GDT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.35Å | 1.36Å | |
| C1 | C12 | sing | 1.46Å | 1.48Å | |
| C2 | C3 | sing | 1.46Å | 1.48Å | |
| C3 | C4 | doub | 1.33Å | 1.37Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| O37 | C12 | doub | 1.22Å | 1.25Å | |
| C12 | N13 | sing | 1.35Å | 1.38Å | |
| N13 | C14 | sing | 1.46Å | 1.52Å | |
| C14 | C34 | sing | 1.53Å | 1.59Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C34 | C36 | sing | 1.53Å | 1.55Å | |
| C34 | O35 | sing | 1.43Å | 1.45Å | |
| C15 | O33 | doub | 1.21Å | 1.21Å | |
| C15 | N16 | sing | 1.35Å | 1.30Å | |
| N16 | C17 | sing | 1.47Å | 1.43Å | |
| C17 | C31 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.57Å | |
| C31 | O32 | doub | 1.21Å | 1.26Å | |
| C31 | N30 | sing | 1.36Å | 1.39Å | |
| N30 | C28 | sing | 1.48Å | 1.47Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | doub | 1.33Å | 1.59Å | |
| C26 | C24 | sing | 1.47Å | 1.52Å | |
| C24 | O25 | doub | 1.22Å | 1.25Å | |
| C24 | N23 | sing | 1.36Å | 1.36Å | |
| N23 | C22 | sing | 1.48Å | 1.44Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C9 | C10 | sing | 1.53Å | 1.59Å | |
| C10 | C11 | sing | 1.53Å | 1.60Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| O35 | HO35 | sing | 0.97Å | 0.95Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.07Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C12 | 124.1° | 120.0° |
| C1 | C2 | C3 | 118.9° | 120.0° |
| C2 | C1 | H1 | 117.9° | 120.0° |
| C1 | C2 | H2 | 120.5° | 120.1° |
| C1 | C12 | O37 | 117.6° | 120.0° |
| C1 | C12 | N13 | 121.6° | 120.0° |
| C12 | C1 | H1 | 117.9° | 120.0° |
| C2 | C3 | C4 | 126.8° | 120.0° |
| C3 | C2 | H2 | 120.5° | 120.0° |
| C2 | C3 | H3 | 116.6° | 120.0° |
| C3 | C4 | C5 | 118.0° | 120.0° |
| C4 | C3 | H3 | 116.6° | 120.0° |
| C3 | C4 | H4 | 121.0° | 120.0° |
| C4 | C5 | C6 | 116.6° | 109.5° |
| C5 | C4 | H4 | 121.0° | 120.0° |
| C4 | C5 | H5 | 107.2° | 109.5° |
| C4 | C5 | H5A | 105.5° | 109.5° |
| C5 | C6 | C7 | 111.3° | 109.5° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C6 | C5 | H5A | 105.5° | 109.4° |
| C5 | C6 | H6 | 108.9° | 109.4° |
| C5 | C6 | H6A | 108.4° | 109.4° |
| C6 | C7 | C8 | 116.0° | 109.5° |
| C7 | C6 | H6 | 108.9° | 109.5° |
| C7 | C6 | H6A | 108.5° | 109.5° |
| C6 | C7 | H7 | 107.3° | 109.5° |
| C6 | C7 | H7A | 105.8° | 109.4° |
| O37 | C12 | N13 | 120.8° | 120.0° |
| C12 | N13 | C14 | 120.3° | 120.0° |
| C12 | N13 | HN13 | 119.9° | 120.0° |
| N13 | C14 | C34 | 114.5° | 109.5° |
| N13 | C14 | C15 | 111.6° | 109.4° |
| C14 | N13 | HN13 | 119.9° | 120.0° |
| N13 | C14 | H14 | 105.3° | 109.5° |
| C34 | C14 | C15 | 112.2° | 109.5° |
| C14 | C34 | C36 | 112.2° | 109.4° |
| C14 | C34 | O35 | 109.4° | 109.5° |
| C34 | C14 | H14 | 104.6° | 109.5° |
| C14 | C34 | H34 | 108.2° | 109.5° |
| C14 | C15 | O33 | 119.9° | 120.0° |
| C14 | C15 | N16 | 117.1° | 120.0° |
| C15 | C14 | H14 | 108.0° | 109.4° |
| C36 | C34 | O35 | 111.0° | 109.5° |
| C36 | C34 | H34 | 106.5° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.5° |
| C34 | C36 | H36A | 109.5° | 109.4° |
| C34 | C36 | H36B | 109.4° | 109.5° |
| O35 | C34 | H34 | 109.5° | 109.4° |
| C34 | O35 | HO35 | 109.5° | 114.0° |
| O33 | C15 | N16 | 123.0° | 120.0° |
| C15 | N16 | C17 | 121.5° | 120.0° |
| C15 | N16 | HN16 | 119.2° | 120.0° |
| N16 | C17 | C31 | 113.0° | 109.6° |
| N16 | C17 | C18 | 110.0° | 109.6° |
| C17 | N16 | HN16 | 119.3° | 120.0° |
| N16 | C17 | H17 | 106.1° | 109.6° |
| C31 | C17 | C18 | 107.7° | 108.8° |
| C17 | C31 | O32 | 118.5° | 119.9° |
| C17 | C31 | N30 | 118.2° | 120.1° |
| C31 | C17 | H17 | 108.5° | 109.6° |
| C17 | C18 | C19 | 116.4° | 110.0° |
| C18 | C17 | H17 | 111.6° | 109.7° |
| C17 | C18 | H18 | 107.2° | 109.4° |
| C17 | C18 | H18A | 105.6° | 109.4° |
| O32 | C31 | N30 | 123.0° | 119.9° |
| C31 | N30 | C28 | 121.0° | 116.9° |
| C31 | N30 | HN30 | 119.5° | 121.6° |
| N30 | C28 | C29 | 110.3° | 109.8° |
| N30 | C28 | C27 | 107.1° | 107.5° |
| C28 | N30 | HN30 | 119.5° | 121.5° |
| N30 | C28 | H28 | 111.2° | 109.9° |
| C29 | C28 | C27 | 111.5° | 109.9° |
| C29 | C28 | H28 | 106.7° | 109.8° |
| C28 | C29 | H29 | 109.5° | 109.4° |
| C28 | C29 | H29A | 109.4° | 109.5° |
| C28 | C29 | H29B | 109.4° | 109.5° |
| C28 | C27 | C26 | 112.5° | 118.8° |
| C27 | C28 | H28 | 110.0° | 109.9° |
| C28 | C27 | H27 | 123.7° | 119.9° |
| C27 | C26 | C24 | 111.8° | 121.7° |
| C26 | C27 | H27 | 123.7° | 121.3° |
| C27 | C26 | H26 | 124.1° | 119.3° |
| C26 | C24 | O25 | 115.3° | 120.8° |
| C26 | C24 | N23 | 125.9° | 118.4° |
| C24 | C26 | H26 | 124.1° | 119.1° |
| O25 | C24 | N23 | 118.7° | 120.8° |
| C24 | N23 | C22 | 127.1° | 117.8° |
| C24 | N23 | HN23 | 116.5° | 121.1° |
| N23 | C22 | C21 | 109.9° | 109.1° |
| C22 | N23 | HN23 | 116.4° | 121.1° |
| N23 | C22 | H22 | 109.3° | 109.5° |
| N23 | C22 | H22A | 109.2° | 109.5° |
| C22 | C21 | C19 | 114.8° | 110.0° |
| C21 | C22 | H22 | 109.3° | 109.5° |
| C21 | C22 | H22A | 109.2° | 109.5° |
| C22 | C21 | H21 | 107.7° | 109.4° |
| C22 | C21 | H21A | 106.5° | 109.4° |
| C21 | C19 | O20 | 106.3° | 109.3° |
| C21 | C19 | C18 | 110.4° | 110.2° |
| C19 | C21 | H21 | 107.8° | 109.4° |
| C19 | C21 | H21A | 106.5° | 109.4° |
| C21 | C19 | H19 | 110.9° | 109.3° |
| O20 | C19 | C18 | 109.2° | 109.4° |
| O20 | C19 | H19 | 112.1° | 109.3° |
| C19 | O20 | HO20 | 109.5° | 114.0° |
| C18 | C19 | H19 | 108.1° | 109.2° |
| C19 | C18 | H18 | 107.2° | 109.4° |
| C19 | C18 | H18A | 105.6° | 109.4° |
| C7 | C8 | C9 | 106.1° | 109.4° |
| C8 | C7 | H7 | 107.4° | 109.5° |
| C8 | C7 | H7A | 105.8° | 109.5° |
| C7 | C8 | H8 | 110.6° | 109.5° |
| C7 | C8 | H8A | 111.3° | 109.4° |
| C8 | C9 | C10 | 111.6° | 109.4° |
| C9 | C8 | H8 | 110.6° | 109.5° |
| C9 | C8 | H8A | 111.4° | 109.5° |
| C8 | C9 | H9 | 108.8° | 109.5° |
| C8 | C9 | H9A | 108.3° | 109.5° |
| C9 | C10 | C11 | 107.2° | 109.4° |
| C10 | C9 | H9 | 108.7° | 109.5° |
| C10 | C9 | H9A | 108.3° | 109.5° |
| C9 | C10 | H10 | 110.2° | 109.5° |
| C9 | C10 | H10A | 110.7° | 109.5° |
| C11 | C10 | H10 | 110.2° | 109.4° |
| C11 | C10 | H10A | 110.7° | 109.4° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.4° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| H5 | C5 | H5A | 115.2° | 109.5° |
| H6 | C6 | H6A | 110.9° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.4° |
| H36 | C36 | H36B | 109.4° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.4° |
| H29 | C29 | H29A | 109.4° | 109.5° |
| H29 | C29 | H29B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.8° | 109.6° |
| H21 | C21 | H21A | 113.7° | 109.3° |
| H18 | C18 | H18A | 115.1° | 109.3° |
| H7 | C7 | H7A | 114.8° | 109.4° |
| H8 | C8 | H8A | 106.9° | 109.5° |
| H9 | C9 | H9A | 111.2° | 109.5° |
| H10 | C10 | H10A | 107.8° | 109.6° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C12 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C2 | C1 | C12 | O37 | 0.9° | 0.0° |
| C2 | C1 | C12 | N13 | 178.3° | 180.0° |
| C1 | C2 | C3 | H3 | 0.4° | 0.0° |
| C12 | C1 | C2 | C3 | 178.6° | 180.0° |
| C1 | C12 | O37 | N13 | 177.4° | 180.0° |
| C1 | C12 | N13 | C14 | 176.4° | 180.0° |
| C12 | C1 | C2 | H2 | 1.4° | 0.0° |
| C1 | C12 | N13 | HN13 | 3.6° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 177.9° | 180.0° |
| C3 | C2 | C1 | H1 | 1.4° | 0.2° |
| C2 | C3 | C4 | H4 | 2.1° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 163.7° | 125.0° |
| C4 | C3 | C2 | H2 | 0.4° | 0.0° |
| C3 | C4 | C5 | H5 | 76.3° | 115.0° |
| C3 | C4 | C5 | H5A | 47.0° | 5.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 116.7° | 120.0° |
| C4 | C5 | C6 | C7 | 114.0° | 180.0° |
| C5 | C4 | C3 | H3 | 2.1° | 0.0° |
| C4 | C5 | H5 | H5A | 117.1° | 120.0° |
| C4 | C5 | C6 | H6 | 126.0° | 59.9° |
| C4 | C5 | C6 | H6A | 5.2° | 60.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 119.2° | 120.0° |
| C5 | C6 | C7 | C8 | 179.8° | 180.0° |
| C6 | C5 | C4 | H4 | 16.3° | 55.0° |
| C6 | C5 | H5 | H5A | 117.1° | 120.0° |
| C5 | C6 | H6 | H6A | 119.2° | 119.9° |
| C5 | C6 | C7 | H7 | 60.2° | 60.0° |
| C5 | C6 | C7 | H7A | 62.8° | 59.9° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 117.0° | 120.0° |
| C6 | C7 | C8 | C9 | 179.5° | 180.0° |
| C7 | C6 | C5 | H5 | 5.9° | 60.0° |
| C7 | C6 | C5 | H5A | 129.2° | 60.0° |
| C7 | C6 | H6 | H6A | 119.3° | 120.0° |
| C6 | C7 | H7 | H7A | 117.3° | 119.9° |
| C6 | C7 | C8 | H8 | 60.5° | 60.0° |
| C6 | C7 | C8 | H8A | 58.2° | 60.0° |
| O37 | C12 | N13 | C14 | 0.9° | 0.0° |
| O37 | C12 | C1 | H1 | 179.1° | 179.8° |
| O37 | C12 | N13 | HN13 | 179.1° | 180.0° |
| C12 | N13 | C14 | HN13 | 180.0° | 180.0° |
| C12 | N13 | C14 | C34 | 171.7° | 85.0° |
| C12 | N13 | C14 | C15 | 59.4° | 155.0° |
| N13 | C12 | C1 | H1 | 1.7° | 0.3° |
| C12 | N13 | C14 | H14 | 57.4° | 35.1° |
| N13 | C14 | C34 | C15 | 128.5° | 120.0° |
| N13 | C14 | C34 | H14 | 114.7° | 120.1° |
| N13 | C14 | C15 | H14 | 115.2° | 120.0° |
| N13 | C14 | C34 | C36 | 49.9° | 59.3° |
| N13 | C14 | C34 | O35 | 73.6° | 60.7° |
| N13 | C14 | C15 | O33 | 37.6° | 12.4° |
| N13 | C14 | C15 | N16 | 140.6° | 167.6° |
| N13 | C14 | C34 | H34 | 167.2° | 179.3° |
| C34 | C14 | C15 | H14 | 114.7° | 120.0° |
| C14 | C34 | C36 | O35 | 122.7° | 120.0° |
| C14 | C34 | C36 | H34 | 118.2° | 120.0° |
| C14 | C34 | O35 | H34 | 118.4° | 120.0° |
| C34 | C14 | C15 | O33 | 92.4° | 107.6° |
| C34 | C14 | C15 | N16 | 89.3° | 72.4° |
| C34 | C14 | N13 | HN13 | 8.3° | 95.0° |
| C14 | C34 | C36 | H36 | 163.6° | 67.0° |
| C14 | C34 | C36 | H36A | 43.5° | 173.0° |
| C14 | C34 | C36 | H36B | 76.5° | 53.1° |
| C14 | C34 | O35 | HO35 | 110.4° | 60.0° |
| C15 | C14 | C34 | C36 | 178.5° | 179.3° |
| C15 | C14 | C34 | O35 | 54.9° | 59.3° |
| C14 | C15 | O33 | N16 | 178.1° | 180.0° |
| C14 | C15 | N16 | C17 | 177.9° | 175.1° |
| C15 | C14 | N13 | HN13 | 120.6° | 25.0° |
| C15 | C14 | C34 | H34 | 64.3° | 60.7° |
| C14 | C15 | N16 | HN16 | 2.1° | 4.9° |
| C36 | C34 | O35 | H34 | 117.3° | 120.0° |
| C36 | C34 | C14 | H14 | 64.8° | 60.8° |
| C34 | C36 | H36 | H36A | 120.0° | 120.0° |
| C34 | C36 | H36 | H36B | 120.0° | 120.1° |
| C34 | C36 | H36A | H36B | 120.0° | 120.0° |
| C36 | C34 | O35 | HO35 | 13.9° | 180.0° |
| O35 | C34 | C14 | H14 | 171.7° | 179.2° |
| O35 | C34 | C36 | H36 | 73.8° | 53.0° |
| O35 | C34 | C36 | H36A | 166.2° | 67.0° |
| O35 | C34 | C36 | H36B | 46.2° | 173.1° |
| O33 | C15 | N16 | C17 | 0.3° | 4.9° |
| O33 | C15 | C14 | H14 | 152.8° | 132.4° |
| O33 | C15 | N16 | HN16 | 179.8° | 175.1° |
| C15 | N16 | C17 | HN16 | 180.0° | 180.0° |
| C15 | N16 | C17 | C31 | 93.2° | 130.0° |
| C15 | N16 | C17 | C18 | 146.4° | 110.7° |
| N16 | C15 | C14 | H14 | 25.4° | 47.6° |
| C15 | N16 | C17 | H17 | 25.5° | 9.7° |
| N16 | C17 | C31 | C18 | 121.7° | 119.8° |
| N16 | C17 | C31 | H17 | 117.4° | 120.3° |
| N16 | C17 | C18 | H17 | 117.5° | 120.4° |
| N16 | C17 | C31 | O32 | 37.0° | 169.9° |
| N16 | C17 | C31 | N30 | 149.4° | 10.1° |
| N16 | C17 | C18 | C19 | 150.8° | 13.3° |
| N16 | C17 | C18 | H18 | 30.8° | 133.4° |
| N16 | C17 | C18 | H18A | 92.4° | 106.9° |
| C31 | C17 | C18 | H17 | 118.9° | 119.9° |
| C17 | C31 | O32 | N30 | 173.3° | 180.0° |
| C17 | C31 | N30 | C28 | 172.1° | 164.5° |
| C31 | C17 | C18 | C19 | 85.6° | 106.5° |
| C31 | C17 | N16 | HN16 | 86.8° | 50.0° |
| C17 | C31 | N30 | HN30 | 8.0° | 15.5° |
| C31 | C17 | C18 | H18 | 154.4° | 13.7° |
| C31 | C17 | C18 | H18A | 31.2° | 133.4° |
| C18 | C17 | C31 | O32 | 84.7° | 50.2° |
| C18 | C17 | C31 | N30 | 88.9° | 129.9° |
| C17 | C18 | C19 | C21 | 165.4° | 77.9° |
| C17 | C18 | C19 | O20 | 78.1° | 42.4° |
| C17 | C18 | C19 | H18 | 120.0° | 120.1° |
| C17 | C18 | C19 | H18A | 116.8° | 120.1° |
| C18 | C17 | N16 | HN16 | 33.6° | 69.2° |
| C17 | C18 | C19 | H19 | 44.0° | 162.0° |
| C17 | C18 | H18 | H18A | 117.2° | 119.7° |
| O32 | C31 | N30 | C28 | 1.3° | 15.5° |
| O32 | C31 | C17 | H17 | 154.3° | 69.7° |
| O32 | C31 | N30 | HN30 | 178.7° | 164.5° |
| C31 | N30 | C28 | HN30 | 180.0° | 180.0° |
| C31 | N30 | C28 | C29 | 113.4° | 34.4° |
| C31 | N30 | C28 | C27 | 125.0° | 85.1° |
| N30 | C31 | C17 | H17 | 32.0° | 110.2° |
| C31 | N30 | C28 | H28 | 4.8° | 155.3° |
| N30 | C28 | C29 | C27 | 118.9° | 118.1° |
| N30 | C28 | C29 | H28 | 120.9° | 120.9° |
| N30 | C28 | C27 | H28 | 120.9° | 119.6° |
| N30 | C28 | C27 | C26 | 57.5° | 41.2° |
| N30 | C28 | C29 | H29 | 50.2° | 78.5° |
| N30 | C28 | C29 | H29A | 69.7° | 161.5° |
| N30 | C28 | C29 | H29B | 170.2° | 41.5° |
| N30 | C28 | C27 | H27 | 122.5° | 138.4° |
| C29 | C28 | C27 | H28 | 118.2° | 120.9° |
| C29 | C28 | C27 | C26 | 178.3° | 78.3° |
| C29 | C28 | N30 | HN30 | 66.5° | 145.6° |
| C28 | C29 | H29 | H29A | 120.0° | 120.0° |
| C28 | C29 | H29 | H29B | 120.0° | 120.0° |
| C28 | C29 | H29A | H29B | 120.0° | 120.0° |
| C29 | C28 | C27 | H27 | 1.7° | 102.2° |
| C28 | C27 | C26 | H27 | 180.0° | 179.6° |
| C28 | C27 | C26 | C24 | 128.4° | 178.8° |
| C27 | C28 | N30 | HN30 | 55.0° | 94.9° |
| C27 | C28 | C29 | H29 | 169.1° | 39.6° |
| C27 | C28 | C29 | H29A | 49.2° | 80.4° |
| C27 | C28 | C29 | H29B | 70.9° | 159.6° |
| C28 | C27 | C26 | H26 | 51.6° | 2.5° |
| C27 | C26 | C24 | H26 | 180.0° | 178.7° |
| C27 | C26 | C24 | O25 | 28.9° | 9.0° |
| C27 | C26 | C24 | N23 | 151.1° | 171.0° |
| C26 | C27 | C28 | H28 | 63.5° | 160.8° |
| C26 | C24 | O25 | N23 | 180.0° | 180.0° |
| C26 | C24 | N23 | C22 | 0.0° | 2.9° |
| C24 | C26 | C27 | H27 | 51.6° | 0.8° |
| C26 | C24 | N23 | HN23 | 180.0° | 177.1° |
| O25 | C24 | N23 | C22 | 180.0° | 177.1° |
| O25 | C24 | C26 | H26 | 151.1° | 169.6° |
| O25 | C24 | N23 | HN23 | 0.0° | 2.9° |
| C24 | N23 | C22 | HN23 | 180.0° | 180.0° |
| C24 | N23 | C22 | C21 | 108.2° | 60.3° |
| N23 | C24 | C26 | H26 | 28.9° | 10.3° |
| C24 | N23 | C22 | H22 | 11.8° | 179.8° |
| C24 | N23 | C22 | H22A | 132.0° | 59.6° |
| N23 | C22 | C21 | H22 | 120.0° | 119.9° |
| N23 | C22 | C21 | H22A | 119.8° | 119.9° |
| N23 | C22 | C21 | C19 | 53.9° | 179.4° |
| N23 | C22 | H22 | H22A | 119.8° | 120.1° |
| N23 | C22 | C21 | H21 | 173.9° | 59.3° |
| N23 | C22 | C21 | H21A | 63.7° | 60.4° |
| C22 | C21 | C19 | H21 | 120.0° | 120.2° |
| C22 | C21 | C19 | H21A | 117.6° | 120.1° |
| C22 | C21 | C19 | O20 | 144.7° | 166.5° |
| C22 | C21 | C19 | C18 | 97.0° | 73.2° |
| C21 | C22 | N23 | HN23 | 71.8° | 119.7° |
| C21 | C22 | H22 | H22A | 119.8° | 120.2° |
| C22 | C21 | H21 | H21A | 117.8° | 119.7° |
| C22 | C21 | C19 | H19 | 22.7° | 46.8° |
| C21 | C19 | O20 | C18 | 119.0° | 120.8° |
| C21 | C19 | O20 | H19 | 121.3° | 119.6° |
| C21 | C19 | C18 | H19 | 121.4° | 120.1° |
| C19 | C21 | C22 | H22 | 66.1° | 60.7° |
| C19 | C21 | C22 | H22A | 173.7° | 59.6° |
| C19 | C21 | H21 | H21A | 117.8° | 119.7° |
| C21 | C19 | O20 | HO20 | 111.5° | 60.0° |
| C21 | C19 | C18 | H18 | 74.6° | 42.3° |
| C21 | C19 | C18 | H18A | 48.6° | 162.0° |
| O20 | C19 | C18 | H19 | 122.1° | 119.6° |
| O20 | C19 | C21 | H21 | 95.3° | 73.3° |
| O20 | C19 | C21 | H21A | 27.1° | 46.3° |
| O20 | C19 | C18 | H18 | 41.9° | 162.5° |
| O20 | C19 | C18 | H18A | 165.1° | 77.7° |
| C19 | C18 | C17 | H17 | 33.3° | 133.6° |
| C18 | C19 | C21 | H21 | 23.0° | 46.9° |
| C18 | C19 | C21 | H21A | 145.3° | 166.6° |
| C18 | C19 | O20 | HO20 | 7.5° | 179.2° |
| C19 | C18 | H18 | H18A | 117.1° | 119.8° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 121.3° | 119.9° |
| C7 | C8 | C9 | C10 | 178.4° | 180.0° |
| C8 | C7 | C6 | H6 | 59.8° | 60.0° |
| C8 | C7 | C6 | H6A | 61.0° | 60.0° |
| C8 | C7 | H7 | H7A | 117.3° | 120.1° |
| C7 | C8 | H8 | H8A | 121.4° | 120.0° |
| C7 | C8 | C9 | H9 | 61.6° | 60.0° |
| C7 | C8 | C9 | H9A | 59.3° | 60.1° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 119.1° | 120.0° |
| C8 | C9 | C10 | C11 | 179.5° | 180.0° |
| C9 | C8 | C7 | H7 | 59.5° | 60.0° |
| C9 | C8 | C7 | H7A | 63.5° | 60.0° |
| C9 | C8 | H8 | H8A | 121.4° | 120.0° |
| C8 | C9 | H9 | H9A | 119.2° | 120.0° |
| C8 | C9 | C10 | H10 | 59.5° | 60.0° |
| C8 | C9 | C10 | H10A | 59.6° | 60.1° |
| C9 | C10 | C11 | H10 | 120.0° | 119.9° |
| C9 | C10 | C11 | H10A | 120.9° | 120.0° |
| C10 | C9 | C8 | H8 | 58.5° | 60.0° |
| C10 | C9 | C8 | H8A | 60.3° | 60.0° |
| C10 | C9 | H9 | H9A | 119.1° | 120.0° |
| C9 | C10 | H10 | H10A | 120.9° | 120.1° |
| C9 | C10 | C11 | H11 | 94.0° | 60.0° |
| C9 | C10 | C11 | H11A | 146.1° | 180.0° |
| C9 | C10 | C11 | H11B | 26.0° | 60.0° |
| C11 | C10 | C9 | H9 | 60.5° | 60.0° |
| C11 | C10 | C9 | H9A | 60.4° | 60.0° |
| C11 | C10 | H10 | H10A | 120.9° | 120.0° |
| C10 | C11 | H11 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 178.6° | 179.7° |
| H2 | C2 | C3 | H3 | 179.6° | 180.0° |
| H3 | C3 | C4 | H4 | 177.9° | 180.0° |
| H4 | C4 | C5 | H5 | 103.7° | 65.0° |
| H4 | C4 | C5 | H5A | 133.0° | 175.0° |
| H5 | C5 | C6 | H6 | 114.1° | 180.0° |
| H5 | C5 | C6 | H6A | 125.2° | 60.0° |
| H5A | C5 | C6 | H6 | 9.2° | 60.0° |
| H5A | C5 | C6 | H6A | 111.5° | NaN° |
| H6 | C6 | C7 | H7 | 179.8° | 180.0° |
| H6 | C6 | C7 | H7A | 57.2° | 60.1° |
| H6A | C6 | C7 | H7 | 59.1° | 60.0° |
| H6A | C6 | C7 | H7A | 178.0° | 179.9° |
| HN13 | N13 | C14 | H14 | 122.6° | 145.0° |
| H14 | C14 | C34 | H34 | 52.5° | 59.3° |
| H34 | C34 | C36 | H36 | 45.3° | 173.0° |
| H34 | C34 | C36 | H36A | 74.7° | 53.0° |
| H34 | C34 | C36 | H36B | 165.3° | 66.9° |
| H34 | C34 | O35 | HO35 | 131.2° | 60.0° |
| H36 | C36 | H36A | H36B | 120.0° | 120.0° |
| HN16 | N16 | C17 | H17 | 154.5° | 170.4° |
| H17 | C17 | C18 | H18 | 86.7° | 106.2° |
| H17 | C17 | C18 | H18A | 150.1° | 13.5° |
| HN30 | N30 | C28 | H28 | 175.2° | 24.7° |
| H28 | C28 | C29 | H29 | 70.7° | 160.6° |
| H28 | C28 | C29 | H29A | 169.3° | 40.6° |
| H28 | C28 | C29 | H29B | 49.3° | 79.4° |
| H28 | C28 | C27 | H27 | 116.5° | 18.8° |
| H29 | C29 | H29A | H29B | 120.0° | 120.0° |
| H27 | C27 | C26 | H26 | 128.4° | 177.9° |
| HN23 | N23 | C22 | H22 | 168.2° | 0.2° |
| HN23 | N23 | C22 | H22A | 48.0° | 120.5° |
| H22 | C22 | C21 | H21 | 53.9° | 179.2° |
| H22 | C22 | C21 | H21A | 176.3° | 59.5° |
| H22A | C22 | C21 | H21 | 66.3° | 60.6° |
| H22A | C22 | C21 | H21A | 56.1° | 179.7° |
| H21 | C21 | C19 | H19 | 142.7° | 167.0° |
| H21A | C21 | C19 | H19 | 94.9° | 73.3° |
| H19 | C19 | O20 | HO20 | 127.2° | 59.6° |
| H19 | C19 | C18 | H18 | 164.0° | 77.8° |
| H19 | C19 | C18 | H18A | 72.8° | 41.9° |
| H7 | C7 | C8 | H8 | 179.5° | NaN° |
| H7 | C7 | C8 | H8A | 61.8° | 60.0° |
| H7A | C7 | C8 | H8 | 56.5° | 60.0° |
| H7A | C7 | C8 | H8A | 175.2° | 180.0° |
| H8 | C8 | C9 | H9 | 178.4° | 180.0° |
| H8 | C8 | C9 | H9A | 60.6° | 60.0° |
| H8A | C8 | C9 | H9 | 59.7° | 60.0° |
| H8A | C8 | C9 | H9A | 179.4° | 180.0° |
| H9 | C9 | C10 | H10 | 179.5° | 180.0° |
| H9 | C9 | C10 | H10A | 60.4° | 59.9° |
| H9A | C9 | C10 | H10 | 59.6° | 59.9° |
| H9A | C9 | C10 | H10A | 178.7° | 180.0° |
| H10 | C10 | C11 | H11 | 26.0° | 60.0° |
| H10 | C10 | C11 | H11A | 93.9° | 60.1° |
| H10 | C10 | C11 | H11B | 146.0° | 180.0° |
| H10A | C10 | C11 | H11 | 145.2° | 180.0° |
| H10A | C10 | C11 | H11A | 25.2° | 60.0° |
| H10A | C10 | C11 | H11B | 94.9° | 60.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
