96L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C18 | C17 | sing | 1.50Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | N6 | sing | 1.48Å | 1.49Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | N7 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| O | C15 | doub | 1.21Å | 1.22Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N6 | C15 | sing | 1.35Å | 1.35Å | |
| N6 | C16 | sing | 1.48Å | 1.47Å | |
| C15 | C3 | sing | 1.48Å | 1.50Å | |
| N7 | C26 | sing | 1.33Å | 1.33Å | |
| C16 | C26 | sing | 1.51Å | 1.51Å | |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C26 | O1 | doub | 1.21Å | 1.23Å | |
| N3 | C3 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| N2 | C1 | sing | 1.36Å | 1.37Å | Aromatic |
| N2 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.37Å | Aromatic |
| N | N1 | sing | 1.29Å | 1.40Å | Aromatic |
| C2 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | N4 | sing | 1.39Å | 1.34Å | |
| N4 | C6 | sing | 1.47Å | 1.46Å | |
| C10 | C6 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C9 | N5 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C14 | C12 | sing | 1.53Å | 1.50Å | |
| N5 | C8 | sing | 1.47Å | 1.48Å | |
| N5 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.60Å | |
| C12 | F | sing | 1.40Å | 1.39Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| C | H35 | sing | 1.09Å | 1.10Å | |
| C | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.08Å | 1.08Å | |
| N4 | H38 | sing | 0.97Å | 1.00Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 120.0° | 119.7° |
| C21 | C20 | C19 | 120.1° | 119.8° |
| C21 | C20 | H19 | 120.0° | 120.1° |
| C20 | C21 | H20 | 120.0° | 120.1° |
| C21 | C22 | C23 | 120.8° | 120.5° |
| C22 | C21 | H20 | 120.0° | 120.2° |
| C21 | C22 | H21 | 119.6° | 119.7° |
| C20 | C19 | C18 | 121.0° | 120.5° |
| C20 | C19 | H18 | 119.5° | 119.7° |
| C19 | C20 | H19 | 120.0° | 120.1° |
| C22 | C23 | C18 | 119.1° | 119.9° |
| C22 | C23 | C24 | 119.5° | 117.9° |
| C23 | C22 | H21 | 119.6° | 119.7° |
| C19 | C18 | C23 | 119.0° | 119.5° |
| C19 | C18 | C17 | 118.4° | 117.6° |
| C18 | C19 | H18 | 119.5° | 119.7° |
| C18 | C23 | C24 | 121.3° | 122.2° |
| C23 | C18 | C17 | 122.6° | 122.8° |
| C23 | C24 | C25 | 105.3° | 108.7° |
| C23 | C24 | N6 | 109.0° | 108.7° |
| C23 | C24 | H22 | 112.7° | 111.0° |
| C18 | C17 | C16 | 113.8° | 110.4° |
| C18 | C17 | H32 | 108.4° | 109.4° |
| C18 | C17 | H33 | 108.3° | 109.3° |
| C25 | C24 | N6 | 103.9° | 107.3° |
| C24 | C25 | C27 | 113.7° | 109.4° |
| C24 | C25 | N7 | 111.8° | 110.0° |
| C25 | C24 | H22 | 112.1° | 110.5° |
| C24 | C25 | H25 | 105.0° | 109.4° |
| C24 | N6 | C15 | 118.9° | 122.8° |
| C24 | N6 | C16 | 118.6° | 114.4° |
| N6 | C24 | H22 | 113.3° | 110.5° |
| C29 | C27 | C25 | 113.7° | 109.5° |
| C29 | C27 | C28 | 111.0° | 109.5° |
| C29 | C27 | H23 | 105.7° | 109.5° |
| C27 | C29 | H26 | 109.5° | 109.5° |
| C27 | C29 | H27 | 109.5° | 109.5° |
| C27 | C29 | H28 | 109.5° | 109.5° |
| C27 | C25 | N7 | 114.2° | 109.4° |
| C25 | C27 | C28 | 114.3° | 109.5° |
| C25 | C27 | H23 | 105.6° | 109.5° |
| C27 | C25 | H25 | 105.2° | 109.3° |
| C25 | N7 | C26 | 129.9° | 124.3° |
| C25 | N7 | H24 | 115.1° | 117.9° |
| N7 | C25 | H25 | 105.9° | 109.4° |
| C17 | C16 | N6 | 107.5° | 106.8° |
| C17 | C16 | C26 | 102.1° | 109.0° |
| C17 | C16 | H17 | 111.2° | 111.2° |
| C16 | C17 | H32 | 108.4° | 109.2° |
| C16 | C17 | H33 | 108.4° | 109.3° |
| O | C15 | N6 | 124.0° | 120.0° |
| O | C15 | C3 | 115.0° | 120.0° |
| C28 | C27 | H23 | 105.7° | 109.5° |
| C27 | C28 | H29 | 109.5° | 109.5° |
| C27 | C28 | H30 | 109.5° | 109.4° |
| C27 | C28 | H31 | 109.5° | 109.5° |
| C15 | N6 | C16 | 122.3° | 122.8° |
| N6 | C15 | C3 | 120.9° | 120.0° |
| N6 | C16 | C26 | 111.6° | 108.2° |
| N6 | C16 | H17 | 112.3° | 110.7° |
| C15 | C3 | N3 | 119.6° | 119.6° |
| C15 | C3 | C4 | 118.9° | 119.5° |
| N7 | C26 | C16 | 116.1° | 123.0° |
| N7 | C26 | O1 | 122.8° | 118.5° |
| C26 | N7 | H24 | 115.0° | 117.8° |
| C16 | C26 | O1 | 121.0° | 118.5° |
| C26 | C16 | H17 | 111.6° | 110.6° |
| C | C1 | N2 | 123.6° | 126.3° |
| C | C1 | N | 126.5° | 126.2° |
| C1 | C | H34 | 109.5° | 109.4° |
| C1 | C | H35 | 109.5° | 109.5° |
| C1 | C | H36 | 109.5° | 109.5° |
| C3 | N3 | N2 | 115.2° | 120.7° |
| N3 | C3 | C4 | 121.5° | 120.9° |
| N3 | N2 | C1 | 126.4° | 133.9° |
| N3 | N2 | C2 | 127.7° | 120.1° |
| C3 | C4 | C5 | 122.9° | 120.0° |
| C3 | C4 | H37 | 118.6° | 120.0° |
| C1 | N2 | C2 | 105.9° | 106.0° |
| N2 | C1 | N | 109.5° | 107.5° |
| N2 | C2 | C5 | 115.9° | 119.4° |
| N2 | C2 | N1 | 109.0° | 106.8° |
| C1 | N | N1 | 108.1° | 110.3° |
| C4 | C5 | C2 | 116.8° | 119.0° |
| C4 | C5 | N4 | 124.9° | 120.5° |
| C5 | C4 | H37 | 118.6° | 120.0° |
| N | N1 | C2 | 107.3° | 109.4° |
| C5 | C2 | N1 | 135.1° | 133.8° |
| C2 | C5 | N4 | 118.3° | 120.5° |
| C5 | N4 | C6 | 121.0° | 120.0° |
| C5 | N4 | H38 | 106.5° | 120.0° |
| N4 | C6 | C10 | 110.4° | 109.5° |
| N4 | C6 | C7 | 112.4° | 109.5° |
| C6 | N4 | H38 | 106.5° | 120.0° |
| N4 | C6 | H39 | 108.2° | 109.6° |
| C6 | C10 | C9 | 110.1° | 109.3° |
| C10 | C6 | C7 | 110.8° | 109.2° |
| C6 | C10 | H7 | 109.3° | 109.5° |
| C6 | C10 | H8 | 109.3° | 109.5° |
| C10 | C6 | H39 | 107.4° | 109.5° |
| C10 | C9 | N5 | 111.2° | 109.5° |
| C10 | C9 | H5 | 109.0° | 109.4° |
| C10 | C9 | H6 | 109.0° | 109.5° |
| C9 | C10 | H7 | 109.3° | 109.5° |
| C9 | C10 | H8 | 109.3° | 109.5° |
| C6 | C7 | C8 | 110.2° | 109.3° |
| C6 | C7 | H1 | 109.3° | 109.5° |
| C6 | C7 | H2 | 109.3° | 109.6° |
| C7 | C6 | H39 | 107.4° | 109.5° |
| C9 | N5 | C8 | 109.4° | 111.2° |
| C9 | N5 | C11 | 110.4° | 111.0° |
| N5 | C9 | H5 | 109.1° | 109.5° |
| N5 | C9 | H6 | 109.0° | 109.5° |
| C7 | C8 | N5 | 111.6° | 109.5° |
| C8 | C7 | H1 | 109.3° | 109.5° |
| C8 | C7 | H2 | 109.3° | 109.5° |
| C7 | C8 | H3 | 109.0° | 109.5° |
| C7 | C8 | H4 | 109.0° | 109.5° |
| C14 | C12 | C11 | 113.7° | 109.4° |
| C14 | C12 | F | 106.4° | 109.5° |
| C14 | C12 | C13 | 109.3° | 109.5° |
| C12 | C14 | H14 | 109.5° | 109.5° |
| C12 | C14 | H15 | 109.5° | 109.4° |
| C12 | C14 | H16 | 109.4° | 109.5° |
| C8 | N5 | C11 | 110.7° | 111.0° |
| N5 | C8 | H3 | 108.9° | 109.5° |
| N5 | C8 | H4 | 108.9° | 109.4° |
| N5 | C11 | C12 | 115.9° | 109.5° |
| N5 | C11 | H9 | 107.8° | 109.5° |
| N5 | C11 | H10 | 107.8° | 109.4° |
| C11 | C12 | F | 106.2° | 109.5° |
| C11 | C12 | C13 | 112.5° | 109.5° |
| C12 | C11 | H9 | 107.9° | 109.5° |
| C12 | C11 | H10 | 107.9° | 109.5° |
| F | C12 | C13 | 108.4° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C12 | C13 | H12 | 109.5° | 109.4° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.4° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.4° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.4° | 109.5° |
| H26 | C29 | H28 | 109.4° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.4° |
| H29 | C28 | H30 | 109.4° | 109.5° |
| H29 | C28 | H31 | 109.5° | 109.4° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.5° | 109.1° |
| H34 | C | H35 | 109.5° | 109.5° |
| H34 | C | H36 | 109.4° | 109.5° |
| H35 | C | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.1° | 0.1° |
| C21 | C20 | C19 | C18 | 1.5° | 0.0° |
| C21 | C20 | C19 | H18 | 178.5° | 180.0° |
| C20 | C21 | C22 | H21 | 178.9° | 180.0° |
| C22 | C21 | C20 | C19 | 1.8° | 0.1° |
| C21 | C22 | C23 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.1° | 0.3° |
| C21 | C22 | C23 | C24 | 179.1° | 179.3° |
| C22 | C21 | C20 | H19 | 178.2° | 179.9° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.5° | 0.3° |
| C20 | C19 | C18 | C17 | 179.7° | 179.1° |
| C19 | C20 | C21 | H20 | 178.2° | 179.8° |
| C22 | C23 | C18 | C19 | 0.2° | 0.4° |
| C22 | C23 | C18 | C24 | 179.2° | 179.6° |
| C22 | C23 | C18 | C17 | 179.6° | 178.9° |
| C22 | C23 | C24 | C25 | 84.1° | 78.3° |
| C22 | C23 | C24 | N6 | 165.0° | 165.2° |
| C23 | C22 | C21 | H20 | 178.9° | 180.0° |
| C22 | C23 | C24 | H22 | 38.4° | 43.5° |
| C19 | C18 | C23 | C17 | 179.9° | 179.3° |
| C19 | C18 | C23 | C24 | 179.4° | 179.2° |
| C19 | C18 | C17 | C16 | 166.5° | 161.4° |
| C18 | C19 | C20 | H19 | 178.5° | 180.0° |
| C19 | C18 | C17 | H32 | 72.8° | 41.2° |
| C19 | C18 | C17 | H33 | 45.9° | 78.2° |
| C18 | C23 | C24 | C25 | 95.1° | 101.3° |
| C18 | C23 | C24 | N6 | 15.8° | 15.1° |
| C23 | C18 | C17 | C16 | 13.3° | 19.3° |
| C23 | C18 | C19 | H18 | 179.5° | 179.7° |
| C18 | C23 | C22 | H21 | 179.9° | 179.7° |
| C18 | C23 | C24 | H22 | 142.4° | 136.9° |
| C23 | C18 | C17 | H32 | 107.3° | 139.5° |
| C23 | C18 | C17 | H33 | 134.0° | 101.1° |
| C24 | C23 | C18 | C17 | 0.4° | 1.5° |
| C23 | C24 | C25 | N6 | 114.5° | 117.4° |
| C23 | C24 | C25 | H22 | 122.8° | 122.1° |
| C23 | C24 | N6 | H22 | 126.3° | 122.0° |
| C23 | C24 | C25 | C27 | 156.7° | 171.4° |
| C23 | C24 | C25 | N7 | 72.1° | 68.5° |
| C23 | C24 | N6 | C15 | 127.1° | 129.6° |
| C23 | C24 | N6 | C16 | 49.5° | 50.1° |
| C24 | C23 | C22 | H21 | 0.9° | 0.7° |
| C23 | C24 | C25 | H25 | 42.2° | 51.7° |
| C18 | C17 | C16 | H32 | 120.6° | 120.3° |
| C18 | C17 | C16 | H33 | 120.6° | 120.4° |
| C18 | C17 | C16 | N6 | 40.3° | 49.4° |
| C18 | C17 | C16 | C26 | 77.3° | 67.4° |
| C18 | C17 | C16 | H17 | 163.6° | 170.3° |
| C17 | C18 | C19 | H18 | 0.3° | 0.9° |
| C18 | C17 | H32 | H33 | 118.0° | 119.6° |
| C25 | C24 | N6 | H22 | 121.9° | 120.5° |
| C24 | C25 | C27 | C29 | 45.8° | 177.1° |
| C24 | C25 | C27 | N7 | 130.0° | 120.5° |
| C24 | C25 | C27 | H25 | 114.3° | 119.7° |
| C24 | C25 | N7 | H25 | 113.8° | 120.1° |
| C24 | C25 | C27 | C28 | 83.1° | 57.0° |
| C25 | C24 | N6 | C15 | 121.0° | 113.0° |
| C25 | C24 | N6 | C16 | 62.4° | 67.3° |
| C24 | C25 | N7 | C26 | 16.9° | 19.8° |
| C24 | C25 | C27 | H23 | 161.2° | 63.0° |
| C24 | C25 | N7 | H24 | 163.1° | 159.9° |
| N6 | C24 | C25 | C27 | 88.8° | 71.2° |
| N6 | C24 | C25 | N7 | 42.4° | 48.9° |
| C24 | N6 | C16 | C17 | 62.6° | 69.4° |
| C24 | N6 | C15 | O | 12.6° | 1.7° |
| C24 | N6 | C15 | C16 | 176.5° | 179.7° |
| C24 | N6 | C15 | C3 | 164.6° | 178.3° |
| C24 | N6 | C16 | C26 | 48.6° | 47.9° |
| C24 | N6 | C16 | H17 | 174.8° | 169.4° |
| N6 | C24 | C25 | H25 | 156.8° | 169.1° |
| C29 | C27 | C25 | C28 | 128.9° | 120.0° |
| C29 | C27 | C25 | H23 | 115.5° | 120.0° |
| C29 | C27 | C25 | N7 | 175.8° | 62.4° |
| C29 | C27 | C28 | H23 | 114.2° | 120.0° |
| C29 | C27 | C25 | H25 | 68.5° | 57.3° |
| C27 | C29 | H26 | H27 | 120.0° | 120.0° |
| C27 | C29 | H26 | H28 | 120.0° | 120.1° |
| C27 | C29 | H27 | H28 | 120.0° | 120.0° |
| C29 | C27 | C28 | H29 | 180.0° | 180.0° |
| C29 | C27 | C28 | H30 | 60.0° | 60.0° |
| C29 | C27 | C28 | H31 | 60.0° | 60.0° |
| C27 | C25 | N7 | H25 | 115.3° | 119.7° |
| C25 | C27 | C28 | H23 | 115.6° | 120.0° |
| C27 | C25 | N7 | C26 | 114.1° | 100.3° |
| C27 | C25 | C24 | H22 | 33.9° | 49.4° |
| C27 | C25 | N7 | H24 | 65.9° | 80.0° |
| C25 | C27 | C29 | H26 | 180.0° | 175.1° |
| C25 | C27 | C29 | H27 | 60.0° | 55.1° |
| C25 | C27 | C29 | H28 | 60.0° | 64.9° |
| C25 | C27 | C28 | H29 | 49.8° | 60.0° |
| C25 | C27 | C28 | H30 | 169.8° | 180.0° |
| C25 | C27 | C28 | H31 | 70.2° | 60.0° |
| N7 | C25 | C27 | C28 | 46.9° | 177.6° |
| C25 | N7 | C26 | H24 | 180.0° | 179.7° |
| C25 | N7 | C26 | C16 | 0.6° | 2.1° |
| C25 | N7 | C26 | O1 | 179.9° | 177.9° |
| N7 | C25 | C24 | H22 | 165.0° | 169.5° |
| N7 | C25 | C27 | H23 | 68.8° | 57.5° |
| C17 | C16 | N6 | C15 | 113.9° | 110.4° |
| C17 | C16 | N6 | C26 | 111.2° | 117.3° |
| C17 | C16 | N6 | H17 | 122.6° | 121.3° |
| C17 | C16 | C26 | N7 | 100.9° | 101.4° |
| C17 | C16 | C26 | H17 | 118.8° | 122.7° |
| C17 | C16 | C26 | O1 | 78.4° | 78.6° |
| C16 | C17 | H32 | H33 | 118.0° | 119.5° |
| O | C15 | N6 | C3 | 177.2° | 180.0° |
| O | C15 | N6 | C16 | 171.0° | 178.1° |
| O | C15 | C3 | N3 | 131.3° | 172.8° |
| O | C15 | C3 | C4 | 45.7° | 7.2° |
| C28 | C27 | C25 | H25 | 162.6° | 62.7° |
| C28 | C27 | C29 | H26 | 49.5° | 64.9° |
| C28 | C27 | C29 | H27 | 169.5° | 175.1° |
| C28 | C27 | C29 | H28 | 70.5° | 55.1° |
| C27 | C28 | H29 | H30 | 120.0° | 120.0° |
| C27 | C28 | H29 | H31 | 120.0° | 120.0° |
| C27 | C28 | H30 | H31 | 120.0° | 120.0° |
| C15 | N6 | C16 | C26 | 134.9° | 132.3° |
| N6 | C15 | C3 | N3 | 46.1° | 7.2° |
| N6 | C15 | C3 | C4 | 136.8° | 172.8° |
| C15 | N6 | C16 | H17 | 8.7° | 10.9° |
| C15 | N6 | C24 | H22 | 0.9° | 7.6° |
| C16 | N6 | C15 | C3 | 11.9° | 1.9° |
| N6 | C16 | C26 | N7 | 13.7° | 14.4° |
| N6 | C16 | C26 | H17 | 126.5° | 121.5° |
| N6 | C16 | C26 | O1 | 167.0° | 165.5° |
| C16 | N6 | C24 | H22 | 175.7° | 172.2° |
| N6 | C16 | C17 | H32 | 80.3° | 169.7° |
| N6 | C16 | C17 | H33 | 160.9° | 71.0° |
| C15 | C3 | N3 | C4 | 177.0° | 179.9° |
| C15 | C3 | N3 | N2 | 179.3° | 180.0° |
| C15 | C3 | C4 | C5 | 179.8° | 180.0° |
| C15 | C3 | C4 | H37 | 0.2° | 0.1° |
| N7 | C26 | C16 | O1 | 179.3° | 180.0° |
| N7 | C26 | C16 | H17 | 140.2° | 135.9° |
| C26 | N7 | C25 | H25 | 130.7° | 140.0° |
| C16 | C26 | N7 | H24 | 179.4° | 177.7° |
| C26 | C16 | C17 | H32 | 162.1° | 52.9° |
| C26 | C16 | C17 | H33 | 43.3° | 172.3° |
| C | C1 | N2 | N3 | 2.1° | 0.4° |
| C | C1 | N2 | N | 174.0° | 179.7° |
| C | C1 | N2 | C2 | 176.4° | 179.7° |
| C | C1 | N | N1 | 178.1° | 179.7° |
| C1 | C | H34 | H35 | 120.0° | 120.0° |
| C1 | C | H34 | H36 | 120.0° | 120.0° |
| C1 | C | H35 | H36 | 120.0° | 120.0° |
| O1 | C26 | C16 | H17 | 40.5° | 44.0° |
| O1 | C26 | N7 | H24 | 0.1° | 2.4° |
| C3 | N3 | N2 | C1 | 179.6° | 179.9° |
| C3 | N3 | N2 | C2 | 1.4° | 0.0° |
| N3 | C3 | C4 | C5 | 2.8° | 0.1° |
| N3 | C3 | C4 | H37 | 177.2° | 180.0° |
| N2 | N3 | C3 | C4 | 2.3° | 0.1° |
| N3 | N2 | C1 | C2 | 178.5° | 179.9° |
| N3 | N2 | C1 | N | 176.1° | 179.9° |
| N3 | N2 | C2 | C5 | 0.8° | 0.0° |
| N3 | N2 | C2 | N1 | 179.2° | 179.9° |
| C3 | C4 | C5 | H37 | 180.0° | 179.9° |
| C3 | C4 | C5 | C2 | 2.0° | 0.1° |
| C3 | C4 | C5 | N4 | 176.6° | 180.0° |
| N2 | C1 | N | N1 | 4.4° | 0.0° |
| C1 | N2 | C2 | C5 | 179.3° | 179.9° |
| C1 | N2 | C2 | N1 | 0.6° | 0.0° |
| N2 | C1 | C | H34 | 173.0° | 90.3° |
| N2 | C1 | C | H35 | 52.9° | 29.6° |
| N2 | C1 | C | H36 | 67.1° | 149.7° |
| C2 | N2 | C1 | N | 2.4° | 0.0° |
| N2 | C2 | C5 | C4 | 1.0° | 0.0° |
| N2 | C2 | N1 | N | 3.2° | 0.0° |
| N2 | C2 | C5 | N1 | 179.9° | 180.0° |
| N2 | C2 | C5 | N4 | 177.7° | 180.0° |
| C1 | N | N1 | C2 | 4.7° | 0.0° |
| N | C1 | C | H34 | 0.0° | 90.0° |
| N | C1 | C | H35 | 120.0° | 150.0° |
| N | C1 | C | H36 | 120.0° | 29.9° |
| C4 | C5 | C2 | N4 | 178.6° | 180.0° |
| C4 | C5 | C2 | N1 | 178.9° | 179.9° |
| C4 | C5 | N4 | C6 | 9.4° | 0.0° |
| C4 | C5 | N4 | H38 | 131.0° | 180.0° |
| N | N1 | C2 | C5 | 176.7° | 179.9° |
| C2 | C5 | N4 | C6 | 172.1° | 180.0° |
| C2 | C5 | C4 | H37 | 178.0° | 180.0° |
| C2 | C5 | N4 | H38 | 50.5° | 0.0° |
| N1 | C2 | C5 | N4 | 2.5° | 0.1° |
| C5 | N4 | C6 | H38 | 121.6° | 180.0° |
| C5 | N4 | C6 | C10 | 119.7° | 155.0° |
| C5 | N4 | C6 | C7 | 116.1° | 85.3° |
| N4 | C5 | C4 | H37 | 3.4° | 0.1° |
| C5 | N4 | C6 | H39 | 2.4° | 34.8° |
| N4 | C6 | C10 | C7 | 125.2° | 119.9° |
| N4 | C6 | C10 | H39 | 117.8° | 120.2° |
| N4 | C6 | C10 | C9 | 179.9° | 177.6° |
| N4 | C6 | C7 | H39 | 118.9° | 120.2° |
| N4 | C6 | C7 | C8 | 177.2° | 177.6° |
| N4 | C6 | C7 | H1 | 57.1° | 62.5° |
| N4 | C6 | C7 | H2 | 62.7° | 57.6° |
| N4 | C6 | C10 | H7 | 60.0° | 57.6° |
| N4 | C6 | C10 | H8 | 59.8° | 62.5° |
| C6 | C10 | C9 | H7 | 120.1° | 120.0° |
| C6 | C10 | C9 | H8 | 120.1° | 120.0° |
| C10 | C6 | C7 | H39 | 117.1° | 119.9° |
| C6 | C10 | C9 | N5 | 58.9° | 59.2° |
| C10 | C6 | C7 | C8 | 53.2° | 57.7° |
| C10 | C6 | C7 | H1 | 67.0° | 177.6° |
| C10 | C6 | C7 | H2 | 173.3° | 62.3° |
| C6 | C10 | C9 | H5 | 61.4° | 60.8° |
| C6 | C10 | C9 | H6 | 179.1° | 179.2° |
| C6 | C10 | H7 | H8 | 119.7° | 120.1° |
| C10 | C6 | N4 | H38 | 1.9° | 25.0° |
| C9 | C10 | C6 | C7 | 54.8° | 57.7° |
| C10 | C9 | N5 | H5 | 120.3° | 120.0° |
| C10 | C9 | N5 | H6 | 120.2° | 120.0° |
| C10 | C9 | N5 | C8 | 60.9° | 61.7° |
| C10 | C9 | N5 | C11 | 177.1° | 174.2° |
| C10 | C9 | H5 | H6 | 119.2° | 120.0° |
| C9 | C10 | H7 | H8 | 119.7° | 120.1° |
| C9 | C10 | C6 | H39 | 62.3° | 62.3° |
| C6 | C7 | C8 | H1 | 120.1° | 120.0° |
| C6 | C7 | C8 | H2 | 120.1° | 120.0° |
| C6 | C7 | C8 | N5 | 56.0° | 59.1° |
| C6 | C7 | H1 | H2 | 119.6° | 120.1° |
| C6 | C7 | C8 | H3 | 176.3° | 179.2° |
| C6 | C7 | C8 | H4 | 64.3° | 60.8° |
| C7 | C6 | C10 | H7 | 174.8° | 62.3° |
| C7 | C6 | C10 | H8 | 65.4° | 177.6° |
| C7 | C6 | N4 | H38 | 122.4° | 94.7° |
| C9 | N5 | C8 | C7 | 59.4° | 61.8° |
| C9 | N5 | C8 | C11 | 121.8° | 124.1° |
| C9 | N5 | C11 | C12 | 85.5° | 162.4° |
| C9 | N5 | C8 | H3 | 179.7° | 178.2° |
| C9 | N5 | C8 | H4 | 60.9° | 58.2° |
| N5 | C9 | H5 | H6 | 119.2° | 120.0° |
| N5 | C9 | C10 | H7 | 179.0° | 60.8° |
| N5 | C9 | C10 | H8 | 61.2° | 179.1° |
| C9 | N5 | C11 | H9 | 153.5° | 42.4° |
| C9 | N5 | C11 | H10 | 35.4° | 77.5° |
| C7 | C8 | N5 | H3 | 120.3° | 120.0° |
| C7 | C8 | N5 | H4 | 120.3° | 120.0° |
| C7 | C8 | N5 | C11 | 178.7° | 174.1° |
| C8 | C7 | H1 | H2 | 119.6° | 120.1° |
| C7 | C8 | H3 | H4 | 119.0° | 120.0° |
| C8 | C7 | C6 | H39 | 63.9° | 62.3° |
| C14 | C12 | C11 | N5 | 67.8° | 55.3° |
| C14 | C12 | C11 | F | 116.7° | 120.0° |
| C14 | C12 | C11 | C13 | 124.9° | 120.0° |
| C14 | C12 | F | C13 | 117.4° | 120.0° |
| C14 | C12 | C11 | H9 | 171.3° | 64.7° |
| C14 | C12 | C11 | H10 | 53.2° | 175.3° |
| C14 | C12 | C13 | H11 | 180.0° | 60.0° |
| C14 | C12 | C13 | H12 | 60.0° | 60.0° |
| C14 | C12 | C13 | H13 | 60.0° | 180.0° |
| C12 | C14 | H14 | H15 | 120.0° | 119.9° |
| C12 | C14 | H14 | H16 | 120.0° | 120.0° |
| C12 | C14 | H15 | H16 | 120.0° | 120.0° |
| C8 | N5 | C11 | C12 | 153.2° | 73.3° |
| N5 | C8 | C7 | H1 | 64.1° | 179.1° |
| N5 | C8 | C7 | H2 | 176.1° | 60.9° |
| N5 | C8 | H3 | H4 | 119.0° | 119.9° |
| C8 | N5 | C9 | H5 | 59.3° | 58.2° |
| C8 | N5 | C9 | H6 | 178.8° | 178.2° |
| C8 | N5 | C11 | H9 | 32.2° | 166.7° |
| C8 | N5 | C11 | H10 | 85.9° | 46.7° |
| N5 | C11 | C12 | H9 | 120.9° | 120.0° |
| N5 | C11 | C12 | H10 | 120.9° | 120.0° |
| N5 | C11 | C12 | F | 175.5° | 64.7° |
| N5 | C11 | C12 | C13 | 57.1° | 175.3° |
| C11 | N5 | C8 | H3 | 58.4° | 54.1° |
| C11 | N5 | C8 | H4 | 60.9° | 65.9° |
| C11 | N5 | C9 | H5 | 62.7° | 65.9° |
| C11 | N5 | C9 | H6 | 56.8° | 54.1° |
| N5 | C11 | H9 | H10 | 117.1° | 119.9° |
| C11 | C12 | F | C13 | 121.1° | 120.0° |
| C12 | C11 | H9 | H10 | 117.1° | 120.0° |
| C11 | C12 | C13 | H11 | 52.7° | 60.0° |
| C11 | C12 | C13 | H12 | 172.7° | 180.0° |
| C11 | C12 | C13 | H13 | 67.3° | 60.0° |
| C11 | C12 | C14 | H14 | 180.0° | 60.1° |
| C11 | C12 | C14 | H15 | 60.0° | 180.0° |
| C11 | C12 | C14 | H16 | 60.0° | 60.0° |
| F | C12 | C11 | H9 | 54.6° | 175.3° |
| F | C12 | C11 | H10 | 63.5° | 55.3° |
| F | C12 | C13 | H11 | 64.4° | 180.0° |
| F | C12 | C13 | H12 | 55.6° | 60.0° |
| F | C12 | C13 | H13 | 175.6° | 60.0° |
| F | C12 | C14 | H14 | 63.4° | 59.9° |
| F | C12 | C14 | H15 | 56.6° | 60.0° |
| F | C12 | C14 | H16 | 176.6° | 180.0° |
| C13 | C12 | C11 | H9 | 63.8° | 55.3° |
| C13 | C12 | C11 | H10 | 178.1° | 64.7° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H13 | 120.0° | 120.0° |
| C12 | C13 | H12 | H13 | 120.0° | 120.0° |
| C13 | C12 | C14 | H14 | 53.4° | 180.0° |
| C13 | C12 | C14 | H15 | 173.4° | 60.0° |
| C13 | C12 | C14 | H16 | 66.6° | 60.0° |
| H1 | C7 | C8 | H3 | 56.2° | 60.8° |
| H1 | C7 | C8 | H4 | 175.5° | 59.2° |
| H1 | C7 | C6 | H39 | 176.0° | 57.7° |
| H2 | C7 | C8 | H3 | 63.6° | 59.2° |
| H2 | C7 | C8 | H4 | 55.8° | 179.2° |
| H2 | C7 | C6 | H39 | 56.2° | 177.8° |
| H5 | C9 | C10 | H7 | 58.7° | 179.2° |
| H5 | C9 | C10 | H8 | 178.5° | 59.1° |
| H6 | C9 | C10 | H7 | 60.8° | 59.2° |
| H6 | C9 | C10 | H8 | 59.0° | 60.8° |
| H7 | C10 | C6 | H39 | 57.7° | 177.8° |
| H8 | C10 | C6 | H39 | 177.6° | 57.7° |
| H11 | C13 | H12 | H13 | 120.0° | 120.0° |
| H14 | C14 | H15 | H16 | 120.0° | 120.1° |
| H17 | C16 | C17 | H32 | 43.0° | 69.4° |
| H17 | C16 | C17 | H33 | 75.8° | 50.0° |
| H18 | C19 | C20 | H19 | 1.5° | 0.0° |
| H19 | C20 | C21 | H20 | 1.8° | 0.2° |
| H20 | C21 | C22 | H21 | 1.1° | 0.0° |
| H22 | C24 | C25 | H25 | 80.6° | 70.4° |
| H23 | C27 | C25 | H25 | 46.9° | 177.3° |
| H23 | C27 | C29 | H26 | 64.6° | 55.1° |
| H23 | C27 | C29 | H27 | 55.4° | 64.9° |
| H23 | C27 | C29 | H28 | 175.4° | 175.1° |
| H23 | C27 | C28 | H29 | 65.8° | 60.0° |
| H23 | C27 | C28 | H30 | 54.1° | 60.0° |
| H23 | C27 | C28 | H31 | 174.2° | 180.0° |
| H24 | N7 | C25 | H25 | 49.4° | 39.8° |
| H26 | C29 | H27 | H28 | 119.9° | 120.0° |
| H29 | C28 | H30 | H31 | 120.0° | 120.0° |
| H34 | C | H35 | H36 | 119.9° | 120.0° |
| H38 | N4 | C6 | H39 | 119.2° | 145.1° |
