O9E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | N5 | sing | 1.46Å | 1.47Å | |
| N5 | N6 | sing | 1.29Å | 1.34Å | Aromatic |
| N5 | C20 | sing | 1.35Å | 1.34Å | Aromatic |
| N6 | N7 | doub | 1.29Å | 1.31Å | Aromatic |
| C20 | C19 | doub | 1.35Å | 1.36Å | Aromatic |
| N7 | C19 | sing | 1.34Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | N4 | sing | 1.47Å | 1.46Å | |
| O1 | C17 | doub | 1.22Å | 1.23Å | |
| N4 | C17 | sing | 1.35Å | 1.44Å | |
| N4 | C23 | sing | 1.46Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.46Å | |
| C17 | C16 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C16 | S | sing | 1.76Å | 1.73Å | Aromatic |
| C16 | C24 | doub | 1.36Å | 1.36Å | Aromatic |
| S | C14 | sing | 1.71Å | 1.73Å | Aromatic |
| C7 | N | sing | 1.46Å | 1.46Å | |
| C24 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.35Å | 1.34Å | Aromatic |
| N1 | N2 | sing | 1.29Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.31Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C2 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.48Å | 1.47Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | C | sing | 1.35Å | 1.42Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | C8 | sing | 1.47Å | 1.48Å | |
| C12 | C25 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.34Å | 1.35Å | |
| C25 | C26 | sing | 1.55Å | 1.52Å | |
| C9 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C8 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.47Å | |
| C11 | C27 | sing | 1.51Å | 1.51Å | |
| C10 | C28 | doub | 1.36Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.54Å | 1.53Å | |
| S1 | C28 | sing | 1.71Å | 1.74Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C23 | H1 | sing | 1.09Å | 1.10Å | |
| C23 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H33 | sing | 1.09Å | 1.10Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C6 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | N5 | 113.7° | 109.5° |
| C22 | C21 | H6 | 108.4° | 109.5° |
| C22 | C21 | H7 | 108.4° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C21 | C22 | H9 | 109.5° | 109.5° |
| C21 | C22 | H10 | 109.5° | 109.5° |
| C21 | N5 | N6 | 123.1° | 125.9° |
| C21 | N5 | C20 | 126.0° | 125.9° |
| N5 | C21 | H6 | 108.4° | 109.4° |
| N5 | C21 | H7 | 108.4° | 109.5° |
| N6 | N5 | C20 | 110.9° | 108.2° |
| N5 | N6 | N7 | 106.9° | 110.2° |
| N5 | C20 | C19 | 105.0° | 106.2° |
| N5 | C20 | H11 | 127.5° | 126.9° |
| N6 | N7 | C19 | 109.1° | 108.9° |
| C20 | C19 | N7 | 108.1° | 106.5° |
| C20 | C19 | C18 | 130.5° | 126.7° |
| C19 | C20 | H11 | 127.5° | 126.9° |
| N7 | C19 | C18 | 121.4° | 126.8° |
| C19 | C18 | N4 | 109.4° | 109.5° |
| C19 | C18 | H4 | 109.5° | 109.5° |
| C19 | C18 | H5 | 109.5° | 109.5° |
| C18 | N4 | C17 | 117.3° | 120.0° |
| C18 | N4 | C23 | 116.9° | 120.0° |
| N4 | C18 | H4 | 109.5° | 109.4° |
| N4 | C18 | H5 | 109.5° | 109.5° |
| O1 | C17 | N4 | 120.8° | 120.0° |
| O1 | C17 | C16 | 118.2° | 120.0° |
| C17 | N4 | C23 | 125.8° | 120.0° |
| N4 | C17 | C16 | 120.9° | 120.0° |
| N4 | C23 | H1 | 109.5° | 109.5° |
| N4 | C23 | H2 | 109.5° | 109.5° |
| N4 | C23 | H3 | 109.5° | 109.5° |
| C6 | C5 | C4 | 109.5° | 109.5° |
| C6 | C5 | H34 | 109.5° | 109.5° |
| C6 | C5 | H35 | 109.5° | 109.5° |
| C5 | C6 | H36 | 109.5° | 109.4° |
| C5 | C6 | H37 | 109.5° | 109.5° |
| C5 | C6 | H38 | 109.5° | 109.5° |
| C17 | C16 | S | 113.6° | 125.1° |
| C17 | C16 | C24 | 135.1° | 125.2° |
| C5 | C4 | N1 | 112.9° | 109.5° |
| C5 | C4 | H32 | 108.6° | 109.5° |
| C5 | C4 | H33 | 108.6° | 109.5° |
| C4 | C5 | H34 | 109.5° | 109.5° |
| C4 | C5 | H35 | 109.5° | 109.5° |
| S | C16 | C24 | 111.2° | 109.7° |
| C16 | S | C14 | 92.2° | 91.9° |
| C16 | C24 | C13 | 113.0° | 113.4° |
| C16 | C24 | H15 | 123.5° | 123.4° |
| S | C14 | C13 | 110.9° | 110.8° |
| S | C14 | C15 | 119.3° | 124.6° |
| C7 | N | C1 | 117.0° | 120.0° |
| C7 | N | C | 122.5° | 120.0° |
| N | C7 | H26 | 109.5° | 109.5° |
| N | C7 | H27 | 109.4° | 109.5° |
| N | C7 | H28 | 109.5° | 109.4° |
| C24 | C13 | C14 | 112.6° | 114.3° |
| C24 | C13 | C12 | 121.7° | 122.9° |
| C13 | C24 | H15 | 123.5° | 123.3° |
| C4 | N1 | C3 | 128.1° | 125.9° |
| C4 | N1 | N2 | 120.8° | 125.9° |
| N1 | C4 | H32 | 108.6° | 109.4° |
| N1 | C4 | H33 | 108.6° | 109.4° |
| C3 | N1 | N2 | 110.9° | 108.2° |
| N1 | C3 | C2 | 105.1° | 106.2° |
| N1 | C3 | H31 | 127.5° | 126.9° |
| N1 | N2 | N3 | 106.9° | 110.2° |
| C3 | C2 | N3 | 108.0° | 106.5° |
| C3 | C2 | C1 | 130.0° | 126.8° |
| C2 | C3 | H31 | 127.4° | 126.9° |
| N2 | N3 | C2 | 109.1° | 108.8° |
| C13 | C14 | C15 | 129.8° | 124.6° |
| C14 | C13 | C12 | 125.1° | 122.9° |
| C14 | C15 | H12 | 109.5° | 109.5° |
| C14 | C15 | H13 | 109.5° | 109.5° |
| C14 | C15 | H14 | 109.5° | 109.5° |
| N3 | C2 | C1 | 121.9° | 126.7° |
| C2 | C1 | N | 118.4° | 109.5° |
| C2 | C1 | H29 | 107.2° | 109.5° |
| C2 | C1 | H30 | 107.2° | 109.5° |
| C13 | C12 | C25 | 121.2° | 124.7° |
| C13 | C12 | C11 | 127.2° | 124.7° |
| C1 | N | C | 120.5° | 120.0° |
| N | C1 | H29 | 107.2° | 109.4° |
| N | C1 | H30 | 107.2° | 109.5° |
| N | C | O | 119.8° | 120.0° |
| N | C | C8 | 120.2° | 120.0° |
| O | C | C8 | 120.0° | 120.0° |
| C | C8 | C9 | 128.6° | 125.2° |
| C | C8 | S1 | 121.0° | 125.1° |
| C25 | C12 | C11 | 111.6° | 110.6° |
| C12 | C25 | C26 | 104.1° | 104.9° |
| C12 | C25 | H16 | 110.8° | 110.4° |
| C12 | C25 | H17 | 110.8° | 110.4° |
| C12 | C11 | C10 | 126.8° | 124.7° |
| C12 | C11 | C27 | 111.4° | 110.6° |
| C25 | C26 | C27 | 107.6° | 101.9° |
| C26 | C25 | H16 | 110.8° | 110.3° |
| C26 | C25 | H17 | 110.8° | 110.3° |
| C25 | C26 | H18 | 109.9° | 110.9° |
| C25 | C26 | H19 | 109.9° | 110.9° |
| C8 | C9 | C10 | 114.1° | 113.4° |
| C9 | C8 | S1 | 110.4° | 109.7° |
| C8 | C9 | H22 | 122.9° | 123.3° |
| C9 | C10 | C11 | 120.7° | 122.9° |
| C9 | C10 | C28 | 112.3° | 114.2° |
| C10 | C9 | H22 | 122.9° | 123.3° |
| C8 | S1 | C28 | 92.3° | 91.9° |
| C10 | C11 | C27 | 121.8° | 124.8° |
| C11 | C10 | C28 | 125.8° | 122.9° |
| C11 | C27 | C26 | 103.9° | 104.9° |
| C11 | C27 | H20 | 110.9° | 110.4° |
| C11 | C27 | H21 | 110.8° | 110.3° |
| C10 | C28 | S1 | 110.8° | 110.8° |
| C10 | C28 | C29 | 130.0° | 124.6° |
| C27 | C26 | H18 | 109.9° | 111.0° |
| C27 | C26 | H19 | 109.9° | 110.9° |
| C26 | C27 | H20 | 110.8° | 110.4° |
| C26 | C27 | H21 | 110.8° | 110.4° |
| S1 | C28 | C29 | 119.2° | 124.6° |
| C28 | C29 | H23 | 109.5° | 109.4° |
| C28 | C29 | H24 | 109.5° | 109.5° |
| C28 | C29 | H25 | 109.5° | 109.5° |
| H1 | C23 | H2 | 109.4° | 109.4° |
| H1 | C23 | H3 | 109.5° | 109.4° |
| H2 | C23 | H3 | 109.5° | 109.5° |
| H4 | C18 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H12 | C15 | H13 | 109.4° | 109.5° |
| H12 | C15 | H14 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H16 | C25 | H17 | 109.5° | 110.4° |
| H18 | C26 | H19 | 109.5° | 110.9° |
| H20 | C27 | H21 | 109.5° | 110.3° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H23 | C29 | H25 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.4° | 109.5° |
| H26 | C7 | H27 | 109.5° | 109.5° |
| H26 | C7 | H28 | 109.5° | 109.5° |
| H27 | C7 | H28 | 109.5° | 109.5° |
| H29 | C1 | H30 | 109.5° | 109.5° |
| H32 | C4 | H33 | 109.4° | 109.5° |
| H34 | C5 | H35 | 109.4° | 109.4° |
| H36 | C6 | H37 | 109.5° | 109.5° |
| H36 | C6 | H38 | 109.5° | 109.5° |
| H37 | C6 | H38 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | N5 | H6 | 120.6° | 120.0° |
| C22 | C21 | N5 | H7 | 120.6° | 120.0° |
| C22 | C21 | N5 | N6 | 51.9° | 55.1° |
| C22 | C21 | N5 | C20 | 130.3° | 125.3° |
| C22 | C21 | H6 | H7 | 118.1° | 120.0° |
| C21 | C22 | H8 | H9 | 120.0° | 120.0° |
| C21 | C22 | H8 | H10 | 120.0° | 120.1° |
| C21 | C22 | H9 | H10 | 120.0° | 120.0° |
| C21 | N5 | N6 | C20 | 178.1° | 179.7° |
| C21 | N5 | N6 | N7 | 177.4° | 180.0° |
| C21 | N5 | C20 | C19 | 177.6° | 179.9° |
| N5 | C21 | H6 | H7 | 118.1° | 120.0° |
| N5 | C21 | C22 | H8 | 180.0° | 60.0° |
| N5 | C21 | C22 | H9 | 60.0° | 60.0° |
| N5 | C21 | C22 | H10 | 60.0° | 180.0° |
| C21 | N5 | C20 | H11 | 2.4° | 0.3° |
| N6 | N5 | C20 | C19 | 0.4° | 0.5° |
| N5 | N6 | N7 | C19 | 0.6° | 0.0° |
| N6 | N5 | C21 | H6 | 172.5° | 64.9° |
| N6 | N5 | C21 | H7 | 68.7° | 175.1° |
| N6 | N5 | C20 | H11 | 179.6° | 180.0° |
| C20 | N5 | N6 | N7 | 0.7° | 0.3° |
| N5 | C20 | C19 | H11 | 180.0° | 179.6° |
| N5 | C20 | C19 | N7 | 0.0° | 0.4° |
| N5 | C20 | C19 | C18 | 178.8° | 179.8° |
| C20 | N5 | C21 | H6 | 9.7° | 114.7° |
| C20 | N5 | C21 | H7 | 109.1° | 5.3° |
| N6 | N7 | C19 | C20 | 0.4° | 0.2° |
| N6 | N7 | C19 | C18 | 179.3° | 180.0° |
| C20 | C19 | N7 | C18 | 178.9° | 179.7° |
| C20 | C19 | C18 | N4 | 101.0° | 94.7° |
| C20 | C19 | C18 | H4 | 139.0° | 25.3° |
| C20 | C19 | C18 | H5 | 19.0° | 145.3° |
| N7 | C19 | C18 | N4 | 77.7° | 85.0° |
| N7 | C19 | C18 | H4 | 42.3° | 155.0° |
| N7 | C19 | C18 | H5 | 162.3° | 35.0° |
| N7 | C19 | C20 | H11 | 180.0° | 180.0° |
| C19 | C18 | N4 | H4 | 120.0° | 120.0° |
| C19 | C18 | N4 | H5 | 120.0° | 120.0° |
| C19 | C18 | N4 | C17 | 73.7° | 89.9° |
| C19 | C18 | N4 | C23 | 105.1° | 90.0° |
| C19 | C18 | H4 | H5 | 120.0° | 120.0° |
| C18 | C19 | C20 | H11 | 1.2° | 0.3° |
| C18 | N4 | C17 | O1 | 5.2° | 0.0° |
| C18 | N4 | C17 | C23 | 178.6° | 179.9° |
| C18 | N4 | C17 | C16 | 172.0° | 180.0° |
| C18 | N4 | C23 | H1 | 180.0° | 96.6° |
| C18 | N4 | C23 | H2 | 60.0° | 23.4° |
| C18 | N4 | C23 | H3 | 60.0° | 143.5° |
| N4 | C18 | H4 | H5 | 120.0° | 120.0° |
| O1 | C17 | N4 | C16 | 177.2° | 180.0° |
| O1 | C17 | N4 | C23 | 176.2° | 179.9° |
| O1 | C17 | C16 | S | 4.2° | 171.6° |
| O1 | C17 | C16 | C24 | 178.0° | 8.6° |
| N4 | C17 | C16 | S | 173.1° | 8.4° |
| N4 | C17 | C16 | C24 | 4.7° | 171.4° |
| C17 | N4 | C23 | H1 | 1.4° | 83.5° |
| C17 | N4 | C23 | H2 | 118.6° | 156.5° |
| C17 | N4 | C23 | H3 | 121.4° | 36.4° |
| C17 | N4 | C18 | H4 | 166.3° | 150.0° |
| C17 | N4 | C18 | H5 | 46.3° | 30.1° |
| C23 | N4 | C17 | C16 | 6.7° | 0.1° |
| N4 | C23 | H1 | H2 | 120.0° | 120.0° |
| N4 | C23 | H1 | H3 | 120.0° | 120.0° |
| N4 | C23 | H2 | H3 | 120.0° | 120.1° |
| C23 | N4 | C18 | H4 | 15.0° | 30.1° |
| C23 | N4 | C18 | H5 | 135.0° | 150.0° |
| C6 | C5 | C4 | H34 | 120.0° | 120.0° |
| C6 | C5 | C4 | H35 | 120.0° | 120.0° |
| C6 | C5 | C4 | N1 | 81.0° | 180.0° |
| C6 | C5 | C4 | H32 | 39.5° | 60.0° |
| C6 | C5 | C4 | H33 | 158.5° | 60.0° |
| C6 | C5 | H34 | H35 | 120.0° | 120.0° |
| C5 | C6 | H36 | H37 | 120.0° | 120.0° |
| C5 | C6 | H36 | H38 | 120.0° | 120.0° |
| C5 | C6 | H37 | H38 | 120.0° | 120.0° |
| C17 | C16 | S | C24 | 178.3° | 179.8° |
| C17 | C16 | S | C14 | 177.1° | 180.0° |
| C17 | C16 | C24 | C13 | 177.8° | 179.8° |
| C17 | C16 | C24 | H15 | 2.2° | 0.1° |
| C5 | C4 | N1 | H32 | 120.5° | 120.0° |
| C5 | C4 | N1 | H33 | 120.5° | 120.0° |
| C5 | C4 | N1 | C3 | 49.9° | 125.0° |
| C5 | C4 | N1 | N2 | 135.0° | 55.5° |
| C5 | C4 | H32 | H33 | 118.4° | 120.0° |
| C4 | C5 | H34 | H35 | 120.0° | 120.0° |
| C4 | C5 | C6 | H36 | 180.0° | 60.0° |
| C4 | C5 | C6 | H37 | 60.0° | 60.0° |
| C4 | C5 | C6 | H38 | 60.0° | 180.0° |
| S | C16 | C24 | C13 | 0.0° | 0.4° |
| C16 | S | C14 | C13 | 2.1° | 0.0° |
| C16 | S | C14 | C15 | 177.6° | 180.0° |
| S | C16 | C24 | H15 | 180.0° | 179.7° |
| C24 | C16 | S | C14 | 1.2° | 0.2° |
| C16 | C24 | C13 | H15 | 180.0° | 179.9° |
| C16 | C24 | C13 | C14 | 1.6° | 0.4° |
| C16 | C24 | C13 | C12 | 169.7° | 179.8° |
| S | C14 | C13 | C24 | 2.5° | 0.2° |
| S | C14 | C13 | C15 | 179.7° | 180.0° |
| S | C14 | C13 | C12 | 168.5° | 179.9° |
| S | C14 | C15 | H12 | 0.0° | 0.0° |
| S | C14 | C15 | H13 | 120.0° | 120.0° |
| S | C14 | C15 | H14 | 120.0° | 120.0° |
| C7 | N | C1 | C2 | 64.7° | 90.2° |
| C7 | N | C1 | C | 177.4° | 179.7° |
| C7 | N | C | O | 82.0° | 179.9° |
| C7 | N | C | C8 | 98.5° | 0.1° |
| N | C7 | H26 | H27 | 120.0° | 120.0° |
| N | C7 | H26 | H28 | 120.0° | 120.0° |
| N | C7 | H27 | H28 | 120.0° | 120.0° |
| C7 | N | C1 | H29 | 174.0° | 29.7° |
| C7 | N | C1 | H30 | 56.6° | 149.7° |
| C24 | C13 | C14 | C12 | 171.0° | 179.8° |
| C24 | C13 | C14 | C15 | 177.2° | 179.8° |
| C24 | C13 | C12 | C25 | 67.1° | 104.8° |
| C24 | C13 | C12 | C11 | 113.8° | 74.9° |
| C4 | N1 | C3 | N2 | 175.5° | 179.5° |
| C4 | N1 | C3 | C2 | 174.3° | 180.0° |
| C4 | N1 | N2 | N3 | 175.3° | 179.9° |
| C4 | N1 | C3 | H31 | 5.7° | 0.5° |
| N1 | C4 | H32 | H33 | 118.4° | 120.0° |
| N1 | C4 | C5 | H34 | 159.0° | 60.0° |
| N1 | C4 | C5 | H35 | 39.0° | 60.0° |
| N1 | C3 | C2 | H31 | 180.0° | 179.5° |
| C3 | N1 | N2 | N3 | 0.6° | 0.3° |
| N1 | C3 | C2 | N3 | 1.3° | 0.5° |
| N1 | C3 | C2 | C1 | 174.4° | 179.8° |
| C3 | N1 | C4 | H32 | 170.4° | 115.0° |
| C3 | N1 | C4 | H33 | 70.6° | 5.0° |
| N2 | N1 | C3 | C2 | 1.2° | 0.5° |
| N1 | N2 | N3 | C2 | 0.2° | 0.0° |
| N2 | N1 | C3 | H31 | 178.8° | 180.0° |
| N2 | N1 | C4 | H32 | 14.5° | 64.5° |
| N2 | N1 | C4 | H33 | 104.5° | 175.5° |
| C3 | C2 | N3 | N2 | 1.0° | 0.3° |
| C3 | C2 | N3 | C1 | 176.1° | 179.7° |
| C3 | C2 | C1 | N | 151.6° | 94.7° |
| C3 | C2 | C1 | H29 | 87.1° | 25.3° |
| C3 | C2 | C1 | H30 | 30.4° | 145.3° |
| N2 | N3 | C2 | C1 | 175.1° | 180.0° |
| C14 | C13 | C12 | C25 | 122.7° | 75.0° |
| C14 | C13 | C12 | C11 | 56.4° | 105.3° |
| C13 | C14 | C15 | H12 | 179.7° | 180.0° |
| C13 | C14 | C15 | H13 | 59.7° | 59.9° |
| C13 | C14 | C15 | H14 | 60.3° | 60.0° |
| C14 | C13 | C24 | H15 | 178.4° | 179.7° |
| C15 | C14 | C13 | C12 | 11.8° | 0.1° |
| C14 | C15 | H12 | H13 | 120.0° | 120.1° |
| C14 | C15 | H12 | H14 | 120.0° | 120.0° |
| C14 | C15 | H13 | H14 | 120.0° | 120.0° |
| N3 | C2 | C1 | N | 33.3° | 85.0° |
| N3 | C2 | C1 | H29 | 88.0° | 155.0° |
| N3 | C2 | C1 | H30 | 154.5° | 35.0° |
| N3 | C2 | C3 | H31 | 178.7° | 180.0° |
| C2 | C1 | N | H29 | 121.3° | 120.0° |
| C2 | C1 | N | H30 | 121.3° | 120.1° |
| C2 | C1 | N | C | 117.9° | 90.0° |
| C2 | C1 | H29 | H30 | 116.0° | 120.1° |
| C1 | C2 | C3 | H31 | 5.7° | 0.3° |
| C13 | C12 | C25 | C11 | 179.2° | 179.7° |
| C13 | C12 | C25 | C26 | 175.0° | 163.4° |
| C13 | C12 | C11 | C10 | 3.8° | 0.0° |
| C13 | C12 | C11 | C27 | 177.6° | 179.9° |
| C12 | C13 | C24 | H15 | 10.3° | 0.1° |
| C13 | C12 | C25 | H16 | 65.9° | 44.5° |
| C13 | C12 | C25 | H17 | 55.8° | 77.8° |
| C1 | N | C | O | 95.2° | 0.3° |
| C1 | N | C | C8 | 84.3° | 179.6° |
| C1 | N | C7 | H26 | 180.0° | 95.7° |
| C1 | N | C7 | H27 | 60.0° | 144.2° |
| C1 | N | C7 | H28 | 60.0° | 24.3° |
| N | C1 | H29 | H30 | 115.9° | 120.0° |
| N | C | O | C8 | 179.5° | 179.9° |
| N | C | C8 | C9 | 3.3° | 171.4° |
| N | C | C8 | S1 | 179.8° | 8.7° |
| C | N | C7 | H26 | 2.7° | 84.5° |
| C | N | C7 | H27 | 117.3° | 35.5° |
| C | N | C7 | H28 | 122.7° | 155.5° |
| C | N | C1 | H29 | 3.4° | 150.0° |
| C | N | C1 | H30 | 120.8° | 30.0° |
| O | C | C8 | C9 | 177.2° | 8.5° |
| O | C | C8 | S1 | 0.7° | 171.4° |
| C | C8 | C9 | S1 | 176.8° | 179.9° |
| C | C8 | C9 | C10 | 173.9° | 180.0° |
| C | C8 | S1 | C28 | 175.9° | 179.8° |
| C | C8 | C9 | H22 | 6.1° | 0.0° |
| C12 | C25 | C26 | H16 | 119.1° | 118.9° |
| C12 | C25 | C26 | H17 | 119.1° | 118.9° |
| C25 | C12 | C11 | C10 | 177.1° | 179.7° |
| C25 | C12 | C11 | C27 | 1.5° | 0.4° |
| C12 | C25 | C26 | C27 | 10.7° | 25.3° |
| C12 | C25 | H16 | H17 | 122.5° | 122.3° |
| C12 | C25 | C26 | H18 | 130.4° | 92.9° |
| C12 | C25 | C26 | H19 | 109.1° | 143.4° |
| C11 | C12 | C25 | C26 | 5.8° | 16.9° |
| C12 | C11 | C10 | C9 | 36.2° | 75.3° |
| C12 | C11 | C10 | C27 | 178.5° | 179.9° |
| C12 | C11 | C10 | C28 | 129.9° | 105.0° |
| C12 | C11 | C27 | C26 | 8.1° | 16.4° |
| C11 | C12 | C25 | H16 | 113.3° | 135.8° |
| C11 | C12 | C25 | H17 | 125.0° | 101.9° |
| C12 | C11 | C27 | H20 | 127.3° | 135.3° |
| C12 | C11 | C27 | H21 | 111.0° | 102.5° |
| C25 | C26 | C27 | C11 | 11.5° | 25.1° |
| C25 | C26 | C27 | H18 | 119.7° | 118.2° |
| C25 | C26 | C27 | H19 | 119.7° | 118.1° |
| C26 | C25 | H16 | H17 | 122.5° | 122.2° |
| C25 | C26 | H18 | H19 | 120.9° | 123.7° |
| C25 | C26 | C27 | H20 | 130.6° | 144.1° |
| C25 | C26 | C27 | H21 | 107.7° | 93.7° |
| C8 | C9 | C10 | H22 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 164.3° | 180.0° |
| C8 | C9 | C10 | C28 | 3.5° | 0.3° |
| C9 | C8 | S1 | C28 | 1.2° | 0.0° |
| C10 | C9 | C8 | S1 | 2.9° | 0.1° |
| C9 | C10 | C11 | C28 | 166.1° | 179.7° |
| C9 | C10 | C11 | C27 | 142.3° | 104.6° |
| C9 | C10 | C28 | S1 | 2.5° | 0.3° |
| C9 | C10 | C28 | C29 | 176.9° | 179.7° |
| C8 | S1 | C28 | C10 | 0.8° | 0.2° |
| C8 | S1 | C28 | C29 | 178.6° | 179.9° |
| S1 | C8 | C9 | H22 | 177.1° | 179.9° |
| C10 | C11 | C27 | C26 | 170.6° | 163.6° |
| C11 | C10 | C28 | S1 | 164.6° | 180.0° |
| C11 | C10 | C28 | C29 | 16.1° | 0.1° |
| C10 | C11 | C27 | H20 | 51.4° | 44.7° |
| C10 | C11 | C27 | H21 | 70.3° | 77.5° |
| C11 | C10 | C9 | H22 | 15.7° | 0.1° |
| C27 | C11 | C10 | C28 | 51.6° | 75.0° |
| C11 | C27 | C26 | H20 | 119.1° | 119.0° |
| C11 | C27 | C26 | H21 | 119.1° | 118.8° |
| C11 | C27 | C26 | H18 | 131.2° | 93.1° |
| C11 | C27 | C26 | H19 | 108.3° | 143.2° |
| C11 | C27 | H20 | H21 | 122.6° | 122.2° |
| C10 | C28 | S1 | C29 | 179.4° | 180.0° |
| C28 | C10 | C9 | H22 | 176.5° | 179.7° |
| C10 | C28 | C29 | H23 | 179.3° | 90.0° |
| C10 | C28 | C29 | H24 | 60.7° | 150.1° |
| C10 | C28 | C29 | H25 | 59.3° | 30.0° |
| C27 | C26 | C25 | H16 | 108.5° | 144.2° |
| C27 | C26 | C25 | H17 | 129.8° | 93.6° |
| C27 | C26 | H18 | H19 | 120.8° | 123.7° |
| C26 | C27 | H20 | H21 | 122.6° | 122.3° |
| S1 | C28 | C29 | H23 | 0.0° | 90.0° |
| S1 | C28 | C29 | H24 | 120.0° | 30.0° |
| S1 | C28 | C29 | H25 | 120.0° | 150.1° |
| C28 | C29 | H23 | H24 | 120.0° | 120.0° |
| C28 | C29 | H23 | H25 | 120.0° | 120.0° |
| C28 | C29 | H24 | H25 | 120.0° | 120.1° |
| H1 | C23 | H2 | H3 | 120.0° | 119.9° |
| H6 | C21 | C22 | H8 | 59.4° | 179.9° |
| H6 | C21 | C22 | H9 | 60.6° | 59.9° |
| H6 | C21 | C22 | H10 | 179.4° | 60.0° |
| H7 | C21 | C22 | H8 | 59.4° | 60.0° |
| H7 | C21 | C22 | H9 | 179.4° | 179.9° |
| H7 | C21 | C22 | H10 | 60.6° | 60.0° |
| H8 | C22 | H9 | H10 | 120.0° | 120.0° |
| H12 | C15 | H13 | H14 | 120.0° | 120.0° |
| H16 | C25 | C26 | H18 | 11.2° | 26.0° |
| H16 | C25 | C26 | H19 | 131.8° | 97.7° |
| H17 | C25 | C26 | H18 | 110.5° | 148.2° |
| H17 | C25 | C26 | H19 | 10.1° | 24.5° |
| H18 | C26 | C27 | H20 | 109.7° | 25.9° |
| H18 | C26 | C27 | H21 | 12.1° | 148.1° |
| H19 | C26 | C27 | H20 | 10.9° | 97.8° |
| H19 | C26 | C27 | H21 | 132.6° | 24.4° |
| H23 | C29 | H24 | H25 | 120.0° | 120.0° |
| H26 | C7 | H27 | H28 | 120.0° | 120.0° |
| H32 | C4 | C5 | H34 | 80.5° | 179.9° |
| H32 | C4 | C5 | H35 | 159.6° | 60.0° |
| H33 | C4 | C5 | H34 | 38.4° | 60.0° |
| H33 | C4 | C5 | H35 | 81.5° | 179.9° |
| H34 | C5 | C6 | H36 | 60.0° | 180.0° |
| H34 | C5 | C6 | H37 | 60.1° | 60.0° |
| H34 | C5 | C6 | H38 | 180.0° | 60.0° |
| H35 | C5 | C6 | H36 | 60.0° | 60.0° |
| H35 | C5 | C6 | H37 | 180.0° | 180.0° |
| H35 | C5 | C6 | H38 | 60.1° | 60.0° |
| H36 | C6 | H37 | H38 | 120.0° | 120.0° |
