O6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N49 | C47 | sing | 1.34Å | 1.34Å | |
| N49 | C51 | sing | 1.47Å | 1.47Å | |
| O48 | C47 | doub | 1.21Å | 1.23Å | |
| C47 | C45 | sing | 1.51Å | 1.51Å | |
| C51 | C54 | sing | 1.55Å | 1.52Å | |
| O41 | C35 | doub | 1.21Å | 1.22Å | |
| C54 | C45 | sing | 1.55Å | 1.53Å | |
| C45 | C42 | sing | 1.53Å | 1.50Å | |
| C42 | C40 | sing | 1.53Å | 1.56Å | |
| C23 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | N36 | sing | 1.35Å | 1.36Å | |
| C35 | C57 | sing | 1.51Å | 1.48Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | N36 | sing | 1.47Å | 1.46Å | |
| C26 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | C57 | sing | 1.53Å | 1.52Å | |
| C40 | N38 | sing | 1.46Å | 1.43Å | |
| C57 | O40 | sing | 1.43Å | 1.48Å | |
| C32 | C27 | sing | 1.53Å | 1.54Å | |
| N38 | C36 | sing | 1.35Å | 1.34Å | |
| C33 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | O25 | sing | 1.45Å | 1.44Å | |
| C27 | C31 | sing | 1.53Å | 1.54Å | |
| O25 | C24 | sing | 1.35Å | 1.45Å | |
| O37 | C36 | doub | 1.21Å | 1.23Å | |
| O22 | C21 | doub | 1.22Å | 1.27Å | |
| C36 | C20 | sing | 1.51Å | 1.51Å | |
| N23 | C24 | sing | 1.35Å | 1.34Å | |
| N23 | C19 | sing | 1.40Å | 1.35Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| C21 | C19 | sing | 1.41Å | 1.47Å | |
| C21 | N15 | sing | 1.35Å | 1.41Å | |
| C20 | N15 | sing | 1.47Å | 1.46Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | doub | 1.37Å | 1.41Å | |
| N15 | C16 | sing | 1.36Å | 1.35Å | |
| C22 | C29 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.40Å | 1.38Å | |
| C16 | C17 | doub | 1.35Å | 1.39Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C30 | C34 | sing | 1.53Å | 1.52Å | |
| C29 | C34 | sing | 1.53Å | 1.53Å | |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C33 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| N23 | H10 | sing | 0.97Å | 1.00Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| N38 | H22 | sing | 0.97Å | 1.00Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| N49 | H27 | sing | 0.97Å | 1.00Å | |
| C51 | H28 | sing | 1.09Å | 1.10Å | |
| C51 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C54 | H31 | sing | 1.09Å | 1.10Å | |
| N36 | H34 | sing | 0.97Å | 1.00Å | |
| C13 | H35 | sing | 1.09Å | 1.10Å | |
| C13 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.08Å | 1.08Å | |
| C26 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å | |
| C15 | H41 | sing | 1.08Å | 1.08Å | |
| C57 | H32 | sing | 1.09Å | 1.10Å | |
| O40 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C47 | N49 | C51 | 113.0° | 111.3° |
| N49 | C47 | O48 | 127.7° | 124.9° |
| N49 | C47 | C45 | 109.4° | 110.1° |
| C47 | N49 | H27 | 123.5° | 124.4° |
| N49 | C51 | C54 | 101.9° | 105.5° |
| C51 | N49 | H27 | 123.5° | 124.4° |
| N49 | C51 | H28 | 111.3° | 110.2° |
| N49 | C51 | H29 | 111.3° | 110.3° |
| O48 | C47 | C45 | 122.9° | 125.0° |
| C47 | C45 | C54 | 102.0° | 104.3° |
| C47 | C45 | C42 | 117.5° | 110.5° |
| C47 | C45 | H26 | 107.6° | 110.5° |
| C51 | C54 | C45 | 104.7° | 101.6° |
| C54 | C51 | H28 | 111.3° | 110.2° |
| C54 | C51 | H29 | 111.3° | 110.3° |
| C51 | C54 | H30 | 110.6° | 111.0° |
| C51 | C54 | H31 | 110.6° | 111.0° |
| O41 | C35 | N36 | 130.6° | 120.0° |
| O41 | C35 | C57 | 116.8° | 120.0° |
| C54 | C45 | C42 | 114.1° | 110.5° |
| C54 | C45 | H26 | 107.3° | 110.5° |
| C45 | C54 | H30 | 110.6° | 111.1° |
| C45 | C54 | H31 | 110.6° | 111.0° |
| C45 | C42 | C40 | 108.2° | 109.5° |
| C45 | C42 | H24 | 109.8° | 109.5° |
| C45 | C42 | H25 | 109.8° | 109.5° |
| C42 | C45 | H26 | 107.8° | 110.4° |
| C42 | C40 | C57 | 119.1° | 109.4° |
| C42 | C40 | N38 | 113.8° | 109.5° |
| C42 | C40 | H23 | 107.1° | 109.5° |
| C40 | C42 | H24 | 109.8° | 109.5° |
| C40 | C42 | H25 | 109.8° | 109.5° |
| C15 | C23 | C25 | 119.6° | 120.0° |
| C23 | C15 | C14 | 121.0° | 120.0° |
| C15 | C23 | H40 | 120.2° | 120.0° |
| C23 | C15 | H41 | 119.5° | 120.0° |
| C23 | C25 | C26 | 119.8° | 120.0° |
| C23 | C25 | H39 | 120.1° | 120.0° |
| C25 | C23 | H40 | 120.2° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C15 | C14 | C28 | 119.0° | 120.0° |
| C14 | C15 | H41 | 119.5° | 120.0° |
| C25 | C26 | C28 | 120.3° | 120.0° |
| C25 | C26 | H38 | 119.9° | 120.0° |
| C26 | C25 | H39 | 120.1° | 120.0° |
| N36 | C35 | C57 | 112.6° | 120.0° |
| C35 | N36 | C13 | 125.4° | 120.0° |
| C35 | N36 | H34 | 117.3° | 120.0° |
| C35 | C57 | C40 | 109.5° | 109.5° |
| C35 | C57 | O40 | 102.5° | 109.5° |
| C35 | C57 | H32 | 110.0° | 109.4° |
| C13 | C14 | C28 | 121.5° | 120.0° |
| C14 | C13 | N36 | 111.1° | 109.4° |
| C14 | C13 | H35 | 109.1° | 109.5° |
| C14 | C13 | H36 | 109.1° | 109.5° |
| C14 | C28 | C26 | 120.4° | 120.0° |
| C14 | C28 | H37 | 119.8° | 120.0° |
| C13 | N36 | H34 | 117.3° | 120.0° |
| N36 | C13 | H35 | 109.0° | 109.5° |
| N36 | C13 | H36 | 109.0° | 109.5° |
| C26 | C28 | H37 | 119.8° | 120.0° |
| C28 | C26 | H38 | 119.8° | 120.0° |
| C57 | C40 | N38 | 100.2° | 109.5° |
| C40 | C57 | O40 | 115.4° | 109.5° |
| C57 | C40 | H23 | 107.5° | 109.5° |
| C40 | C57 | H32 | 109.3° | 109.5° |
| C40 | N38 | C36 | 122.8° | 120.0° |
| C40 | N38 | H22 | 118.6° | 120.0° |
| N38 | C40 | H23 | 108.7° | 109.5° |
| O40 | C57 | H32 | 109.9° | 109.4° |
| C57 | O40 | H33 | 109.5° | 114.0° |
| C32 | C27 | C33 | 107.6° | 109.5° |
| C32 | C27 | O25 | 108.8° | 109.5° |
| C32 | C27 | C31 | 111.1° | 109.5° |
| C27 | C32 | H4 | 109.5° | 109.4° |
| C27 | C32 | H5 | 109.5° | 109.5° |
| C27 | C32 | H6 | 109.5° | 109.5° |
| N38 | C36 | O37 | 123.0° | 120.0° |
| N38 | C36 | C20 | 116.9° | 120.0° |
| C36 | N38 | H22 | 118.5° | 120.0° |
| C33 | C27 | O25 | 110.9° | 109.5° |
| C33 | C27 | C31 | 110.5° | 109.4° |
| C27 | C33 | H7 | 109.5° | 109.6° |
| C27 | C33 | H8 | 109.5° | 109.5° |
| C27 | C33 | H9 | 109.4° | 109.4° |
| O25 | C27 | C31 | 108.0° | 109.5° |
| C27 | O25 | C24 | 125.7° | 117.0° |
| C27 | C31 | H1 | 109.5° | 109.5° |
| C27 | C31 | H2 | 109.4° | 109.5° |
| C27 | C31 | H3 | 109.5° | 109.5° |
| O25 | C24 | N23 | 114.4° | 120.0° |
| O25 | C24 | O26 | 120.1° | 120.0° |
| O37 | C36 | C20 | 120.1° | 120.0° |
| O22 | C21 | C19 | 121.2° | 120.1° |
| O22 | C21 | N15 | 120.5° | 120.0° |
| C36 | C20 | N15 | 105.5° | 109.5° |
| C36 | C20 | C22 | 111.4° | 109.5° |
| C36 | C20 | H14 | 108.5° | 109.5° |
| C24 | N23 | C19 | 127.4° | 120.0° |
| N23 | C24 | O26 | 125.5° | 120.0° |
| C24 | N23 | H10 | 116.3° | 120.0° |
| N23 | C19 | C21 | 115.5° | 120.4° |
| N23 | C19 | C18 | 125.7° | 120.4° |
| C19 | N23 | H10 | 116.3° | 120.0° |
| C19 | C21 | N15 | 118.4° | 119.9° |
| C21 | C19 | C18 | 118.8° | 119.2° |
| C21 | N15 | C20 | 116.8° | 119.6° |
| C21 | N15 | C16 | 119.8° | 120.8° |
| N15 | C20 | C22 | 114.0° | 109.4° |
| C20 | N15 | C16 | 123.3° | 119.6° |
| N15 | C20 | H14 | 109.1° | 109.4° |
| C20 | C22 | C29 | 111.0° | 109.5° |
| C22 | C20 | H14 | 108.2° | 109.5° |
| C20 | C22 | H15 | 109.1° | 109.5° |
| C20 | C22 | H16 | 109.1° | 109.4° |
| C19 | C18 | C17 | 119.9° | 119.3° |
| C19 | C18 | H11 | 120.1° | 120.4° |
| N15 | C16 | C17 | 122.8° | 120.8° |
| N15 | C16 | H13 | 118.6° | 119.7° |
| C22 | C29 | C30 | 113.9° | 117.5° |
| C22 | C29 | C34 | 119.2° | 117.5° |
| C29 | C22 | H15 | 109.1° | 109.5° |
| C29 | C22 | H16 | 109.1° | 109.5° |
| C22 | C29 | H17 | 117.1° | 115.5° |
| C18 | C17 | C16 | 120.3° | 120.1° |
| C17 | C18 | H11 | 120.0° | 120.4° |
| C18 | C17 | H12 | 119.8° | 120.0° |
| C16 | C17 | H12 | 119.9° | 120.0° |
| C17 | C16 | H13 | 118.6° | 119.6° |
| C29 | C30 | C34 | 59.8° | 60.0° |
| C30 | C29 | C34 | 59.7° | 60.0° |
| C30 | C29 | H17 | 117.0° | 117.5° |
| C29 | C30 | H20 | 120.0° | 117.5° |
| C29 | C30 | H21 | 120.0° | 117.5° |
| C30 | C34 | C29 | 60.6° | 60.0° |
| C30 | C34 | H18 | 119.9° | 117.5° |
| C30 | C34 | H19 | 119.9° | 117.5° |
| C34 | C30 | H20 | 120.0° | 117.5° |
| C34 | C30 | H21 | 120.0° | 117.5° |
| C34 | C29 | H17 | 117.2° | 117.5° |
| C29 | C34 | H18 | 119.9° | 117.5° |
| C29 | C34 | H19 | 119.9° | 117.5° |
| H1 | C31 | H2 | 109.5° | 109.5° |
| H1 | C31 | H3 | 109.5° | 109.5° |
| H2 | C31 | H3 | 109.5° | 109.5° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H4 | C32 | H6 | 109.4° | 109.5° |
| H5 | C32 | H6 | 109.5° | 109.5° |
| H7 | C33 | H8 | 109.5° | 109.5° |
| H7 | C33 | H9 | 109.4° | 109.5° |
| H8 | C33 | H9 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H18 | C34 | H19 | 109.5° | 115.6° |
| H20 | C30 | H21 | 109.5° | 115.6° |
| H24 | C42 | H25 | 109.4° | 109.4° |
| H28 | C51 | H29 | 109.5° | 110.3° |
| H30 | C54 | H31 | 109.5° | 110.8° |
| H35 | C13 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | N49 | C51 | H27 | 180.0° | 179.9° |
| N49 | C47 | O48 | C45 | 177.1° | 179.9° |
| C47 | N49 | C51 | C54 | 19.8° | 17.1° |
| N49 | C47 | C45 | C54 | 16.4° | 16.2° |
| N49 | C47 | C45 | C42 | 142.0° | 102.5° |
| N49 | C47 | C45 | H26 | 96.3° | 135.0° |
| C47 | N49 | C51 | H28 | 99.0° | 136.1° |
| C47 | N49 | C51 | H29 | 138.6° | 102.0° |
| C51 | N49 | C47 | O48 | 175.3° | 179.6° |
| C51 | N49 | C47 | C45 | 2.1° | 0.5° |
| N49 | C51 | C54 | H28 | 118.8° | 119.0° |
| N49 | C51 | C54 | H29 | 118.8° | 119.1° |
| N49 | C51 | C54 | C45 | 28.8° | 25.4° |
| N49 | C51 | H28 | H29 | 123.5° | 122.0° |
| N49 | C51 | C54 | H30 | 148.1° | 143.6° |
| N49 | C51 | C54 | H31 | 90.4° | 92.7° |
| O48 | C47 | C45 | C54 | 166.0° | 163.7° |
| O48 | C47 | C45 | C42 | 40.4° | 77.6° |
| O48 | C47 | C45 | H26 | 81.2° | 44.9° |
| O48 | C47 | N49 | H27 | 4.7° | 0.3° |
| C47 | C45 | C54 | C51 | 27.7° | 24.8° |
| C47 | C45 | C54 | C42 | 127.7° | 118.7° |
| C47 | C45 | C54 | H26 | 112.9° | 118.8° |
| C47 | C45 | C42 | H26 | 121.6° | 122.6° |
| C47 | C45 | C42 | C40 | 170.4° | 65.3° |
| C47 | C45 | C42 | H24 | 69.8° | 54.7° |
| C47 | C45 | C42 | H25 | 50.6° | 174.7° |
| C45 | C47 | N49 | H27 | 177.9° | 179.6° |
| C47 | C45 | C54 | H30 | 147.0° | 142.9° |
| C47 | C45 | C54 | H31 | 91.5° | 93.3° |
| C51 | C54 | C45 | H30 | 119.2° | 118.1° |
| C51 | C54 | C45 | H31 | 119.2° | 118.1° |
| C51 | C54 | C45 | C42 | 155.5° | 93.9° |
| C51 | C54 | C45 | H26 | 85.2° | 143.6° |
| C54 | C51 | N49 | H27 | 160.2° | 163.0° |
| C54 | C51 | H28 | H29 | 123.5° | 122.0° |
| C51 | C54 | H30 | H31 | 122.2° | 123.8° |
| O41 | C35 | N36 | C57 | 177.2° | 180.0° |
| O41 | C35 | N36 | C13 | 0.9° | 0.0° |
| O41 | C35 | C57 | C40 | 59.8° | 115.0° |
| O41 | C35 | C57 | O40 | 177.2° | 5.0° |
| O41 | C35 | N36 | H34 | 179.1° | 180.0° |
| O41 | C35 | C57 | H32 | 60.3° | 125.0° |
| C54 | C45 | C42 | H26 | 119.1° | 122.6° |
| C54 | C45 | C42 | C40 | 70.3° | 179.8° |
| C54 | C45 | C42 | H24 | 49.5° | 60.2° |
| C54 | C45 | C42 | H25 | 169.9° | 59.8° |
| C45 | C54 | C51 | H28 | 89.9° | 144.4° |
| C45 | C54 | C51 | H29 | 147.6° | 93.6° |
| C45 | C54 | H30 | H31 | 122.2° | 123.9° |
| C45 | C42 | C40 | H24 | 119.8° | 120.0° |
| C45 | C42 | C40 | H25 | 119.8° | 120.1° |
| C45 | C42 | C40 | C57 | 170.4° | 63.4° |
| C45 | C42 | C40 | N38 | 71.9° | 176.6° |
| C45 | C42 | C40 | H23 | 48.3° | 56.6° |
| C45 | C42 | H24 | H25 | 120.6° | 120.0° |
| C42 | C45 | C54 | H30 | 85.3° | 24.2° |
| C42 | C45 | C54 | H31 | 36.2° | 148.0° |
| C42 | C40 | C57 | C35 | 75.8° | 179.9° |
| C42 | C40 | C57 | N38 | 124.7° | 120.0° |
| C42 | C40 | C57 | H23 | 121.9° | 120.0° |
| C42 | C40 | N38 | H23 | 119.2° | 120.1° |
| C42 | C40 | C57 | O40 | 169.2° | 60.0° |
| C42 | C40 | N38 | C36 | 123.0° | 80.8° |
| C42 | C40 | N38 | H22 | 57.0° | 99.1° |
| C40 | C42 | H24 | H25 | 120.5° | 120.0° |
| C40 | C42 | C45 | H26 | 48.8° | 57.3° |
| C42 | C40 | C57 | H32 | 44.7° | 60.0° |
| C15 | C23 | C25 | H40 | 180.0° | 179.3° |
| C23 | C15 | C14 | H41 | 180.0° | 179.3° |
| C15 | C23 | C25 | C26 | 0.1° | 0.4° |
| C23 | C15 | C14 | C13 | 179.3° | 179.7° |
| C23 | C15 | C14 | C28 | 0.0° | 0.7° |
| C15 | C23 | C25 | H39 | 179.9° | 179.8° |
| C25 | C23 | C15 | C14 | 0.0° | 0.7° |
| C23 | C25 | C26 | H39 | 180.0° | 179.9° |
| C23 | C25 | C26 | C28 | 0.1° | 0.1° |
| C23 | C25 | C26 | H38 | 179.9° | 179.9° |
| C25 | C23 | C15 | H41 | 180.0° | 180.0° |
| C15 | C14 | C13 | C28 | 179.3° | 179.6° |
| C15 | C14 | C13 | N36 | 174.6° | 90.3° |
| C15 | C14 | C28 | C26 | 0.0° | 0.4° |
| C15 | C14 | C13 | H35 | 65.2° | 149.7° |
| C15 | C14 | C13 | H36 | 54.3° | 29.6° |
| C15 | C14 | C28 | H37 | 180.0° | 179.7° |
| C14 | C15 | C23 | H40 | 180.0° | 180.0° |
| C25 | C26 | C28 | C14 | 0.1° | 0.1° |
| C25 | C26 | C28 | H38 | 180.0° | 180.0° |
| C25 | C26 | C28 | H37 | 179.9° | 180.0° |
| C26 | C25 | C23 | H40 | 179.9° | 179.7° |
| C35 | N36 | C13 | C14 | 91.4° | 180.0° |
| C35 | N36 | C13 | H34 | 180.0° | 180.0° |
| N36 | C35 | C57 | C40 | 122.7° | 65.0° |
| N36 | C35 | C57 | O40 | 0.4° | 175.0° |
| C35 | N36 | C13 | H35 | 148.4° | 60.0° |
| C35 | N36 | C13 | H36 | 28.9° | 60.0° |
| N36 | C35 | C57 | H32 | 117.3° | 55.0° |
| C57 | C35 | N36 | C13 | 178.1° | 180.0° |
| C35 | C57 | C40 | O40 | 115.0° | 120.0° |
| C35 | C57 | C40 | H32 | 120.5° | 120.0° |
| C35 | C57 | C40 | N38 | 159.5° | 60.0° |
| C35 | C57 | O40 | H32 | 116.9° | 119.9° |
| C35 | C57 | C40 | H23 | 46.0° | 60.0° |
| C57 | C35 | N36 | H34 | 1.9° | 0.0° |
| C35 | C57 | O40 | H33 | 180.0° | 60.1° |
| C14 | C13 | N36 | H35 | 120.2° | 120.0° |
| C14 | C13 | N36 | H36 | 120.3° | 120.0° |
| C13 | C14 | C28 | C26 | 179.3° | 180.0° |
| C14 | C13 | N36 | H34 | 88.6° | 0.0° |
| C14 | C13 | H35 | H36 | 119.3° | 120.0° |
| C13 | C14 | C28 | H37 | 0.7° | 0.1° |
| C13 | C14 | C15 | H41 | 0.6° | 0.3° |
| C28 | C14 | C13 | N36 | 6.1° | 90.1° |
| C14 | C28 | C26 | H37 | 180.0° | 179.9° |
| C28 | C14 | C13 | H35 | 114.1° | 30.0° |
| C28 | C14 | C13 | H36 | 126.4° | 150.0° |
| C14 | C28 | C26 | H38 | 179.9° | 179.9° |
| C28 | C14 | C15 | H41 | 180.0° | 180.0° |
| N36 | C13 | H35 | H36 | 119.2° | 120.0° |
| C28 | C26 | C25 | H39 | 179.9° | 179.9° |
| C57 | C40 | N38 | H23 | 112.6° | 120.0° |
| C40 | C57 | O40 | H32 | 124.1° | 120.0° |
| C57 | C40 | N38 | C36 | 108.8° | 159.2° |
| C57 | C40 | N38 | H22 | 71.2° | 20.9° |
| C57 | C40 | C42 | H24 | 50.5° | 176.6° |
| C57 | C40 | C42 | H25 | 69.8° | 56.7° |
| C40 | C57 | O40 | H33 | 61.0° | 60.0° |
| N38 | C40 | C57 | O40 | 44.5° | 60.0° |
| C40 | N38 | C36 | H22 | 180.0° | 179.9° |
| C40 | N38 | C36 | O37 | 3.0° | 5.1° |
| C40 | N38 | C36 | C20 | 176.5° | 175.0° |
| N38 | C40 | C42 | H24 | 168.3° | 56.6° |
| N38 | C40 | C42 | H25 | 47.9° | 63.3° |
| N38 | C40 | C57 | H32 | 80.0° | 180.0° |
| O40 | C57 | C40 | H23 | 69.0° | 180.0° |
| C32 | C27 | C33 | O25 | 118.9° | 120.0° |
| C32 | C27 | C33 | C31 | 121.5° | 120.0° |
| C32 | C27 | O25 | C31 | 120.7° | 120.0° |
| C32 | C27 | O25 | C24 | 177.5° | 180.0° |
| C32 | C27 | C31 | H1 | 180.0° | 60.0° |
| C32 | C27 | C31 | H2 | 60.0° | 60.0° |
| C32 | C27 | C31 | H3 | 60.0° | 180.0° |
| C27 | C32 | H4 | H5 | 120.0° | 120.0° |
| C27 | C32 | H4 | H6 | 120.0° | 120.0° |
| C27 | C32 | H5 | H6 | 120.0° | 120.0° |
| C32 | C27 | C33 | H7 | 180.0° | 180.0° |
| C32 | C27 | C33 | H8 | 60.0° | 59.9° |
| C32 | C27 | C33 | H9 | 60.0° | 60.0° |
| N38 | C36 | O37 | C20 | 179.5° | 179.9° |
| N38 | C36 | C20 | N15 | 148.9° | 179.9° |
| N38 | C36 | C20 | C22 | 86.9° | 60.0° |
| N38 | C36 | C20 | H14 | 32.0° | 60.1° |
| C36 | N38 | C40 | H23 | 3.8° | 39.2° |
| C33 | C27 | O25 | C31 | 121.1° | 120.0° |
| C33 | C27 | O25 | C24 | 59.4° | 60.0° |
| C33 | C27 | C31 | H1 | 60.7° | 180.0° |
| C33 | C27 | C31 | H2 | 179.3° | 60.0° |
| C33 | C27 | C31 | H3 | 59.3° | 60.0° |
| C33 | C27 | C32 | H4 | 180.0° | 60.0° |
| C33 | C27 | C32 | H5 | 60.0° | 60.0° |
| C33 | C27 | C32 | H6 | 60.0° | 180.0° |
| C27 | C33 | H7 | H8 | 120.0° | 120.0° |
| C27 | C33 | H7 | H9 | 120.0° | 120.0° |
| C27 | C33 | H8 | H9 | 120.0° | 119.9° |
| C27 | O25 | C24 | N23 | 164.9° | 179.7° |
| C27 | O25 | C24 | O26 | 15.7° | 0.0° |
| O25 | C27 | C31 | H1 | 60.7° | 60.0° |
| O25 | C27 | C31 | H2 | 59.3° | 180.0° |
| O25 | C27 | C31 | H3 | 179.3° | 60.0° |
| O25 | C27 | C32 | H4 | 59.8° | 60.0° |
| O25 | C27 | C32 | H5 | 60.2° | 180.0° |
| O25 | C27 | C32 | H6 | 179.8° | 60.0° |
| O25 | C27 | C33 | H7 | 61.1° | 60.0° |
| O25 | C27 | C33 | H8 | 178.9° | 180.0° |
| O25 | C27 | C33 | H9 | 58.9° | 60.1° |
| C31 | C27 | O25 | C24 | 61.8° | 60.0° |
| C27 | C31 | H1 | H2 | 120.0° | 120.0° |
| C27 | C31 | H1 | H3 | 120.0° | 120.0° |
| C27 | C31 | H2 | H3 | 120.0° | 120.0° |
| C31 | C27 | C32 | H4 | 58.9° | 180.0° |
| C31 | C27 | C32 | H5 | 179.0° | 60.0° |
| C31 | C27 | C32 | H6 | 61.0° | 60.0° |
| C31 | C27 | C33 | H7 | 58.6° | 60.0° |
| C31 | C27 | C33 | H8 | 61.5° | 60.1° |
| C31 | C27 | C33 | H9 | 178.5° | 180.0° |
| O25 | C24 | N23 | O26 | 179.3° | 179.7° |
| O25 | C24 | N23 | C19 | 173.4° | 174.6° |
| O25 | C24 | N23 | H10 | 6.6° | 5.3° |
| O37 | C36 | C20 | N15 | 31.6° | 0.1° |
| O37 | C36 | C20 | C22 | 92.6° | 119.9° |
| O37 | C36 | C20 | H14 | 148.4° | 120.0° |
| O37 | C36 | N38 | H22 | 176.9° | 175.0° |
| O22 | C21 | C19 | N23 | 0.0° | 0.0° |
| O22 | C21 | C19 | N15 | 179.9° | 179.9° |
| O22 | C21 | N15 | C20 | 0.9° | 0.1° |
| O22 | C21 | C19 | C18 | 178.1° | 179.7° |
| O22 | C21 | N15 | C16 | 177.7° | 180.0° |
| C36 | C20 | N15 | C21 | 71.9° | 120.0° |
| C36 | C20 | N15 | C22 | 122.6° | 120.0° |
| C36 | C20 | N15 | H14 | 116.4° | 120.0° |
| C36 | C20 | C22 | H14 | 119.2° | 120.0° |
| C36 | C20 | N15 | C16 | 104.8° | 60.0° |
| C36 | C20 | C22 | C29 | 178.8° | 175.0° |
| C36 | C20 | C22 | H15 | 61.0° | 65.0° |
| C36 | C20 | C22 | H16 | 58.5° | 55.0° |
| C20 | C36 | N38 | H22 | 3.5° | 4.9° |
| C24 | N23 | C19 | H10 | 180.0° | 179.9° |
| C24 | N23 | C19 | C21 | 171.3° | 59.6° |
| C24 | N23 | C19 | C18 | 6.6° | 120.7° |
| C19 | N23 | C24 | O26 | 7.3° | 5.1° |
| N23 | C19 | C21 | C18 | 178.0° | 179.7° |
| N23 | C19 | C21 | N15 | 179.9° | 179.9° |
| N23 | C19 | C18 | C17 | 178.1° | 180.0° |
| N23 | C19 | C18 | H11 | 1.9° | 0.1° |
| O26 | C24 | N23 | H10 | 172.7° | 175.0° |
| C19 | C21 | N15 | C20 | 179.0° | 180.0° |
| C19 | C21 | N15 | C16 | 2.2° | 0.0° |
| C21 | C19 | C18 | C17 | 0.3° | 0.3° |
| C21 | C19 | N23 | H10 | 8.7° | 120.5° |
| C21 | C19 | C18 | H11 | 179.7° | 179.7° |
| C21 | N15 | C20 | C16 | 176.7° | 180.0° |
| C21 | N15 | C20 | C22 | 165.6° | 120.0° |
| N15 | C21 | C19 | C18 | 1.9° | 0.3° |
| C21 | N15 | C16 | C17 | 1.0° | 0.3° |
| C21 | N15 | C16 | H13 | 179.1° | 180.0° |
| C21 | N15 | C20 | H14 | 44.6° | 0.0° |
| N15 | C20 | C22 | H14 | 121.5° | 120.0° |
| N15 | C20 | C22 | C29 | 61.9° | 65.0° |
| C20 | N15 | C16 | C17 | 177.5° | 179.8° |
| C20 | N15 | C16 | H13 | 2.5° | 0.1° |
| N15 | C20 | C22 | H15 | 58.3° | 55.0° |
| N15 | C20 | C22 | H16 | 177.8° | 175.0° |
| C22 | C20 | N15 | C16 | 17.8° | 60.0° |
| C20 | C22 | C29 | H15 | 120.3° | 120.0° |
| C20 | C22 | C29 | H16 | 120.2° | 119.9° |
| C20 | C22 | C29 | C30 | 87.9° | 116.3° |
| C20 | C22 | C29 | C34 | 155.2° | 175.1° |
| C20 | C22 | H15 | H16 | 119.3° | 119.9° |
| C20 | C22 | C29 | H17 | 53.8° | 29.4° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.0° | 0.1° |
| C18 | C19 | N23 | H10 | 173.4° | 59.2° |
| C19 | C18 | C17 | H12 | 179.0° | 180.0° |
| N15 | C16 | C17 | C18 | 0.7° | 0.2° |
| N15 | C16 | C17 | H13 | 180.0° | 179.7° |
| N15 | C16 | C17 | H12 | 179.3° | 179.7° |
| C16 | N15 | C20 | H14 | 138.8° | 180.0° |
| C22 | C29 | C30 | C34 | 111.0° | 107.5° |
| C22 | C29 | C30 | H17 | 141.7° | 145.0° |
| C22 | C29 | C34 | H17 | 151.0° | 145.0° |
| C29 | C22 | C20 | H14 | 59.6° | 55.0° |
| C29 | C22 | H15 | H16 | 119.3° | 120.0° |
| C22 | C29 | C34 | H18 | 7.5° | 145.1° |
| C22 | C29 | C34 | H19 | 148.3° | 0.0° |
| C22 | C29 | C30 | H20 | 1.6° | 0.0° |
| C22 | C29 | C30 | H21 | 139.6° | 145.0° |
| C18 | C17 | C16 | H12 | 180.0° | 179.9° |
| C18 | C17 | C16 | H13 | 179.3° | 179.9° |
| C16 | C17 | C18 | H11 | 179.0° | 180.0° |
| C29 | C30 | C34 | H20 | 109.4° | 107.5° |
| C29 | C30 | C34 | H21 | 109.4° | 107.5° |
| C30 | C29 | C34 | H17 | 106.9° | 107.5° |
| C30 | C29 | C22 | H15 | 151.9° | 123.6° |
| C30 | C29 | C22 | H16 | 32.4° | 3.6° |
| C29 | C30 | C34 | H18 | 109.6° | 107.5° |
| C29 | C30 | C34 | H19 | 109.6° | 107.5° |
| C29 | C30 | H20 | H21 | 144.8° | 145.7° |
| C30 | C34 | H18 | H19 | 144.4° | 145.7° |
| C34 | C30 | H20 | H21 | 144.9° | 145.7° |
| C34 | C29 | C22 | H15 | 84.6° | 55.0° |
| C34 | C29 | C22 | H16 | 34.9° | 65.0° |
| C29 | C34 | H18 | H19 | 144.4° | 145.7° |
| H1 | C31 | H2 | H3 | 120.0° | 120.0° |
| H4 | C32 | H5 | H6 | 120.0° | 120.0° |
| H7 | C33 | H8 | H9 | 120.0° | 120.0° |
| H11 | C18 | C17 | H12 | 1.0° | 0.0° |
| H12 | C17 | C16 | H13 | 0.7° | 0.0° |
| H14 | C20 | C22 | H15 | 179.9° | 175.0° |
| H14 | C20 | C22 | H16 | 60.6° | 65.0° |
| H15 | C22 | C29 | H17 | 66.4° | 90.7° |
| H16 | C22 | C29 | H17 | 174.0° | 149.3° |
| H17 | C29 | C34 | H18 | 143.5° | 0.1° |
| H17 | C29 | C34 | H19 | 2.7° | 145.0° |
| H17 | C29 | C30 | H20 | 143.3° | 145.0° |
| H17 | C29 | C30 | H21 | 2.2° | 0.0° |
| H18 | C34 | C30 | H20 | 0.2° | 145.0° |
| H18 | C34 | C30 | H21 | 141.0° | 0.0° |
| H19 | C34 | C30 | H20 | 141.0° | 0.0° |
| H19 | C34 | C30 | H21 | 0.2° | 145.0° |
| H22 | N38 | C40 | H23 | 176.2° | 140.8° |
| H23 | C40 | C42 | H24 | 71.5° | 63.4° |
| H23 | C40 | C42 | H25 | 168.1° | 176.6° |
| H23 | C40 | C57 | H32 | 166.5° | 60.0° |
| H24 | C42 | C45 | H26 | 168.6° | 177.3° |
| H25 | C42 | C45 | H26 | 71.0° | 62.8° |
| H26 | C45 | C54 | H30 | 34.0° | 98.3° |
| H26 | C45 | C54 | H31 | 155.6° | 25.5° |
| H27 | N49 | C51 | H28 | 81.0° | 44.0° |
| H27 | N49 | C51 | H29 | 41.4° | 77.9° |
| H28 | C51 | C54 | H30 | 29.3° | 97.4° |
| H28 | C51 | C54 | H31 | 150.8° | 26.3° |
| H29 | C51 | C54 | H30 | 93.1° | 24.5° |
| H29 | C51 | C54 | H31 | 28.4° | 148.3° |
| H34 | N36 | C13 | H35 | 31.6° | 120.1° |
| H34 | N36 | C13 | H36 | 151.1° | 119.9° |
| H37 | C28 | C26 | H38 | 0.1° | 0.0° |
| H38 | C26 | C25 | H39 | 0.1° | 0.0° |
| H39 | C25 | C23 | H40 | 0.1° | 0.4° |
| H40 | C23 | C15 | H41 | 0.0° | 0.6° |
| H32 | C57 | O40 | H33 | 63.1° | 180.0° |
