R78
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C5 | sing | 1.47Å | 1.48Å | |
| N3 | C8 | sing | 1.47Å | 1.48Å | |
| N3 | C2 | sing | 1.38Å | 1.40Å | |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.48Å | |
| C5 | C9 | sing | 1.53Å | 1.56Å | |
| C6 | O1 | doub | 1.21Å | 1.26Å | |
| C6 | N4 | sing | 1.35Å | 1.34Å | |
| C7 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | N5 | sing | 1.39Å | 1.37Å | |
| C8 | C15 | sing | 1.54Å | 1.52Å | |
| C8 | C12 | sing | 1.55Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C13 | C12 | sing | 1.55Å | 1.52Å | |
| C15 | C14 | sing | 1.54Å | 1.52Å | |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | O2 | doub | 1.22Å | 1.23Å | |
| C21 | N6 | sing | 1.35Å | 1.32Å | |
| C21 | C18 | sing | 1.48Å | 1.51Å | |
| C22 | N6 | sing | 1.47Å | 1.46Å | |
| C22 | C29 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | N7 | sing | 1.47Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | N7 | sing | 1.47Å | 1.48Å | |
| N7 | C30 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.38Å | |
| O3 | C31 | sing | 1.43Å | 1.44Å | |
| N5 | C1 | sing | 1.39Å | 1.34Å | |
| C1 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C2 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| N4 | C11 | sing | 1.46Å | 1.48Å | |
| N4 | C3 | sing | 1.40Å | 1.43Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | 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) |
| C4 | N1 | C1 | 122.0° | 121.0° |
| N1 | C4 | C3 | 118.9° | 118.8° |
| N1 | C4 | H4 | 120.5° | 120.6° |
| N1 | C1 | N5 | 116.7° | 119.0° |
| N1 | C1 | N2 | 120.4° | 122.0° |
| C5 | N3 | C8 | 123.8° | 111.0° |
| C5 | N3 | C2 | 120.6° | 112.1° |
| N3 | C5 | C6 | 115.7° | 110.2° |
| N3 | C5 | C9 | 104.7° | 109.4° |
| N3 | C5 | H5 | 106.4° | 109.3° |
| C8 | N3 | C2 | 115.6° | 111.0° |
| N3 | C8 | C15 | 120.4° | 110.5° |
| N3 | C8 | C12 | 111.2° | 110.5° |
| N3 | C8 | H8 | 99.6° | 110.4° |
| N3 | C2 | N2 | 119.4° | 120.9° |
| N3 | C2 | C3 | 119.6° | 120.3° |
| C4 | C3 | C2 | 118.3° | 119.0° |
| C4 | C3 | N4 | 120.2° | 121.3° |
| C3 | C4 | H4 | 120.5° | 120.6° |
| C6 | C5 | C9 | 101.5° | 109.4° |
| C5 | C6 | O1 | 117.2° | 120.3° |
| C5 | C6 | N4 | 121.3° | 119.4° |
| C6 | C5 | H5 | 109.4° | 109.3° |
| C5 | C9 | C10 | 117.9° | 109.5° |
| C9 | C5 | H5 | 119.6° | 109.2° |
| C5 | C9 | H9 | 106.8° | 109.5° |
| C5 | C9 | H9A | 104.8° | 109.4° |
| O1 | C6 | N4 | 121.5° | 120.3° |
| C6 | N4 | C11 | 122.3° | 120.9° |
| C6 | N4 | C3 | 120.8° | 118.2° |
| C20 | C7 | C16 | 121.2° | 120.1° |
| C20 | C7 | N5 | 124.7° | 120.0° |
| C7 | C20 | C19 | 119.8° | 120.1° |
| C7 | C20 | H20 | 120.1° | 119.9° |
| C16 | C7 | N5 | 114.2° | 120.0° |
| C7 | C16 | C17 | 119.2° | 120.0° |
| C7 | C16 | O3 | 118.7° | 120.0° |
| C7 | N5 | C1 | 128.5° | 120.0° |
| C7 | N5 | HN5 | 115.8° | 120.1° |
| C15 | C8 | C12 | 108.5° | 104.2° |
| C8 | C15 | C14 | 103.1° | 106.6° |
| C15 | C8 | H8 | 102.8° | 110.5° |
| C8 | C15 | H15 | 111.7° | 110.0° |
| C8 | C15 | H15A | 113.0° | 110.1° |
| C8 | C12 | C13 | 105.0° | 102.8° |
| C12 | C8 | H8 | 113.8° | 110.6° |
| C8 | C12 | H12 | 111.0° | 110.7° |
| C8 | C12 | H12A | 111.9° | 110.8° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C10 | C9 | H9 | 106.8° | 109.5° |
| C10 | C9 | H9A | 104.8° | 109.5° |
| C14 | C13 | C12 | 106.0° | 104.2° |
| C13 | C14 | C15 | 110.3° | 106.6° |
| C14 | C13 | H13 | 110.7° | 110.5° |
| C14 | C13 | H13A | 111.4° | 110.5° |
| C13 | C14 | H14 | 109.2° | 110.1° |
| C13 | C14 | H14A | 109.0° | 110.0° |
| C12 | C13 | H13 | 110.6° | 110.5° |
| C12 | C13 | H13A | 111.4° | 110.4° |
| C13 | C12 | H12 | 111.0° | 110.8° |
| C13 | C12 | H12A | 111.9° | 110.7° |
| C14 | C15 | H15 | 111.6° | 110.0° |
| C14 | C15 | H15A | 113.0° | 110.1° |
| C15 | C14 | H14 | 109.2° | 110.0° |
| C15 | C14 | H14A | 109.0° | 110.0° |
| C18 | C17 | C16 | 120.4° | 119.9° |
| C17 | C18 | C21 | 115.6° | 120.0° |
| C17 | C18 | C19 | 121.3° | 119.9° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C16 | O3 | 122.1° | 120.0° |
| C16 | C17 | H17 | 119.8° | 120.1° |
| C20 | C19 | C18 | 118.1° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C20 | C19 | H19 | 120.9° | 120.0° |
| O2 | C21 | N6 | 122.4° | 120.0° |
| O2 | C21 | C18 | 118.1° | 120.0° |
| N6 | C21 | C18 | 119.5° | 120.0° |
| C21 | N6 | C22 | 119.1° | 120.0° |
| C21 | N6 | HN6 | 120.4° | 120.0° |
| C21 | C18 | C19 | 123.1° | 120.1° |
| N6 | C22 | C29 | 105.5° | 109.5° |
| N6 | C22 | C23 | 105.1° | 109.5° |
| N6 | C22 | H22 | 114.7° | 109.5° |
| C22 | N6 | HN6 | 120.5° | 120.0° |
| C29 | C22 | C23 | 109.5° | 109.2° |
| C22 | C29 | C28 | 113.1° | 109.3° |
| C29 | C22 | H22 | 110.7° | 109.6° |
| C22 | C29 | H29 | 108.3° | 109.5° |
| C22 | C29 | H29A | 107.5° | 109.5° |
| C22 | C23 | C24 | 108.8° | 109.3° |
| C23 | C22 | H22 | 111.1° | 109.5° |
| C22 | C23 | H23 | 109.7° | 109.6° |
| C22 | C23 | H23A | 109.9° | 109.5° |
| N7 | C24 | C23 | 108.8° | 109.5° |
| C24 | N7 | C28 | 110.4° | 111.2° |
| C24 | N7 | C30 | 106.4° | 111.0° |
| N7 | C24 | H24 | 109.7° | 109.4° |
| N7 | C24 | H24A | 109.8° | 109.4° |
| C23 | C24 | H24 | 109.7° | 109.5° |
| C23 | C24 | H24A | 109.9° | 109.4° |
| C24 | C23 | H23 | 109.7° | 109.5° |
| C24 | C23 | H23A | 109.8° | 109.5° |
| C29 | C28 | N7 | 112.6° | 109.5° |
| C29 | C28 | H28 | 108.4° | 109.4° |
| C29 | C28 | H28A | 107.7° | 109.4° |
| C28 | C29 | H29 | 108.3° | 109.5° |
| C28 | C29 | H29A | 107.5° | 109.5° |
| C28 | N7 | C30 | 109.7° | 111.0° |
| N7 | C28 | H28 | 108.4° | 109.5° |
| N7 | C28 | H28A | 107.7° | 109.5° |
| N7 | C30 | H30 | 109.5° | 109.4° |
| N7 | C30 | H30A | 109.4° | 109.5° |
| N7 | C30 | H30B | 109.5° | 109.4° |
| C18 | C19 | H19 | 121.0° | 120.0° |
| C16 | O3 | C31 | 124.5° | 117.0° |
| O3 | C31 | H31 | 109.5° | 109.5° |
| O3 | C31 | H31A | 109.5° | 109.5° |
| O3 | C31 | H31B | 109.5° | 109.5° |
| N5 | C1 | N2 | 122.9° | 119.0° |
| C1 | N5 | HN5 | 115.7° | 119.9° |
| C1 | N2 | C2 | 119.4° | 120.5° |
| N2 | C2 | C3 | 120.9° | 118.8° |
| C2 | C3 | N4 | 121.5° | 119.7° |
| C11 | N4 | C3 | 116.9° | 120.9° |
| N4 | C11 | H11 | 109.5° | 109.4° |
| N4 | C11 | H11A | 109.5° | 109.5° |
| N4 | C11 | H11B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H13 | C13 | H13A | 106.8° | 110.6° |
| H15 | C15 | H15A | 104.7° | 110.1° |
| H24 | C24 | H24A | 109.0° | 109.5° |
| H28 | C28 | H28A | 112.0° | 109.5° |
| H29 | C29 | H29A | 112.3° | 109.5° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.4° |
| H23 | C23 | H23A | 108.9° | 109.5° |
| H31 | C31 | H31A | 109.5° | 109.4° |
| H31 | C31 | H31B | 109.5° | 109.4° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H14 | C14 | H14A | 110.1° | 110.1° |
| H12 | C12 | H12A | 106.1° | 110.8° |
| H9 | C9 | H9A | 116.3° | 109.5° |
| H11 | C11 | H11A | 109.4° | 109.4° |
| H11 | C11 | H11B | 109.4° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | N1 | C1 | N5 | 179.9° | 180.0° |
| C4 | N1 | C1 | N2 | 2.5° | 0.1° |
| N1 | C4 | C3 | C2 | 1.3° | 0.1° |
| N1 | C4 | C3 | N4 | 177.0° | 179.6° |
| C1 | N1 | C4 | C3 | 3.0° | 0.0° |
| N1 | C1 | N5 | C7 | 179.7° | 5.7° |
| N1 | C1 | N5 | N2 | 177.3° | 180.0° |
| N1 | C1 | N2 | C2 | 0.3° | 0.1° |
| C1 | N1 | C4 | H4 | 177.0° | 180.0° |
| N1 | C1 | N5 | HN5 | 0.3° | 174.2° |
| C5 | N3 | C8 | C2 | 179.0° | 125.4° |
| N3 | C5 | C6 | C9 | 112.7° | 120.3° |
| N3 | C5 | C6 | H5 | 120.1° | 120.2° |
| N3 | C5 | C9 | H5 | 119.0° | 119.6° |
| N3 | C5 | C6 | O1 | 175.0° | 145.0° |
| N3 | C5 | C6 | N4 | 7.0° | 35.0° |
| C5 | N3 | C8 | C15 | 98.2° | 166.7° |
| C5 | N3 | C8 | C12 | 30.4° | 78.6° |
| N3 | C5 | C9 | C10 | 56.9° | 53.3° |
| C5 | N3 | C2 | N2 | 176.0° | 144.6° |
| C5 | N3 | C2 | C3 | 2.0° | 35.5° |
| C5 | N3 | C8 | H8 | 150.7° | 44.2° |
| N3 | C5 | C9 | H9 | 63.1° | 66.7° |
| N3 | C5 | C9 | H9A | 173.0° | 173.3° |
| C8 | N3 | C5 | C6 | 174.3° | 175.3° |
| C8 | N3 | C5 | C9 | 74.9° | 64.5° |
| N3 | C8 | C15 | C12 | 129.7° | 118.7° |
| N3 | C8 | C15 | H8 | 109.4° | 122.5° |
| N3 | C8 | C12 | H8 | 111.5° | 122.6° |
| N3 | C8 | C12 | C13 | 162.1° | 156.6° |
| N3 | C8 | C15 | C14 | 153.9° | 142.3° |
| C8 | N3 | C2 | N2 | 3.1° | 19.8° |
| C8 | N3 | C2 | C3 | 179.0° | 160.3° |
| C8 | N3 | C5 | H5 | 52.7° | 55.1° |
| N3 | C8 | C15 | H15 | 34.0° | 23.1° |
| N3 | C8 | C15 | H15A | 83.8° | 98.4° |
| N3 | C8 | C12 | H12 | 77.9° | 85.0° |
| N3 | C8 | C12 | H12A | 40.4° | 38.3° |
| N3 | C2 | C3 | C4 | 178.7° | 179.8° |
| C2 | N3 | C5 | C6 | 6.7° | 50.5° |
| C2 | N3 | C5 | C9 | 104.0° | 170.8° |
| C2 | N3 | C8 | C15 | 80.8° | 41.2° |
| C2 | N3 | C8 | C12 | 150.7° | 156.0° |
| N3 | C2 | N2 | C1 | 179.2° | 179.9° |
| N3 | C2 | N2 | C3 | 177.9° | 179.9° |
| N3 | C2 | C3 | N4 | 3.0° | 0.4° |
| C2 | N3 | C5 | H5 | 128.4° | 69.7° |
| C2 | N3 | C8 | H8 | 30.3° | 81.2° |
| C4 | C3 | N4 | C6 | 178.9° | 162.2° |
| C4 | C3 | C2 | N2 | 0.8° | 0.1° |
| C4 | C3 | C2 | N4 | 178.3° | 179.8° |
| C4 | C3 | N4 | C11 | 1.2° | 17.7° |
| C6 | C5 | C9 | H5 | 120.3° | 119.6° |
| C5 | C6 | O1 | N4 | 178.0° | 180.0° |
| C6 | C5 | C9 | C10 | 63.8° | 67.5° |
| C5 | C6 | N4 | C11 | 177.6° | 178.7° |
| C5 | C6 | N4 | C3 | 2.4° | 1.3° |
| C6 | C5 | C9 | H9 | 176.2° | 172.5° |
| C6 | C5 | C9 | H9A | 52.2° | 52.5° |
| C9 | C5 | C6 | O1 | 72.3° | 24.7° |
| C9 | C5 | C6 | N4 | 105.7° | 155.2° |
| C5 | C9 | C10 | H9 | 120.0° | 120.0° |
| C5 | C9 | C10 | H9A | 116.0° | 120.0° |
| C5 | C9 | C10 | H10 | 171.8° | 69.0° |
| C5 | C9 | C10 | H10A | 51.8° | 51.0° |
| C5 | C9 | C10 | H10B | 68.2° | 171.0° |
| C5 | C9 | H9 | H9A | 116.5° | 120.0° |
| O1 | C6 | N4 | C11 | 0.3° | 1.4° |
| O1 | C6 | N4 | C3 | 179.7° | 178.7° |
| O1 | C6 | C5 | H5 | 55.0° | 94.8° |
| C6 | N4 | C3 | C2 | 2.8° | 17.6° |
| C6 | N4 | C11 | C3 | 180.0° | 179.9° |
| N4 | C6 | C5 | H5 | 127.0° | 85.2° |
| C6 | N4 | C11 | H11 | 30.0° | 0.0° |
| C6 | N4 | C11 | H11A | 90.0° | 119.9° |
| C6 | N4 | C11 | H11B | 150.0° | 120.0° |
| C20 | C7 | C16 | N5 | 179.3° | 179.9° |
| C20 | C7 | C16 | C17 | 0.2° | 0.1° |
| C7 | C20 | C19 | H20 | 180.0° | 179.9° |
| C7 | C20 | C19 | C18 | 2.2° | 0.1° |
| C20 | C7 | C16 | O3 | 179.9° | 180.0° |
| C20 | C7 | N5 | C1 | 16.1° | 32.6° |
| C7 | C20 | C19 | H19 | 177.8° | 180.0° |
| C20 | C7 | N5 | HN5 | 163.9° | 147.5° |
| C7 | C16 | C17 | C18 | 1.0° | 0.1° |
| C7 | C16 | C17 | O3 | 179.8° | 179.9° |
| C16 | C7 | C20 | C19 | 1.8° | 0.1° |
| C7 | C16 | O3 | C31 | 170.1° | 179.9° |
| C16 | C7 | N5 | C1 | 164.6° | 147.2° |
| C7 | C16 | C17 | H17 | 179.0° | 180.0° |
| C16 | C7 | C20 | H20 | 178.2° | 180.0° |
| C16 | C7 | N5 | HN5 | 15.4° | 32.7° |
| N5 | C7 | C16 | C17 | 179.5° | 179.7° |
| N5 | C7 | C20 | C19 | 179.0° | 179.7° |
| N5 | C7 | C16 | O3 | 0.7° | 0.1° |
| C7 | N5 | C1 | HN5 | 180.0° | 179.9° |
| C7 | N5 | C1 | N2 | 2.4° | 174.2° |
| N5 | C7 | C20 | H20 | 1.0° | 0.2° |
| C15 | C8 | C12 | H8 | 113.8° | 118.7° |
| C8 | C15 | C14 | C13 | 12.0° | 0.0° |
| C15 | C8 | C12 | C13 | 27.4° | 37.9° |
| C8 | C15 | C14 | H15 | 120.0° | 119.2° |
| C8 | C15 | C14 | H15A | 122.3° | 119.3° |
| C8 | C15 | H15 | H15A | 122.6° | 121.5° |
| C8 | C15 | C14 | H14 | 108.0° | 119.3° |
| C8 | C15 | C14 | H14A | 131.7° | 119.2° |
| C15 | C8 | C12 | H12 | 147.4° | 156.3° |
| C15 | C8 | C12 | H12A | 94.2° | 80.4° |
| C8 | C12 | C13 | C14 | 18.9° | 37.9° |
| C8 | C12 | C13 | H12 | 120.0° | 118.3° |
| C8 | C12 | C13 | H12A | 121.7° | 118.3° |
| C12 | C8 | C15 | C14 | 24.2° | 23.6° |
| C8 | C12 | C13 | H13 | 139.0° | 156.6° |
| C8 | C12 | C13 | H13A | 102.4° | 80.7° |
| C12 | C8 | C15 | H15 | 95.7° | 95.6° |
| C12 | C8 | C15 | H15A | 146.5° | 142.9° |
| C8 | C12 | H12 | H12A | 121.8° | 123.3° |
| C10 | C9 | C5 | H5 | 175.9° | 172.9° |
| C9 | C10 | H10 | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10B | 120.0° | 120.0° |
| C9 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C9 | H9 | H9A | 116.6° | 120.0° |
| C14 | C13 | C12 | H13 | 120.0° | 118.7° |
| C14 | C13 | C12 | H13A | 121.3° | 118.6° |
| C13 | C14 | C15 | H14 | 120.0° | 119.3° |
| C13 | C14 | C15 | H14A | 119.7° | 119.3° |
| C14 | C13 | H13 | H13A | 121.4° | 122.6° |
| C13 | C14 | C15 | H15 | 108.0° | 119.2° |
| C13 | C14 | C15 | H15A | 134.3° | 119.3° |
| C13 | C14 | H14 | H14A | 119.7° | 121.4° |
| C14 | C13 | C12 | H12 | 138.9° | 156.3° |
| C14 | C13 | C12 | H12A | 102.7° | 80.4° |
| C12 | C13 | C14 | C15 | 4.3° | 23.6° |
| C13 | C12 | C8 | H8 | 86.4° | 80.8° |
| C12 | C13 | H13 | H13A | 121.4° | 122.6° |
| C12 | C13 | C14 | H14 | 124.2° | 142.9° |
| C12 | C13 | C14 | H14A | 115.4° | 95.6° |
| C13 | C12 | H12 | H12A | 121.8° | 123.3° |
| C14 | C15 | C8 | H8 | 96.7° | 95.2° |
| C15 | C14 | C13 | H13 | 124.3° | 142.3° |
| C15 | C14 | C13 | H13A | 117.0° | 95.0° |
| C14 | C15 | H15 | H15A | 122.6° | 121.4° |
| C15 | C14 | H14 | H14A | 119.7° | 121.4° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.0° | 0.0° |
| C17 | C18 | C21 | O2 | 26.0° | 0.0° |
| C17 | C18 | C21 | N6 | 150.9° | 180.0° |
| C17 | C18 | C21 | C19 | 178.7° | 180.0° |
| C18 | C17 | C16 | O3 | 178.7° | 179.9° |
| C17 | C18 | C19 | H19 | 179.0° | 179.9° |
| C16 | C17 | C18 | C21 | 178.1° | 180.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.0° |
| C17 | C16 | O3 | C31 | 9.6° | 0.1° |
| C20 | C19 | C18 | C21 | 179.6° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| O2 | C21 | N6 | C18 | 176.7° | 180.0° |
| O2 | C21 | N6 | C22 | 1.7° | 0.0° |
| O2 | C21 | C18 | C19 | 155.3° | 180.0° |
| O2 | C21 | N6 | HN6 | 178.3° | 180.0° |
| C21 | N6 | C22 | HN6 | 180.0° | 180.0° |
| C21 | N6 | C22 | C29 | 119.0° | 155.0° |
| C21 | N6 | C22 | C23 | 125.4° | 85.3° |
| N6 | C21 | C18 | C19 | 27.8° | 0.0° |
| C21 | N6 | C22 | H22 | 3.1° | 34.8° |
| C18 | C21 | N6 | C22 | 178.4° | 180.0° |
| C21 | C18 | C17 | H17 | 1.9° | 0.0° |
| C18 | C21 | N6 | HN6 | 1.6° | 0.0° |
| C21 | C18 | C19 | H19 | 0.4° | 0.1° |
| N6 | C22 | C29 | C23 | 112.6° | 119.9° |
| N6 | C22 | C29 | H22 | 124.6° | 120.2° |
| N6 | C22 | C23 | H22 | 124.6° | 120.1° |
| N6 | C22 | C23 | C24 | 171.3° | 177.6° |
| N6 | C22 | C29 | C28 | 162.6° | 177.6° |
| N6 | C22 | C29 | H29 | 42.6° | 57.6° |
| N6 | C22 | C29 | H29A | 79.0° | 62.5° |
| N6 | C22 | C23 | H23 | 68.7° | 62.4° |
| N6 | C22 | C23 | H23A | 51.0° | 57.6° |
| C29 | C22 | C23 | H22 | 122.5° | 120.0° |
| C29 | C22 | C23 | C24 | 58.4° | 57.6° |
| C22 | C29 | C28 | H29 | 120.0° | 120.0° |
| C22 | C29 | C28 | H29A | 118.4° | 119.9° |
| C22 | C29 | C28 | N7 | 48.0° | 59.2° |
| C22 | C29 | C28 | H28 | 168.0° | 179.2° |
| C22 | C29 | C28 | H28A | 70.6° | 60.8° |
| C29 | C22 | N6 | HN6 | 61.0° | 25.0° |
| C22 | C29 | H29 | H29A | 118.5° | 120.1° |
| C29 | C22 | C23 | H23 | 178.4° | 177.6° |
| C29 | C22 | C23 | H23A | 61.9° | 62.3° |
| C22 | C23 | C24 | N7 | 65.9° | 59.1° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 120.3° | 119.9° |
| C23 | C22 | C29 | C28 | 49.9° | 57.7° |
| C22 | C23 | C24 | H24 | 174.1° | 179.2° |
| C22 | C23 | C24 | H24A | 54.3° | 60.8° |
| C23 | C22 | N6 | HN6 | 54.6° | 94.7° |
| C23 | C22 | C29 | H29 | 70.0° | 62.3° |
| C23 | C22 | C29 | H29A | 168.4° | 177.6° |
| C22 | C23 | H23 | H23A | 120.3° | 120.1° |
| N7 | C24 | C23 | H24 | 120.0° | 120.0° |
| N7 | C24 | C23 | H24A | 120.3° | 120.0° |
| C24 | N7 | C28 | C29 | 54.2° | 61.8° |
| C24 | N7 | C28 | C30 | 117.0° | 124.1° |
| N7 | C24 | H24 | H24A | 120.3° | 119.9° |
| C24 | N7 | C28 | H28 | 174.2° | 178.3° |
| C24 | N7 | C28 | H28A | 64.4° | 58.2° |
| C24 | N7 | C30 | H30 | 41.3° | 60.0° |
| C24 | N7 | C30 | H30A | 78.7° | 180.0° |
| C24 | N7 | C30 | H30B | 161.3° | 60.0° |
| N7 | C24 | C23 | H23 | 174.1° | 179.2° |
| N7 | C24 | C23 | H23A | 54.4° | 60.8° |
| C23 | C24 | N7 | C28 | 63.2° | 61.7° |
| C23 | C24 | N7 | C30 | 177.7° | 174.2° |
| C24 | C23 | C22 | H22 | 64.1° | 62.3° |
| C23 | C24 | H24 | H24A | 120.3° | 120.0° |
| C24 | C23 | H23 | H23A | 120.3° | 120.1° |
| C29 | C28 | N7 | H28 | 120.0° | 120.0° |
| C29 | C28 | N7 | H28A | 118.6° | 120.0° |
| C29 | C28 | N7 | C30 | 171.3° | 174.1° |
| C28 | C29 | C22 | H22 | 72.8° | 62.3° |
| C29 | C28 | H28 | H28A | 118.7° | 120.0° |
| C28 | C29 | H29 | H29A | 118.5° | 120.1° |
| C28 | N7 | C24 | H24 | 176.8° | 178.2° |
| C28 | N7 | C24 | H24A | 57.0° | 58.3° |
| N7 | C28 | H28 | H28A | 118.7° | 120.0° |
| N7 | C28 | C29 | H29 | 72.0° | 60.8° |
| N7 | C28 | C29 | H29A | 166.4° | 179.1° |
| C28 | N7 | C30 | H30 | 78.3° | 175.8° |
| C28 | N7 | C30 | H30A | 161.7° | 55.8° |
| C28 | N7 | C30 | H30B | 41.7° | 64.2° |
| C30 | N7 | C24 | H24 | 57.7° | 54.1° |
| C30 | N7 | C24 | H24A | 62.0° | 65.8° |
| C30 | N7 | C28 | H28 | 68.8° | 54.2° |
| C30 | N7 | C28 | H28A | 52.6° | 65.9° |
| N7 | C30 | H30 | H30A | 120.0° | 120.0° |
| N7 | C30 | H30 | H30B | 120.0° | 119.9° |
| N7 | C30 | H30A | H30B | 120.0° | 120.0° |
| C19 | C18 | C17 | H17 | 179.4° | 180.0° |
| C18 | C19 | C20 | H20 | 177.8° | 180.0° |
| O3 | C16 | C17 | H17 | 1.3° | 0.1° |
| C16 | O3 | C31 | H31 | 81.1° | 60.0° |
| C16 | O3 | C31 | H31A | 158.9° | 60.0° |
| C16 | O3 | C31 | H31B | 38.9° | 179.9° |
| O3 | C31 | H31 | H31A | 120.0° | 120.0° |
| O3 | C31 | H31 | H31B | 120.0° | 120.0° |
| O3 | C31 | H31A | H31B | 120.0° | 120.0° |
| N5 | C1 | N2 | C2 | 177.5° | 180.0° |
| C1 | N2 | C2 | C3 | 1.3° | 0.0° |
| N2 | C1 | N5 | HN5 | 177.6° | 5.9° |
| N2 | C2 | C3 | N4 | 179.1° | 179.6° |
| C2 | C3 | N4 | C11 | 177.1° | 162.5° |
| C2 | C3 | C4 | H4 | 178.7° | 179.9° |
| N4 | C11 | H11 | H11A | 120.0° | 120.0° |
| N4 | C11 | H11 | H11B | 120.0° | 120.0° |
| N4 | C11 | H11A | H11B | 120.0° | 120.1° |
| N4 | C3 | C4 | H4 | 3.0° | 0.3° |
| C3 | N4 | C11 | H11 | 150.0° | 180.0° |
| C3 | N4 | C11 | H11A | 90.0° | 60.0° |
| C3 | N4 | C11 | H11B | 30.1° | 60.1° |
| H5 | C5 | C9 | H9 | 55.9° | 52.9° |
| H5 | C5 | C9 | H9A | 68.0° | 67.1° |
| H8 | C8 | C15 | H15 | 143.4° | 145.5° |
| H8 | C8 | C15 | H15A | 25.6° | 24.1° |
| H8 | C8 | C12 | H12 | 33.6° | 37.6° |
| H8 | C8 | C12 | H12A | 151.9° | 160.9° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| H10 | C10 | C9 | H9 | 68.2° | 171.0° |
| H10 | C10 | C9 | H9A | 55.8° | 51.0° |
| H10A | C10 | C9 | H9 | 171.8° | 69.0° |
| H10A | C10 | C9 | H9A | 64.2° | 170.9° |
| H10B | C10 | C9 | H9 | 51.8° | 51.0° |
| H10B | C10 | C9 | H9A | 175.8° | 69.0° |
| H13 | C13 | C14 | H14 | 115.8° | 98.4° |
| H13 | C13 | C14 | H14A | 4.6° | 23.1° |
| H13 | C13 | C12 | H12 | 101.1° | 85.0° |
| H13 | C13 | C12 | H12A | 17.3° | 38.3° |
| H13A | C13 | C14 | H14 | 2.9° | 24.2° |
| H13A | C13 | C14 | H14A | 123.3° | 145.7° |
| H13A | C13 | C12 | H12 | 17.6° | 37.6° |
| H13A | C13 | C12 | H12A | 136.0° | 161.0° |
| H15 | C15 | C14 | H14 | 132.0° | 121.5° |
| H15 | C15 | C14 | H14A | 11.7° | 0.0° |
| H15A | C15 | C14 | H14 | 14.3° | 0.0° |
| H15A | C15 | C14 | H14A | 106.0° | 121.4° |
| H20 | C20 | C19 | H19 | 2.2° | 0.1° |
| H22 | C22 | N6 | HN6 | 176.9° | 145.2° |
| H22 | C22 | C29 | H29 | 167.2° | 177.8° |
| H22 | C22 | C29 | H29A | 45.6° | 57.7° |
| H22 | C22 | C23 | H23 | 55.9° | 57.7° |
| H22 | C22 | C23 | H23A | 175.6° | 177.7° |
| H24 | C24 | C23 | H23 | 54.1° | 60.8° |
| H24 | C24 | C23 | H23A | 65.6° | 59.3° |
| H24A | C24 | C23 | H23 | 65.7° | 59.2° |
| H24A | C24 | C23 | H23A | 174.6° | 179.2° |
| H28 | C28 | C29 | H29 | 48.0° | 59.2° |
| H28 | C28 | C29 | H29A | 73.6° | 60.9° |
| H28A | C28 | C29 | H29 | 169.4° | 179.2° |
| H28A | C28 | C29 | H29A | 47.8° | 59.1° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H31 | C31 | H31A | H31B | 120.0° | 119.9° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
