11 | O12 | O13 | 118.1° | 123.0° |
| N14 | S11 | O12 | C8 | 123.6° | 114.1° |
| N14 | S11 | O13 | C8 | 122.4° | 114.1° |
| N14 | S11 | C8 | C9 | 49.9° | 89.7° |
| N14 | S11 | C8 | C7 | 129.5° | 90.0° |
| C21 | N26 | C25 | C24 | 0.2° | 0.5° |
| N26 | C21 | N22 | C23 | 0.4° | 0.3° |
| C21 | N26 | C25 | H19 | 179.8° | 179.7° |
| C25 | N26 | C21 | N22 | 0.5° | 0.1° |
| N26 | C25 | C24 | H19 | 180.0° | 179.2° |
| N26 | C25 | C24 | C23 | 0.1° | 0.7° |
| N26 | C25 | C24 | H2 | 179.9° | 179.7° |
| C21 | N22 | C23 | C24 | 0.1° | 0.1° |
| C21 | N22 | C23 | H18 | 179.9° | 179.9° |
| C25 | C24 | C23 | N22 | 0.1° | 0.4° |
| C25 | C24 | C23 | H2 | 180.0° | 179.6° |
| C25 | C24 | C23 | H18 | 179.9° | 179.4° |
| O12 | S11 | O13 | C8 | 119.0° | 123.0° |
| O12 | S11 | C8 | C9 | 74.7° | 23.8° |
| O12 | S11 | C8 | C7 | 105.9° | 156.4° |
| O12 | S11 | N14 | H17 | 62.7° | 131.5° |
| O13 | S11 | C8 | C9 | 172.8° | 156.8° |
| O13 | S11 | C8 | C7 | 6.6° | 23.5° |
| O13 | S11 | N14 | H17 | 175.0° | 1.5° |
| S11 | C8 | C9 | C10 | 179.7° | 179.6° |
| S11 | C8 | C9 | C7 | 179.4° | 179.7° |
| S11 | C8 | C7 | C6 | 179.8° | 180.0° |
| S11 | C8 | C7 | H15 | 0.2° | 0.1° |
| S11 | C8 | C9 | H16 | 0.2° | 0.3° |
| C8 | S11 | N14 | H17 | 62.1° | 115.0° |
| C10 | C9 | C8 | H16 | 180.0° | 179.4° |
| C9 | C10 | C5 | H1 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.3° | 0.6° |
| C9 | C10 | C5 | C2 | 179.9° | 179.7° |
| C9 | C10 | C5 | C6 | 0.1° | 0.3° |
| C8 | C9 | C10 | C5 | 0.1° | 0.6° |
| C9 | C8 | C7 | C6 | 0.4° | 0.3° |
| C8 | C9 | C10 | H1 | 179.9° | 179.7° |
| C9 | C8 | C7 | H15 | 179.6° | 179.7° |
| N22 | C23 | C24 | H18 | 180.0° | 179.9° |
| N22 | C23 | C24 | H2 | 179.9° | 180.0° |
| C10 | C5 | C2 | C6 | 179.8° | 180.0° |
| C10 | C5 | C2 | C3 | 13.2° | 60.0° |
| C10 | C5 | C6 | C7 | 0.1° | 0.1° |
| C10 | C5 | C2 | C1 | 106.4° | 60.0° |
| C10 | C5 | C2 | C4 | 133.7° | 180.0° |
| C10 | C5 | C6 | H14 | 179.9° | 180.0° |
| C5 | C10 | C9 | H16 | 179.9° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C8 | C7 | C6 | H15 | 180.0° | 180.0° |
| C8 | C7 | C6 | H14 | 179.8° | 180.0° |
| C7 | C8 | C9 | H16 | 179.6° | 180.0° |
| C23 | C24 | C25 | H19 | 179.9° | 180.0° |
| C5 | C2 | C3 | C1 | 119.9° | 120.0° |
| C5 | C2 | C3 | C4 | 120.4° | 120.0° |
| C2 | C5 | C6 | C7 | 179.9° | 179.9° |
| C5 | C2 | C1 | C4 | 119.7° | 120.0° |
| C2 | C5 | C10 | H1 | 0.1° | 0.1° |
| C5 | C2 | C1 | H5 | 180.0° | 180.0° |
| C5 | C2 | C1 | H6 | 60.0° | 60.0° |
| C5 | C2 | C1 | H7 | 60.0° | 60.0° |
| C5 | C2 | C3 | H8 | 180.0° | 180.0° |
| C5 | C2 | C3 | H9 | 60.0° | 60.1° |
| C5 | C2 | C3 | H10 | 60.0° | 60.0° |
| C5 | C2 | C4 | H11 | 180.0° | 59.9° |
| C5 | C2 | C4 | H12 | 60.0° | 60.1° |
| C5 | C2 | C4 | H13 | 60.0° | 180.0° |
| C2 | C5 | C6 | H14 | 0.1° | 0.0° |
| C6 | C5 | C2 | C3 | 167.0° | 120.0° |
| C5 | C6 | C7 | H14 | 180.0° | 179.9° |
| C6 | C5 | C2 | C1 | 73.4° | 120.0° |
| C6 | C5 | C2 | C4 | 46.5° | 0.0° |
| C6 | C5 | C10 | H1 | 179.9° | 179.9° |
| C5 | C6 | C7 | H15 | 179.8° | 180.0° |
| C3 | C2 | C1 | C4 | 119.7° | 120.0° |
| C3 | C2 | C1 | H5 | 59.5° | 60.0° |
| C3 | C2 | C1 | H6 | 179.4° | 60.0° |
| C3 | C2 | C1 | H7 | 60.6° | 180.0° |
| C2 | C3 | H8 | H9 | 120.0° | 120.0° |
| C2 | C3 | H8 | H10 | 120.0° | 120.0° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C3 | C2 | C4 | H11 | 59.0° | 180.0° |
| C3 | C2 | C4 | H12 | 61.0° | 60.0° |
| C3 | C2 | C4 | H13 | 179.0° | 60.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | C3 | H8 | 60.1° | 60.0° |
| C1 | C2 | C3 | H9 | 59.9° | 180.0° |
| C1 | C2 | C3 | H10 | 179.8° | 60.0° |
| C1 | C2 | C4 | H11 | 60.4° | 60.0° |
| C1 | C2 | C4 | H12 | 179.6° | 180.0° |
| C1 | C2 | C4 | H13 | 59.7° | 60.0° |
| C4 | C2 | C1 | H5 | 60.2° | 60.0° |
| C4 | C2 | C1 | H6 | 59.7° | 180.0° |
| C4 | C2 | C1 | H7 | 179.8° | 60.0° |
| C4 | C2 | C3 | H8 | 59.6° | 60.0° |
| C4 | C2 | C3 | H9 | 179.6° | 60.0° |
| C4 | C2 | C3 | H10 | 60.4° | 180.0° |
| C2 | C4 | H11 | H12 | 120.0° | 120.0° |
| C2 | C4 | H11 | H13 | 120.0° | 120.0° |
| C2 | C4 | H12 | H13 | 120.0° | 120.0° |
| H1 | C10 | C9 | H16 | 0.2° | 0.4° |
| H2 | C24 | C23 | H18 | 0.1° | 0.2° |
| H2 | C24 | C25 | H19 | 0.1° | 0.5° |
| H3 | C28 | C29 | H20 | 152.6° | 65.0° |
| H3 | C28 | C29 | H21 | 86.8° | 175.0° |
| H4 | C28 | C29 | H20 | 32.6° | 55.0° |
| H4 | C28 | C29 | H21 | 153.1° | 65.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
| H8 | C3 | H9 | H10 | 120.0° | 120.0° |
| H11 | C4 | H12 | H13 | 120.0° | 120.1° |
| H14 | C6 | C7 | H15 | 0.2° | 0.1° |
| H20 | C29 | O30 | H22 | 60.3° | 60.0° |
| H21 | C29 | O30 | H22 | 60.3° | 60.0° |
| H23 | C33 | C34 | H24 | 0.3° | 0.0° |
| H24 | C34 | C35 | H25 | 0.2° | 0.0° |
| H25 | C35 | C36 | H26 | 0.2° | 0.0° |
| H27 | C39 | H28 | H29 | 120.0° | 120.0° |
