KJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C37 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | N36 | sing | 1.46Å | 1.47Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| N36 | C35 | sing | 1.35Å | 1.47Å | |
| O34 | C33 | sing | 1.43Å | 1.41Å | |
| C35 | C33 | sing | 1.51Å | 1.54Å | |
| C35 | O40 | doub | 1.21Å | 1.19Å | |
| C33 | C24 | sing | 1.53Å | 1.53Å | |
| O32 | C31 | doub | 1.21Å | 1.18Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.60Å | |
| C24 | N23 | sing | 1.46Å | 1.44Å | |
| N23 | C2 | sing | 1.35Å | 1.47Å | |
| C31 | C26 | sing | 1.50Å | 1.59Å | |
| C31 | N30 | sing | 1.33Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.43Å | |
| N30 | C29 | sing | 1.46Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | O1 | doub | 1.21Å | 1.19Å | |
| C3 | N11 | sing | 1.46Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.48Å | |
| O22 | C12 | doub | 1.22Å | 1.19Å | |
| N11 | C12 | sing | 1.35Å | 1.46Å | |
| C12 | C13 | sing | 1.47Å | 1.54Å | |
| C13 | C14 | doub | 1.36Å | 1.40Å | Aromatic |
| C13 | O21 | sing | 1.35Å | 1.33Å | Aromatic |
| C14 | C15 | sing | 1.46Å | 1.44Å | Aromatic |
| O21 | C20 | sing | 1.35Å | 1.38Å | Aromatic |
| C15 | C20 | doub | 1.41Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.37Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | 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 | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| N11 | H36 | sing | 0.97Å | 1.00Å | |
| N23 | H37 | sing | 0.97Å | 1.00Å | |
| N30 | H38 | sing | 0.97Å | 1.00Å | |
| N36 | H39 | sing | 0.97Å | 1.00Å | |
| O34 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C39 | C38 | 59.8° | 60.0° |
| C39 | C37 | N36 | 114.1° | 117.5° |
| C39 | C37 | C38 | 60.1° | 60.0° |
| C39 | C37 | H31 | 117.5° | 117.5° |
| C37 | C39 | H34 | 120.0° | 117.5° |
| C37 | C39 | H35 | 120.0° | 117.5° |
| C39 | C38 | C37 | 60.0° | 60.0° |
| C39 | C38 | H32 | 120.0° | 117.5° |
| C39 | C38 | H33 | 120.0° | 117.5° |
| C38 | C39 | H34 | 120.0° | 117.5° |
| C38 | C39 | H35 | 120.1° | 117.5° |
| N36 | C37 | C38 | 115.5° | 117.6° |
| C37 | N36 | C35 | 121.4° | 120.0° |
| N36 | C37 | H31 | 118.8° | 115.5° |
| C37 | N36 | H39 | 119.3° | 119.9° |
| C38 | C37 | H31 | 117.5° | 117.5° |
| C37 | C38 | H32 | 120.0° | 117.5° |
| C37 | C38 | H33 | 120.0° | 117.5° |
| N36 | C35 | C33 | 117.0° | 120.0° |
| N36 | C35 | O40 | 120.9° | 120.0° |
| C35 | N36 | H39 | 119.3° | 120.0° |
| O34 | C33 | C35 | 112.1° | 109.5° |
| O34 | C33 | C24 | 110.4° | 109.5° |
| O34 | C33 | H30 | 109.8° | 109.5° |
| C33 | O34 | H40 | 109.5° | 114.0° |
| C33 | C35 | O40 | 122.1° | 120.0° |
| C35 | C33 | C24 | 108.0° | 109.5° |
| C35 | C33 | H30 | 108.0° | 109.4° |
| C33 | C24 | C25 | 110.7° | 109.5° |
| C33 | C24 | N23 | 107.8° | 109.4° |
| C33 | C24 | H4 | 110.1° | 109.5° |
| C24 | C33 | H30 | 108.3° | 109.5° |
| O32 | C31 | C26 | 120.5° | 118.3° |
| O32 | C31 | N30 | 120.7° | 118.3° |
| C24 | C25 | C26 | 112.9° | 109.5° |
| C25 | C24 | N23 | 106.9° | 109.5° |
| C25 | C24 | H4 | 109.9° | 109.4° |
| C24 | C25 | H8 | 108.6° | 109.5° |
| C24 | C25 | H9 | 108.6° | 109.4° |
| C25 | C26 | C31 | 109.5° | 109.4° |
| C25 | C26 | C27 | 109.4° | 109.4° |
| C26 | C25 | H8 | 108.6° | 109.5° |
| C26 | C25 | H9 | 108.6° | 109.5° |
| C25 | C26 | H23 | 106.7° | 109.4° |
| C24 | N23 | C2 | 117.8° | 120.0° |
| N23 | C24 | H4 | 111.3° | 109.5° |
| C24 | N23 | H37 | 121.1° | 120.0° |
| N23 | C2 | C3 | 118.9° | 120.0° |
| N23 | C2 | O1 | 120.0° | 120.0° |
| C2 | N23 | H37 | 121.1° | 120.0° |
| C26 | C31 | N30 | 118.8° | 123.4° |
| C31 | C26 | C27 | 115.2° | 109.9° |
| C31 | C26 | H23 | 106.8° | 109.3° |
| C31 | N30 | C29 | 115.5° | 124.1° |
| C31 | N30 | H38 | 122.2° | 117.9° |
| C7 | C8 | C9 | 112.0° | 109.5° |
| C8 | C7 | C6 | 111.5° | 109.5° |
| C8 | C7 | H16 | 109.0° | 109.5° |
| C8 | C7 | H17 | 109.0° | 109.5° |
| C7 | C8 | H18 | 108.8° | 109.5° |
| C7 | C8 | H19 | 108.8° | 109.5° |
| C8 | C9 | C10 | 111.8° | 109.4° |
| C9 | C8 | H18 | 108.8° | 109.5° |
| C9 | C8 | H19 | 108.8° | 109.4° |
| C8 | C9 | H20 | 108.9° | 109.5° |
| C8 | C9 | H21 | 108.9° | 109.5° |
| C26 | C27 | C28 | 113.7° | 108.4° |
| C27 | C26 | H23 | 108.8° | 109.4° |
| C26 | C27 | H24 | 108.4° | 109.7° |
| C26 | C27 | H25 | 108.4° | 109.7° |
| N30 | C29 | C28 | 113.2° | 110.5° |
| N30 | C29 | H28 | 108.5° | 109.3° |
| N30 | C29 | H29 | 108.5° | 109.1° |
| C29 | N30 | H38 | 122.2° | 117.9° |
| C7 | C6 | C5 | 110.9° | 109.4° |
| C7 | C6 | H14 | 109.1° | 109.5° |
| C7 | C6 | H15 | 109.1° | 109.5° |
| C6 | C7 | H16 | 109.0° | 109.5° |
| C6 | C7 | H17 | 109.0° | 109.5° |
| C6 | C5 | C10 | 111.7° | 109.5° |
| C6 | C5 | C4 | 108.9° | 109.4° |
| C6 | C5 | H13 | 109.6° | 109.5° |
| C5 | C6 | H14 | 109.1° | 109.5° |
| C5 | C6 | H15 | 109.1° | 109.5° |
| C9 | C10 | C5 | 111.8° | 109.5° |
| C9 | C10 | H1 | 108.9° | 109.5° |
| C9 | C10 | H2 | 108.9° | 109.5° |
| C10 | C9 | H20 | 108.9° | 109.5° |
| C10 | C9 | H21 | 108.9° | 109.5° |
| C10 | C5 | C4 | 107.9° | 109.5° |
| C5 | C10 | H1 | 108.9° | 109.5° |
| C5 | C10 | H2 | 108.9° | 109.5° |
| C10 | C5 | H13 | 109.5° | 109.5° |
| C3 | C4 | C5 | 112.2° | 109.5° |
| C4 | C3 | C2 | 108.4° | 109.5° |
| C4 | C3 | N11 | 109.6° | 109.5° |
| C4 | C3 | H10 | 110.9° | 109.5° |
| C3 | C4 | H11 | 108.8° | 109.5° |
| C3 | C4 | H12 | 108.8° | 109.5° |
| C5 | C4 | H11 | 108.8° | 109.4° |
| C5 | C4 | H12 | 108.7° | 109.5° |
| C4 | C5 | H13 | 109.2° | 109.5° |
| C3 | C2 | O1 | 121.1° | 120.0° |
| C2 | C3 | N11 | 104.2° | 109.5° |
| C2 | C3 | H10 | 111.0° | 109.5° |
| C3 | N11 | C12 | 119.5° | 120.0° |
| N11 | C3 | H10 | 112.5° | 109.5° |
| C3 | N11 | H36 | 120.3° | 120.0° |
| C27 | C28 | C29 | 111.6° | 108.7° |
| C28 | C27 | H24 | 108.4° | 109.6° |
| C28 | C27 | H25 | 108.4° | 109.7° |
| C27 | C28 | H26 | 109.0° | 109.6° |
| C27 | C28 | H27 | 108.9° | 109.6° |
| C29 | C28 | H26 | 108.9° | 109.6° |
| C29 | C28 | H27 | 108.9° | 109.7° |
| C28 | C29 | H28 | 108.5° | 109.3° |
| C28 | C29 | H29 | 108.5° | 109.3° |
| O22 | C12 | N11 | 121.8° | 119.9° |
| O22 | C12 | C13 | 123.2° | 120.0° |
| N11 | C12 | C13 | 115.0° | 120.0° |
| C12 | N11 | H36 | 120.3° | 119.9° |
| C12 | C13 | C14 | 122.8° | 125.2° |
| C12 | C13 | O21 | 128.1° | 125.1° |
| C14 | C13 | O21 | 109.0° | 109.7° |
| C13 | C14 | C15 | 107.6° | 106.1° |
| C13 | C14 | H5 | 126.2° | 127.0° |
| C13 | O21 | C20 | 108.8° | 110.8° |
| C14 | C15 | C20 | 104.2° | 105.7° |
| C14 | C15 | C16 | 134.9° | 134.2° |
| C15 | C14 | H5 | 126.2° | 126.9° |
| O21 | C20 | C15 | 110.3° | 107.6° |
| O21 | C20 | C19 | 130.2° | 133.2° |
| C20 | C15 | C16 | 120.8° | 120.1° |
| C15 | C20 | C19 | 119.5° | 119.2° |
| C15 | C16 | C17 | 119.4° | 119.7° |
| C15 | C16 | H22 | 120.3° | 120.1° |
| C20 | C19 | C18 | 119.8° | 119.8° |
| C20 | C19 | H7 | 120.1° | 120.1° |
| C16 | C17 | C18 | 120.0° | 120.4° |
| C16 | C17 | H3 | 120.0° | 119.8° |
| C17 | C16 | H22 | 120.3° | 120.1° |
| C19 | C18 | C17 | 120.4° | 120.8° |
| C19 | C18 | H6 | 119.8° | 119.7° |
| C18 | C19 | H7 | 120.1° | 120.0° |
| C18 | C17 | H3 | 120.0° | 119.8° |
| C17 | C18 | H6 | 119.8° | 119.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H8 | C25 | H9 | 109.5° | 109.5° |
| H11 | C4 | H12 | 109.5° | 109.5° |
| H14 | C6 | H15 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.7° |
| H26 | C28 | H27 | 109.5° | 109.6° |
| H28 | C29 | H29 | 109.5° | 109.3° |
| H32 | C38 | H33 | 109.5° | 115.6° |
| H34 | C39 | H35 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C39 | C38 | H34 | 109.4° | 107.5° |
| C37 | C39 | C38 | H35 | 109.4° | 107.5° |
| C39 | C37 | N36 | C38 | 67.0° | 68.7° |
| C39 | C37 | N36 | H31 | 145.3° | 145.7° |
| C39 | C37 | C38 | H31 | 107.5° | 107.5° |
| C39 | C37 | N36 | C35 | 155.6° | 133.6° |
| C37 | C39 | C38 | H32 | 109.5° | 107.5° |
| C37 | C39 | C38 | H33 | 109.5° | 107.5° |
| C37 | C39 | H34 | H35 | 144.8° | 145.7° |
| C39 | C37 | N36 | H39 | 24.4° | 46.5° |
| C39 | C38 | H32 | H33 | 144.7° | 145.6° |
| C38 | C39 | H34 | H35 | 144.9° | 145.7° |
| N36 | C37 | C38 | H31 | 148.1° | 145.0° |
| C37 | N36 | C35 | H39 | 180.0° | 179.9° |
| C37 | N36 | C35 | C33 | 179.6° | 175.6° |
| C37 | N36 | C35 | O40 | 2.2° | 4.4° |
| N36 | C37 | C38 | H32 | 5.1° | 145.0° |
| N36 | C37 | C38 | H33 | 146.1° | 0.1° |
| N36 | C37 | C39 | H34 | 2.8° | 0.1° |
| N36 | C37 | C39 | H35 | 143.9° | 145.0° |
| C38 | C37 | N36 | C35 | 88.6° | 157.7° |
| C37 | C38 | H32 | H33 | 144.7° | 145.8° |
| C38 | C37 | N36 | H39 | 91.4° | 22.2° |
| N36 | C35 | C33 | O34 | 16.9° | 171.1° |
| N36 | C35 | C33 | O40 | 177.4° | 180.0° |
| N36 | C35 | C33 | C24 | 105.0° | 68.9° |
| N36 | C35 | C33 | H30 | 138.1° | 51.1° |
| C35 | N36 | C37 | H31 | 59.1° | 12.1° |
| O34 | C33 | C35 | C24 | 121.9° | 120.0° |
| O34 | C33 | C35 | H30 | 121.2° | 120.0° |
| O34 | C33 | C35 | O40 | 165.7° | 8.9° |
| O34 | C33 | C24 | H30 | 120.3° | 120.0° |
| O34 | C33 | C24 | C25 | 64.2° | 54.1° |
| O34 | C33 | C24 | N23 | 52.4° | 65.9° |
| O34 | C33 | C24 | H4 | 174.0° | 174.1° |
| C35 | C33 | C24 | H30 | 116.8° | 119.9° |
| C35 | C33 | C24 | C25 | 58.7° | 65.9° |
| C35 | C33 | C24 | N23 | 175.4° | 174.1° |
| C35 | C33 | C24 | H4 | 63.0° | 54.1° |
| C33 | C35 | N36 | H39 | 0.4° | 4.3° |
| C35 | C33 | O34 | H40 | 180.0° | 59.9° |
| O40 | C35 | C33 | C24 | 72.4° | 111.1° |
| O40 | C35 | C33 | H30 | 44.5° | 128.9° |
| O40 | C35 | N36 | H39 | 177.9° | 175.7° |
| C33 | C24 | C25 | N23 | 117.2° | 120.0° |
| C33 | C24 | C25 | H4 | 121.9° | 120.0° |
| C33 | C24 | C25 | C26 | 175.5° | 177.1° |
| C33 | C24 | N23 | H4 | 120.9° | 120.0° |
| C33 | C24 | N23 | C2 | 120.1° | 86.1° |
| C33 | C24 | C25 | H8 | 55.0° | 62.8° |
| C33 | C24 | C25 | H9 | 64.0° | 57.1° |
| C33 | C24 | N23 | H37 | 59.9° | 94.0° |
| C24 | C33 | O34 | H40 | 59.5° | 60.1° |
| O32 | C31 | C26 | C25 | 62.0° | 42.3° |
| O32 | C31 | C26 | N30 | 179.8° | 180.0° |
| O32 | C31 | C26 | C27 | 174.1° | 162.4° |
| O32 | C31 | N30 | C29 | 179.8° | 177.8° |
| O32 | C31 | C26 | H23 | 53.2° | 77.4° |
| O32 | C31 | N30 | H38 | 0.2° | 2.2° |
| C24 | C25 | C26 | H8 | 120.5° | 120.0° |
| C24 | C25 | C26 | H9 | 120.5° | 120.0° |
| C25 | C24 | N23 | H4 | 120.0° | 120.0° |
| C25 | C24 | N23 | C2 | 120.8° | 153.9° |
| C24 | C25 | C26 | C31 | 167.0° | 174.2° |
| C24 | C25 | C26 | C27 | 65.9° | 65.4° |
| C24 | C25 | H8 | H9 | 118.4° | 119.9° |
| C24 | C25 | C26 | H23 | 51.7° | 54.5° |
| C25 | C24 | C33 | H30 | 175.5° | 174.1° |
| C25 | C24 | N23 | H37 | 59.2° | 26.1° |
| C26 | C25 | C24 | N23 | 58.3° | 62.9° |
| C25 | C26 | C31 | C27 | 123.8° | 120.1° |
| C25 | C26 | C31 | H23 | 115.2° | 119.7° |
| C25 | C26 | C31 | N30 | 118.2° | 137.7° |
| C25 | C26 | C27 | H23 | 116.2° | 119.8° |
| C25 | C26 | C27 | C28 | 86.4° | 169.0° |
| C26 | C25 | C24 | H4 | 62.6° | 57.1° |
| C26 | C25 | H8 | H9 | 118.5° | 120.0° |
| C25 | C26 | C27 | H24 | 34.2° | 49.3° |
| C25 | C26 | C27 | H25 | 152.9° | 71.3° |
| C24 | N23 | C2 | H37 | 180.0° | 179.9° |
| C24 | N23 | C2 | C3 | 179.7° | 175.0° |
| C24 | N23 | C2 | O1 | 0.7° | 5.0° |
| N23 | C24 | C25 | H8 | 62.2° | 57.2° |
| N23 | C24 | C25 | H9 | 178.8° | 177.1° |
| N23 | C24 | C33 | H30 | 67.9° | 54.1° |
| N23 | C2 | C3 | C4 | 91.9° | 75.4° |
| N23 | C2 | C3 | O1 | 178.9° | 180.0° |
| N23 | C2 | C3 | N11 | 151.4° | 164.6° |
| C2 | N23 | C24 | H4 | 0.8° | 33.9° |
| N23 | C2 | C3 | H10 | 30.1° | 44.6° |
| C31 | C26 | C27 | H23 | 119.9° | 120.1° |
| C26 | C31 | N30 | C29 | 0.0° | 2.2° |
| C31 | C26 | C27 | C28 | 37.4° | 48.9° |
| C31 | C26 | C25 | H8 | 46.5° | 54.2° |
| C31 | C26 | C25 | H9 | 72.6° | 65.8° |
| C31 | C26 | C27 | H24 | 158.0° | 70.8° |
| C31 | C26 | C27 | H25 | 83.2° | 168.6° |
| C26 | C31 | N30 | H38 | 180.0° | 177.8° |
| N30 | C31 | C26 | C27 | 5.6° | 17.6° |
| C31 | N30 | C29 | H38 | 180.0° | 180.0° |
| C31 | N30 | C29 | C28 | 25.3° | 19.1° |
| N30 | C31 | C26 | H23 | 126.6° | 102.6° |
| C31 | N30 | C29 | H28 | 95.3° | 101.3° |
| C31 | N30 | C29 | H29 | 145.8° | 139.3° |
| C7 | C8 | C9 | H18 | 120.4° | 120.0° |
| C7 | C8 | C9 | H19 | 120.4° | 120.0° |
| C8 | C7 | C6 | H16 | 120.3° | 120.0° |
| C8 | C7 | C6 | H17 | 120.3° | 120.0° |
| C8 | C7 | C6 | C5 | 55.5° | 60.0° |
| C7 | C8 | C9 | C10 | 53.1° | 60.0° |
| C8 | C7 | C6 | H14 | 175.7° | 60.0° |
| C8 | C7 | C6 | H15 | 64.7° | 180.0° |
| C8 | C7 | H16 | H17 | 119.1° | 120.0° |
| C7 | C8 | H18 | H19 | 118.8° | 120.0° |
| C7 | C8 | C9 | H20 | 173.4° | 60.0° |
| C7 | C8 | C9 | H21 | 67.3° | 180.0° |
| C9 | C8 | C7 | C6 | 54.5° | 60.0° |
| C8 | C9 | C10 | H20 | 120.4° | 120.0° |
| C8 | C9 | C10 | H21 | 120.4° | 120.0° |
| C8 | C9 | C10 | C5 | 52.9° | 60.0° |
| C8 | C9 | C10 | H1 | 67.5° | 180.0° |
| C8 | C9 | C10 | H2 | 173.2° | 60.0° |
| C9 | C8 | C7 | H16 | 65.8° | 180.0° |
| C9 | C8 | C7 | H17 | 174.8° | 60.0° |
| C9 | C8 | H18 | H19 | 118.8° | 120.0° |
| C8 | C9 | H20 | H21 | 118.9° | 120.0° |
| C26 | C27 | C28 | H24 | 120.6° | 119.7° |
| C26 | C27 | C28 | H25 | 120.7° | 119.8° |
| C26 | C27 | C28 | C29 | 65.7° | 67.5° |
| C27 | C26 | C25 | H8 | 173.6° | 174.6° |
| C27 | C26 | C25 | H9 | 54.6° | 54.6° |
| C26 | C27 | H24 | H25 | 118.1° | 120.6° |
| C26 | C27 | C28 | H26 | 54.6° | 172.7° |
| C26 | C27 | C28 | H27 | 174.0° | 52.4° |
| N30 | C29 | C28 | C27 | 58.2° | 50.7° |
| N30 | C29 | C28 | H28 | 120.6° | 120.3° |
| N30 | C29 | C28 | H29 | 120.6° | 120.1° |
| N30 | C29 | C28 | H26 | 62.2° | 170.5° |
| N30 | C29 | C28 | H27 | 178.5° | 69.1° |
| N30 | C29 | H28 | H29 | 118.3° | 119.3° |
| C7 | C6 | C5 | H14 | 120.2° | 120.0° |
| C7 | C6 | C5 | H15 | 120.2° | 120.0° |
| C7 | C6 | C5 | C10 | 55.5° | 60.0° |
| C7 | C6 | C5 | C4 | 174.5° | NaN° |
| C7 | C6 | C5 | H13 | 66.1° | 60.0° |
| C7 | C6 | H14 | H15 | 119.4° | 120.0° |
| C6 | C7 | H16 | H17 | 119.1° | 120.0° |
| C6 | C7 | C8 | H18 | 65.9° | 60.0° |
| C6 | C7 | C8 | H19 | 174.9° | 180.0° |
| C6 | C5 | C10 | C9 | 54.4° | 60.0° |
| C6 | C5 | C10 | C4 | 119.6° | 120.0° |
| C6 | C5 | C10 | H13 | 121.6° | 120.0° |
| C6 | C5 | C4 | C3 | 55.4° | 65.0° |
| C6 | C5 | C4 | H13 | 119.6° | 120.0° |
| C6 | C5 | C10 | H1 | 66.0° | 180.0° |
| C6 | C5 | C10 | H2 | 174.7° | 60.0° |
| C6 | C5 | C4 | H11 | 175.8° | 175.0° |
| C6 | C5 | C4 | H12 | 65.1° | 55.0° |
| C5 | C6 | H14 | H15 | 119.4° | 120.0° |
| C5 | C6 | C7 | H16 | 64.8° | 180.0° |
| C5 | C6 | C7 | H17 | 175.8° | 60.0° |
| C9 | C10 | C5 | H1 | 120.3° | 120.0° |
| C9 | C10 | C5 | H2 | 120.4° | 120.0° |
| C9 | C10 | C5 | C4 | 174.0° | 180.0° |
| C9 | C10 | H1 | H2 | 119.0° | 120.0° |
| C9 | C10 | C5 | H13 | 67.3° | 60.0° |
| C10 | C9 | C8 | H18 | 67.3° | 60.0° |
| C10 | C9 | C8 | H19 | 173.5° | 180.0° |
| C10 | C9 | H20 | H21 | 118.9° | 120.0° |
| C10 | C5 | C4 | C3 | 176.8° | 175.0° |
| C10 | C5 | C4 | H13 | 119.0° | 120.0° |
| C5 | C10 | H1 | H2 | 118.9° | 120.0° |
| C10 | C5 | C4 | H11 | 62.8° | 55.0° |
| C10 | C5 | C4 | H12 | 56.3° | 65.0° |
| C10 | C5 | C6 | H14 | 175.7° | 60.0° |
| C10 | C5 | C6 | H15 | 64.7° | 180.0° |
| C5 | C10 | C9 | H20 | 173.2° | 60.0° |
| C5 | C10 | C9 | H21 | 67.5° | 180.0° |
| C3 | C4 | C5 | H11 | 120.4° | 120.0° |
| C3 | C4 | C5 | H12 | 120.4° | 120.0° |
| C4 | C3 | C2 | N11 | 116.7° | 120.0° |
| C4 | C3 | C2 | H10 | 122.0° | 120.0° |
| C4 | C3 | C2 | O1 | 89.2° | 104.6° |
| C4 | C3 | N11 | H10 | 123.8° | 120.0° |
| C4 | C3 | N11 | C12 | 174.1° | 109.3° |
| C3 | C4 | H11 | H12 | 118.7° | 120.0° |
| C3 | C4 | C5 | H13 | 64.3° | 55.0° |
| C4 | C3 | N11 | H36 | 5.9° | 70.7° |
| C5 | C4 | C3 | C2 | 165.5° | 175.0° |
| C5 | C4 | C3 | N11 | 52.3° | 65.0° |
| C4 | C5 | C10 | H1 | 53.7° | 60.0° |
| C4 | C5 | C10 | H2 | 65.6° | 60.0° |
| C5 | C4 | C3 | H10 | 72.4° | 55.0° |
| C5 | C4 | H11 | H12 | 118.7° | 120.0° |
| C4 | C5 | C6 | H14 | 65.3° | 60.0° |
| C4 | C5 | C6 | H15 | 54.3° | 60.0° |
| C2 | C3 | N11 | H10 | 120.3° | 120.0° |
| C2 | C3 | N11 | C12 | 70.0° | 130.7° |
| C2 | C3 | C4 | H11 | 45.1° | 65.0° |
| C2 | C3 | C4 | H12 | 74.1° | 55.0° |
| C2 | C3 | N11 | H36 | 109.9° | 49.3° |
| C3 | C2 | N23 | H37 | 0.3° | 5.0° |
| O1 | C2 | C3 | N11 | 27.5° | 15.4° |
| O1 | C2 | C3 | H10 | 148.8° | 135.4° |
| O1 | C2 | N23 | H37 | 179.3° | 175.0° |
| C3 | N11 | C12 | O22 | 0.6° | 0.1° |
| C3 | N11 | C12 | H36 | 180.0° | 179.9° |
| C3 | N11 | C12 | C13 | 178.4° | 180.0° |
| N11 | C3 | C4 | H11 | 68.1° | 55.0° |
| N11 | C3 | C4 | H12 | 172.7° | 175.0° |
| C27 | C28 | C29 | H26 | 120.3° | 119.8° |
| C27 | C28 | C29 | H27 | 120.3° | 119.8° |
| C28 | C27 | C26 | H23 | 157.3° | 71.2° |
| C28 | C27 | H24 | H25 | 118.0° | 120.5° |
| C27 | C28 | H26 | H27 | 119.0° | 120.3° |
| C27 | C28 | C29 | H28 | 62.4° | 69.6° |
| C27 | C28 | C29 | H29 | 178.7° | 170.8° |
| C29 | C28 | C27 | H24 | 173.7° | 52.2° |
| C29 | C28 | C27 | H25 | 54.9° | 172.7° |
| C29 | C28 | H26 | H27 | 119.0° | 120.5° |
| C28 | C29 | H28 | H29 | 118.3° | 119.6° |
| C28 | C29 | N30 | H38 | 154.7° | 160.9° |
| O22 | C12 | N11 | C13 | 179.0° | 179.9° |
| O22 | C12 | C13 | C14 | 164.0° | 0.0° |
| O22 | C12 | C13 | O21 | 18.9° | 179.7° |
| O22 | C12 | N11 | H36 | 179.4° | 180.0° |
| N11 | C12 | C13 | C14 | 17.1° | 179.9° |
| N11 | C12 | C13 | O21 | 160.0° | 0.3° |
| C12 | N11 | C3 | H10 | 50.3° | 10.7° |
| C12 | C13 | C14 | O21 | 177.6° | 179.7° |
| C12 | C13 | C14 | C15 | 178.4° | 180.0° |
| C12 | C13 | O21 | C20 | 178.2° | 179.9° |
| C12 | C13 | C14 | H5 | 1.6° | 0.1° |
| C13 | C12 | N11 | H36 | 1.6° | 0.1° |
| C13 | C14 | C15 | H5 | 180.0° | 179.9° |
| C14 | C13 | O21 | C20 | 0.8° | 0.4° |
| C13 | C14 | C15 | C20 | 0.5° | 0.1° |
| C13 | C14 | C15 | C16 | 179.0° | 179.7° |
| O21 | C13 | C14 | C15 | 0.8° | 0.3° |
| C13 | O21 | C20 | C15 | 0.5° | 0.4° |
| C13 | O21 | C20 | C19 | 179.3° | 179.6° |
| O21 | C13 | C14 | H5 | 179.2° | 179.8° |
| C14 | C15 | C20 | O21 | 0.0° | 0.2° |
| C14 | C15 | C20 | C16 | 179.6° | 179.8° |
| C14 | C15 | C20 | C19 | 179.8° | 179.8° |
| C14 | C15 | C16 | C17 | 179.6° | 179.7° |
| C14 | C15 | C16 | H22 | 0.4° | 0.3° |
| O21 | C20 | C15 | C19 | 179.9° | 180.0° |
| O21 | C20 | C15 | C16 | 179.6° | 180.0° |
| O21 | C20 | C19 | C18 | 179.6° | 179.9° |
| O21 | C20 | C19 | H7 | 0.4° | 0.0° |
| C20 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C20 | C19 | C18 | 0.3° | 0.0° |
| C20 | C15 | C14 | H5 | 179.5° | 179.9° |
| C15 | C20 | C19 | H7 | 179.7° | 179.9° |
| C20 | C15 | C16 | H22 | 179.9° | 180.0° |
| C16 | C15 | C20 | C19 | 0.2° | 0.0° |
| C15 | C16 | C17 | H22 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H3 | 179.9° | 180.0° |
| C16 | C15 | C14 | H5 | 0.9° | 0.2° |
| C20 | C19 | C18 | H7 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H6 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H3 | 180.0° | 180.0° |
| C16 | C17 | C18 | H6 | 179.9° | 180.0° |
| C19 | C18 | C17 | H6 | 180.0° | 180.0° |
| C19 | C18 | C17 | H3 | 179.9° | 180.0° |
| C17 | C18 | C19 | H7 | 179.8° | 180.0° |
| C18 | C17 | C16 | H22 | 179.9° | 180.0° |
| H1 | C10 | C5 | H13 | 172.4° | 60.0° |
| H1 | C10 | C9 | H20 | 52.9° | 60.0° |
| H1 | C10 | C9 | H21 | 172.2° | 60.0° |
| H2 | C10 | C5 | H13 | 53.1° | 180.0° |
| H2 | C10 | C9 | H20 | 66.4° | 180.0° |
| H2 | C10 | C9 | H21 | 52.8° | 60.0° |
| H3 | C17 | C18 | H6 | 0.1° | 0.0° |
| H3 | C17 | C16 | H22 | 0.0° | 0.0° |
| H4 | C24 | C25 | H8 | 176.9° | 177.1° |
| H4 | C24 | C25 | H9 | 57.9° | 62.9° |
| H4 | C24 | C33 | H30 | 53.7° | 65.9° |
| H4 | C24 | N23 | H37 | 179.2° | 146.0° |
| H6 | C18 | C19 | H7 | 0.2° | 0.1° |
| H8 | C25 | C26 | H23 | 68.8° | 65.5° |
| H9 | C25 | C26 | H23 | 172.2° | 174.5° |
| H10 | C3 | C4 | H11 | 167.2° | 175.0° |
| H10 | C3 | C4 | H12 | 48.0° | 65.0° |
| H10 | C3 | N11 | H36 | 129.7° | 169.3° |
| H11 | C4 | C5 | H13 | 56.1° | 65.0° |
| H12 | C4 | C5 | H13 | 175.3° | 175.0° |
| H13 | C5 | C6 | H14 | 54.1° | 180.0° |
| H13 | C5 | C6 | H15 | 173.7° | 60.0° |
| H14 | C6 | C7 | H16 | 55.4° | 60.0° |
| H14 | C6 | C7 | H17 | 64.0° | 180.0° |
| H15 | C6 | C7 | H16 | 175.0° | 60.0° |
| H15 | C6 | C7 | H17 | 55.6° | 60.0° |
| H16 | C7 | C8 | H18 | 173.8° | 60.0° |
| H16 | C7 | C8 | H19 | 54.6° | 60.0° |
| H17 | C7 | C8 | H18 | 54.4° | NaN° |
| H17 | C7 | C8 | H19 | 64.8° | 60.0° |
| H18 | C8 | C9 | H20 | 53.0° | 180.0° |
| H18 | C8 | C9 | H21 | 172.3° | 60.0° |
| H19 | C8 | C9 | H20 | 66.2° | 60.0° |
| H19 | C8 | C9 | H21 | 53.1° | 60.0° |
| H23 | C26 | C27 | H24 | 82.1° | 169.1° |
| H23 | C26 | C27 | H25 | 36.7° | 48.5° |
| H24 | C27 | C28 | H26 | 66.0° | 67.6° |
| H24 | C27 | C28 | H27 | 53.4° | 172.1° |
| H25 | C27 | C28 | H26 | 175.3° | 52.9° |
| H25 | C27 | C28 | H27 | 65.4° | 67.4° |
| H26 | C28 | C29 | H28 | 177.3° | 50.2° |
| H26 | C28 | C29 | H29 | 58.4° | 69.4° |
| H27 | C28 | C29 | H28 | 57.9° | 170.6° |
| H27 | C28 | C29 | H29 | 60.9° | 51.0° |
| H28 | C29 | N30 | H38 | 84.7° | 78.7° |
| H29 | C29 | N30 | H38 | 34.1° | 40.7° |
| H30 | C33 | O34 | H40 | 59.9° | 179.9° |
| H31 | C37 | C38 | H32 | 143.0° | 0.1° |
| H31 | C37 | C38 | H33 | 2.0° | 145.0° |
| H31 | C37 | C39 | H34 | 143.0° | 145.1° |
| H31 | C37 | C39 | H35 | 1.9° | 0.0° |
| H31 | C37 | N36 | H39 | 120.9° | 167.8° |
| H32 | C38 | C39 | H34 | 0.1° | 145.0° |
| H32 | C38 | C39 | H35 | 141.1° | 0.0° |
| H33 | C38 | C39 | H34 | 141.1° | 0.0° |
| H33 | C38 | C39 | H35 | 0.1° | 145.0° |
