EW4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.51Å | 1.50Å | |
| N5 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C28 | sing | 1.32Å | 1.36Å | Aromatic |
| N6 | C28 | sing | 1.39Å | 1.34Å | |
| C26 | C25 | sing | 1.37Å | 1.39Å | Aromatic |
| C28 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C23 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| C24 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| N4 | C22 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C1 | sing | 1.47Å | 1.50Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| C2 | N | sing | 1.48Å | 1.47Å | |
| O | C3 | doub | 1.22Å | 1.23Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C21 | sing | 1.54Å | 1.56Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| N | C3 | sing | 1.35Å | 1.35Å | |
| N | C21 | sing | 1.48Å | 1.47Å | |
| C3 | C4 | sing | 1.47Å | 1.49Å | |
| C12 | C11 | doub | 1.29Å | 1.34Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | N2 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.52Å | 1.52Å | |
| C15 | C16 | sing | 1.52Å | 1.52Å | |
| C4 | C20 | sing | 1.47Å | 1.44Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | C16 | sing | 1.53Å | 1.54Å | |
| C10 | N2 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | doub | 1.34Å | 1.36Å | Aromatic |
| C18 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.35Å | 1.37Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.48Å | |
| C19 | N1 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| N6 | H27 | sing | 0.97Å | 1.00Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.08Å | 1.08Å | |
| C19 | H34 | sing | 1.08Å | 1.08Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C17 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| C16 | H39 | sing | 1.09Å | 1.10Å | |
| C16 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | N5 | 116.5° | 119.2° |
| C27 | C26 | C25 | 121.6° | 119.3° |
| C26 | C27 | H24 | 109.5° | 109.5° |
| C26 | C27 | H25 | 109.5° | 109.5° |
| C26 | C27 | H26 | 109.5° | 109.5° |
| C26 | N5 | C28 | 121.3° | 122.2° |
| N5 | C26 | C25 | 121.9° | 121.5° |
| N5 | C28 | N6 | 116.8° | 120.0° |
| N5 | C28 | C23 | 119.8° | 120.0° |
| N6 | C28 | C23 | 123.4° | 120.0° |
| C28 | N6 | H27 | 109.5° | 120.1° |
| C28 | N6 | H28 | 109.5° | 120.0° |
| C26 | C25 | C24 | 117.2° | 119.1° |
| C26 | C25 | H23 | 121.4° | 120.5° |
| C28 | C23 | C24 | 117.7° | 118.5° |
| C28 | C23 | N4 | 131.6° | 134.6° |
| C25 | C24 | C23 | 122.1° | 118.7° |
| C25 | C24 | N3 | 132.6° | 135.2° |
| C24 | C25 | H23 | 121.4° | 120.4° |
| C24 | C23 | N4 | 110.7° | 107.0° |
| C23 | C24 | N3 | 105.2° | 106.1° |
| C23 | N4 | C22 | 104.0° | 109.6° |
| C24 | N3 | C22 | 106.0° | 107.3° |
| C24 | N3 | C1 | 131.0° | 126.3° |
| N4 | C22 | N3 | 114.0° | 110.0° |
| N4 | C22 | H29 | 123.0° | 125.0° |
| C22 | N3 | C1 | 122.9° | 126.4° |
| N3 | C22 | H29 | 123.0° | 125.0° |
| N3 | C1 | C2 | 113.2° | 113.7° |
| N3 | C1 | C | 111.5° | 113.0° |
| N3 | C1 | C21 | 114.9° | 114.0° |
| C1 | C2 | N | 88.7° | 86.1° |
| C2 | C1 | C | 114.6° | 113.7° |
| C2 | C1 | C21 | 88.0° | 86.2° |
| C1 | C2 | H19 | 114.4° | 113.7° |
| C1 | C2 | H20 | 114.4° | 113.7° |
| C2 | N | C3 | 123.3° | 134.5° |
| C2 | N | C21 | 94.7° | 91.0° |
| N | C2 | H19 | 114.4° | 113.6° |
| N | C2 | H20 | 114.4° | 114.0° |
| O | C3 | N | 121.1° | 120.0° |
| O | C3 | C4 | 119.2° | 120.0° |
| C | C1 | C21 | 112.7° | 113.7° |
| C1 | C | H30 | 109.5° | 109.5° |
| C1 | C | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.5° |
| C1 | C21 | N | 88.6° | 86.0° |
| C1 | C21 | H21 | 114.4° | 113.8° |
| C1 | C21 | H22 | 114.4° | 113.9° |
| C12 | C13 | C14 | 118.9° | 108.7° |
| C13 | C12 | C11 | 130.4° | 120.4° |
| C13 | C12 | H12 | 114.8° | 119.8° |
| C12 | C13 | H13 | 107.1° | 109.7° |
| C12 | C13 | H14 | 107.1° | 109.6° |
| C13 | C14 | C15 | 111.9° | 110.8° |
| C14 | C13 | H13 | 107.1° | 109.6° |
| C14 | C13 | H14 | 107.1° | 109.6° |
| C13 | C14 | H15 | 108.9° | 109.2° |
| C13 | C14 | H16 | 108.9° | 109.2° |
| C3 | N | C21 | 141.4° | 134.5° |
| N | C3 | C4 | 119.6° | 120.0° |
| N | C21 | H21 | 114.4° | 113.8° |
| N | C21 | H22 | 114.4° | 113.7° |
| C3 | C4 | C20 | 126.3° | 126.9° |
| C3 | C4 | C5 | 127.7° | 126.9° |
| C12 | C11 | C10 | 130.8° | 120.4° |
| C12 | C11 | H11 | 114.6° | 119.8° |
| C11 | C12 | H12 | 114.8° | 119.8° |
| C11 | C10 | C16 | 119.5° | 108.6° |
| C11 | C10 | N2 | 109.3° | 109.6° |
| C11 | C10 | H10 | 102.9° | 109.8° |
| C10 | C11 | H11 | 114.6° | 119.8° |
| C18 | C17 | N2 | 112.8° | 109.5° |
| C17 | C18 | C7 | 111.3° | 109.3° |
| C17 | C18 | H35 | 109.0° | 109.5° |
| C17 | C18 | H36 | 109.0° | 109.6° |
| C18 | C17 | H37 | 108.6° | 109.4° |
| C18 | C17 | H38 | 108.6° | 109.5° |
| C17 | N2 | C10 | 110.8° | 111.0° |
| C17 | N2 | C9 | 112.0° | 111.2° |
| N2 | C17 | H37 | 108.6° | 109.4° |
| N2 | C17 | H38 | 108.7° | 109.5° |
| C14 | C15 | C16 | 115.4° | 113.6° |
| C15 | C14 | H15 | 108.9° | 109.2° |
| C15 | C14 | H16 | 108.9° | 109.2° |
| C14 | C15 | H17 | 108.0° | 108.6° |
| C14 | C15 | H18 | 108.0° | 108.6° |
| C15 | C16 | C10 | 115.6° | 110.8° |
| C16 | C15 | H17 | 108.0° | 108.7° |
| C16 | C15 | H18 | 108.0° | 108.6° |
| C15 | C16 | H39 | 107.9° | 109.3° |
| C15 | C16 | H40 | 107.9° | 109.2° |
| C20 | C4 | C5 | 106.0° | 106.1° |
| C4 | C20 | C19 | 107.3° | 106.3° |
| C4 | C20 | H33 | 126.3° | 126.8° |
| C4 | C5 | N1 | 109.0° | 108.4° |
| C4 | C5 | H1 | 125.5° | 125.8° |
| C16 | C10 | N2 | 116.6° | 109.6° |
| C16 | C10 | H10 | 102.7° | 109.6° |
| C10 | C16 | H39 | 107.9° | 109.2° |
| C10 | C16 | H40 | 107.9° | 109.2° |
| C10 | N2 | C9 | 113.8° | 111.0° |
| N2 | C10 | H10 | 103.1° | 109.6° |
| C20 | C19 | N1 | 109.4° | 108.9° |
| C19 | C20 | H33 | 126.4° | 126.8° |
| C20 | C19 | H34 | 125.3° | 125.6° |
| C18 | C7 | C6 | 112.8° | 109.5° |
| C18 | C7 | C8 | 108.8° | 109.2° |
| C18 | C7 | H4 | 106.5° | 109.6° |
| C7 | C18 | H35 | 109.0° | 109.5° |
| C7 | C18 | H36 | 109.0° | 109.5° |
| C5 | N1 | C19 | 108.3° | 110.3° |
| C5 | N1 | C6 | 125.8° | 124.8° |
| N1 | C5 | H1 | 125.5° | 125.8° |
| N2 | C9 | C8 | 113.0° | 109.6° |
| N2 | C9 | H8 | 108.6° | 109.4° |
| N2 | C9 | H9 | 108.5° | 109.5° |
| C19 | N1 | C6 | 126.0° | 124.9° |
| N1 | C19 | H34 | 125.3° | 125.5° |
| N1 | C6 | C7 | 113.3° | 109.4° |
| N1 | C6 | H2 | 108.5° | 109.5° |
| N1 | C6 | H3 | 108.5° | 109.5° |
| C6 | C7 | C8 | 115.3° | 109.5° |
| C7 | C6 | H2 | 108.5° | 109.5° |
| C7 | C6 | H3 | 108.5° | 109.5° |
| C6 | C7 | H4 | 106.4° | 109.6° |
| C7 | C8 | C9 | 111.1° | 109.3° |
| C8 | C7 | H4 | 106.4° | 109.5° |
| C7 | C8 | H5 | 109.1° | 109.5° |
| C7 | C8 | H6 | 109.1° | 109.5° |
| C9 | C8 | H5 | 109.0° | 109.5° |
| C9 | C8 | H6 | 109.0° | 109.5° |
| C8 | C9 | H8 | 108.6° | 109.5° |
| C8 | C9 | H9 | 108.6° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.7° |
| H15 | C14 | H16 | 109.4° | 109.2° |
| H17 | C15 | H18 | 109.5° | 108.6° |
| H19 | C2 | H20 | 109.5° | 113.1° |
| H21 | C21 | H22 | 109.5° | 112.9° |
| H24 | C27 | H25 | 109.4° | 109.4° |
| H24 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.4° | 109.4° |
| H27 | N6 | H28 | 109.4° | 120.0° |
| H30 | C | H31 | 109.5° | 109.4° |
| H30 | C | H32 | 109.5° | 109.5° |
| H31 | C | H32 | 109.5° | 109.5° |
| H35 | C18 | H36 | 109.5° | 109.5° |
| H37 | C17 | H38 | 109.5° | 109.5° |
| H39 | C16 | H40 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | N5 | C25 | 177.5° | 180.0° |
| C27 | C26 | N5 | C28 | 176.7° | 179.9° |
| C27 | C26 | C25 | C24 | 175.9° | 180.0° |
| C27 | C26 | C25 | H23 | 4.1° | 0.1° |
| C26 | C27 | H24 | H25 | 120.0° | 120.0° |
| C26 | C27 | H24 | H26 | 120.0° | 120.0° |
| C26 | C27 | H25 | H26 | 120.0° | 120.0° |
| C26 | N5 | C28 | N6 | 179.5° | 180.0° |
| C26 | N5 | C28 | C23 | 0.6° | 0.1° |
| N5 | C26 | C25 | C24 | 1.5° | 0.0° |
| N5 | C26 | C25 | H23 | 178.5° | 180.0° |
| N5 | C26 | C27 | H24 | 0.0° | 89.9° |
| N5 | C26 | C27 | H25 | 120.0° | 30.0° |
| N5 | C26 | C27 | H26 | 120.0° | 150.0° |
| N5 | C28 | N6 | C23 | 179.9° | 179.9° |
| C28 | N5 | C26 | C25 | 0.8° | 0.0° |
| N5 | C28 | C23 | C24 | 1.2° | 0.1° |
| N5 | C28 | C23 | N4 | 177.4° | 180.0° |
| N5 | C28 | N6 | H27 | 0.0° | 0.0° |
| N5 | C28 | N6 | H28 | 120.0° | 180.0° |
| N6 | C28 | C23 | C24 | 178.9° | 180.0° |
| N6 | C28 | C23 | N4 | 2.5° | 0.1° |
| C28 | N6 | H27 | H28 | 120.0° | 180.0° |
| C26 | C25 | C24 | H23 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.8° | 0.0° |
| C26 | C25 | C24 | N3 | 178.0° | 180.0° |
| C25 | C26 | C27 | H24 | 177.5° | 90.0° |
| C25 | C26 | C27 | H25 | 57.5° | 150.0° |
| C25 | C26 | C27 | H26 | 62.5° | 30.0° |
| C28 | C23 | C24 | C25 | 0.4° | 0.0° |
| C28 | C23 | C24 | N4 | 178.9° | 180.0° |
| C28 | C23 | C24 | N3 | 179.6° | 179.9° |
| C28 | C23 | N4 | C22 | 178.9° | 179.9° |
| C23 | C28 | N6 | H27 | 179.9° | 180.0° |
| C23 | C28 | N6 | H28 | 60.1° | 0.1° |
| C25 | C24 | C23 | N3 | 179.1° | 180.0° |
| C25 | C24 | C23 | N4 | 178.4° | 180.0° |
| C25 | C24 | N3 | C22 | 178.1° | 180.0° |
| C25 | C24 | N3 | C1 | 5.8° | 0.2° |
| C24 | C23 | N4 | C22 | 0.2° | 0.0° |
| C23 | C24 | N3 | C22 | 0.9° | 0.0° |
| C23 | C24 | N3 | C1 | 175.2° | 179.8° |
| C23 | C24 | C25 | H23 | 179.1° | 180.0° |
| N4 | C23 | C24 | N3 | 0.7° | 0.0° |
| C23 | N4 | C22 | N3 | 0.4° | 0.0° |
| C23 | N4 | C22 | H29 | 179.6° | 179.7° |
| C24 | N3 | C22 | N4 | 0.8° | 0.0° |
| C24 | N3 | C22 | C1 | 176.5° | 179.8° |
| C24 | N3 | C1 | C2 | 64.8° | 179.7° |
| C24 | N3 | C1 | C | 66.2° | 48.7° |
| C24 | N3 | C1 | C21 | 163.9° | 83.1° |
| N3 | C24 | C25 | H23 | 2.0° | 0.1° |
| C24 | N3 | C22 | H29 | 179.2° | 179.7° |
| N4 | C22 | N3 | H29 | 180.0° | 179.7° |
| N4 | C22 | N3 | C1 | 175.7° | 179.8° |
| C22 | N3 | C1 | C2 | 119.8° | 0.0° |
| C22 | N3 | C1 | C | 109.2° | 131.6° |
| C22 | N3 | C1 | C21 | 20.6° | 96.6° |
| N3 | C1 | C2 | C | 129.5° | 131.2° |
| N3 | C1 | C2 | C21 | 116.3° | 114.5° |
| N3 | C1 | C2 | N | 116.3° | 90.7° |
| N3 | C1 | C | C21 | 131.0° | 131.9° |
| N3 | C1 | C21 | N | 114.8° | 90.5° |
| N3 | C1 | C2 | H19 | 127.4° | 23.4° |
| N3 | C1 | C2 | H20 | 0.0° | 154.8° |
| N3 | C1 | C21 | H21 | 1.5° | 155.2° |
| N3 | C1 | C21 | H22 | 128.9° | 23.8° |
| C1 | N3 | C22 | H29 | 4.3° | 0.1° |
| N3 | C1 | C | H30 | 180.0° | 69.7° |
| N3 | C1 | C | H31 | 60.0° | 170.4° |
| N3 | C1 | C | H32 | 60.0° | 50.4° |
| C1 | C2 | N | H19 | 116.3° | 114.2° |
| C1 | C2 | N | H20 | 116.3° | 114.3° |
| C2 | C1 | C | C21 | 98.7° | 96.5° |
| C1 | C2 | N | C3 | 172.5° | 155.4° |
| C1 | C2 | N | C21 | 0.0° | 24.9° |
| C1 | C2 | H19 | H20 | 129.9° | 131.7° |
| C2 | C1 | C21 | H21 | 116.3° | 90.5° |
| C2 | C1 | C21 | H22 | 116.3° | 138.1° |
| C2 | C1 | C | H30 | 49.7° | 61.9° |
| C2 | C1 | C | H31 | 169.7° | 58.0° |
| C2 | C1 | C | H32 | 70.3° | 178.1° |
| C2 | N | C3 | O | 6.3° | 179.6° |
| N | C2 | C1 | C | 114.2° | 138.1° |
| C2 | N | C3 | C21 | 168.1° | 179.6° |
| C2 | N | C3 | C4 | 174.8° | 0.4° |
| N | C2 | H19 | H20 | 129.8° | 131.9° |
| C2 | N | C21 | H21 | 116.3° | 89.4° |
| C2 | N | C21 | H22 | 116.3° | 139.3° |
| O | C3 | N | C4 | 178.9° | 180.0° |
| O | C3 | N | C21 | 174.4° | 0.0° |
| O | C3 | C4 | C20 | 21.6° | 180.0° |
| O | C3 | C4 | C5 | 159.2° | 0.3° |
| C | C1 | C21 | N | 115.9° | 138.1° |
| C | C1 | C2 | H19 | 2.1° | 107.8° |
| C | C1 | C2 | H20 | 129.5° | 23.6° |
| C | C1 | C21 | H21 | 127.8° | 23.8° |
| C | C1 | C21 | H22 | 0.4° | 107.6° |
| C1 | C | H30 | H31 | 120.0° | 120.0° |
| C1 | C | H30 | H32 | 120.0° | 120.0° |
| C1 | C | H31 | H32 | 120.0° | 120.0° |
| C1 | C21 | N | C3 | 170.0° | 155.4° |
| C1 | C21 | N | H21 | 116.3° | 114.3° |
| C1 | C21 | N | H22 | 116.3° | 114.5° |
| C21 | C1 | C2 | H19 | 116.3° | 137.9° |
| C21 | C1 | C2 | H20 | 116.3° | 90.7° |
| C1 | C21 | H21 | H22 | 129.9° | 131.9° |
| C21 | C1 | C | H30 | 49.0° | 158.4° |
| C21 | C1 | C | H31 | 71.0° | 38.5° |
| C21 | C1 | C | H32 | 169.0° | 81.6° |
| C12 | C13 | C14 | H13 | 121.3° | 119.8° |
| C12 | C13 | C14 | H14 | 121.3° | 119.8° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 1.1° | 0.1° |
| C12 | C13 | C14 | C15 | 62.5° | 85.7° |
| C13 | C12 | C11 | H11 | 178.9° | 180.0° |
| C12 | C13 | H13 | H14 | 115.8° | 120.4° |
| C12 | C13 | C14 | H15 | 177.2° | 34.6° |
| C12 | C13 | C14 | H16 | 57.9° | 153.9° |
| C14 | C13 | C12 | C11 | 36.9° | 71.8° |
| C13 | C14 | C15 | H15 | 120.4° | 120.3° |
| C13 | C14 | C15 | H16 | 120.4° | 120.3° |
| C13 | C14 | C15 | C16 | 78.8° | 66.5° |
| C14 | C13 | C12 | H12 | 143.1° | 108.1° |
| C14 | C13 | H13 | H14 | 115.7° | 120.4° |
| C13 | C14 | H15 | H16 | 118.9° | 119.3° |
| C13 | C14 | C15 | H17 | 42.0° | 172.4° |
| C13 | C14 | C15 | H18 | 160.3° | 54.5° |
| N | C3 | C4 | C20 | 157.4° | 0.0° |
| N | C3 | C4 | C5 | 21.8° | 179.7° |
| C3 | N | C2 | H19 | 71.1° | 41.2° |
| C3 | N | C2 | H20 | 56.2° | 90.3° |
| C3 | N | C21 | H21 | 53.7° | 90.3° |
| C3 | N | C21 | H22 | 73.7° | 41.0° |
| C21 | N | C3 | C4 | 6.7° | 180.0° |
| C21 | N | C2 | H19 | 116.3° | 139.1° |
| C21 | N | C2 | H20 | 116.3° | 89.4° |
| N | C21 | H21 | H22 | 129.9° | 131.6° |
| C3 | C4 | C20 | C5 | 179.4° | 179.7° |
| C3 | C4 | C20 | C19 | 178.9° | 179.7° |
| C3 | C4 | C5 | N1 | 179.0° | 179.7° |
| C3 | C4 | C5 | H1 | 1.0° | 0.3° |
| C3 | C4 | C20 | H33 | 1.1° | 0.3° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C16 | 31.0° | 71.9° |
| C12 | C11 | C10 | N2 | 168.9° | 47.8° |
| C12 | C11 | C10 | H10 | 81.9° | 168.2° |
| C11 | C12 | C13 | H13 | 84.4° | 168.4° |
| C11 | C12 | C13 | H14 | 158.2° | 48.0° |
| C11 | C10 | N2 | C17 | 93.6° | 52.6° |
| C11 | C10 | C16 | C15 | 53.9° | 85.7° |
| C11 | C10 | C16 | N2 | 135.1° | 119.7° |
| C11 | C10 | C16 | H10 | 113.0° | 120.0° |
| C11 | C10 | N2 | H10 | 109.0° | 120.5° |
| C11 | C10 | N2 | C9 | 139.1° | 176.8° |
| C10 | C11 | C12 | H12 | 178.9° | 180.0° |
| C11 | C10 | C16 | H39 | 174.8° | 153.9° |
| C11 | C10 | C16 | H40 | 67.0° | 34.6° |
| C18 | C17 | N2 | H37 | 120.5° | 120.0° |
| C18 | C17 | N2 | H38 | 120.5° | 120.0° |
| C18 | C17 | N2 | C10 | 179.1° | 174.1° |
| C17 | C18 | C7 | H35 | 120.3° | 120.0° |
| C17 | C18 | C7 | H36 | 120.2° | 120.0° |
| C18 | C17 | N2 | C9 | 52.6° | 61.7° |
| C17 | C18 | C7 | C6 | 173.7° | 177.6° |
| C17 | C18 | C7 | C8 | 57.0° | 57.7° |
| C17 | C18 | C7 | H4 | 57.3° | 62.2° |
| C17 | C18 | H35 | H36 | 119.2° | 120.2° |
| C18 | C17 | H37 | H38 | 118.5° | 120.0° |
| C17 | N2 | C10 | C16 | 127.1° | 171.8° |
| C17 | N2 | C10 | C9 | 127.3° | 124.2° |
| N2 | C17 | C18 | C7 | 56.3° | 59.2° |
| C17 | N2 | C9 | C8 | 51.6° | 61.7° |
| C17 | N2 | C9 | H8 | 68.9° | 178.2° |
| C17 | N2 | C9 | H9 | 172.1° | 58.3° |
| C17 | N2 | C10 | H10 | 15.4° | 67.9° |
| N2 | C17 | C18 | H35 | 63.9° | 179.1° |
| N2 | C17 | C18 | H36 | 176.6° | 60.8° |
| N2 | C17 | H37 | H38 | 118.5° | 120.0° |
| C14 | C15 | C16 | H17 | 120.9° | 121.1° |
| C14 | C15 | C16 | H18 | 120.9° | 121.0° |
| C14 | C15 | C16 | C10 | 75.2° | 66.4° |
| C15 | C14 | C13 | H13 | 58.9° | 154.5° |
| C15 | C14 | C13 | H14 | 176.2° | 34.0° |
| C15 | C14 | H15 | H16 | 118.9° | 119.4° |
| C14 | C15 | H17 | H18 | 117.3° | 118.0° |
| C14 | C15 | C16 | H39 | 163.9° | 173.2° |
| C14 | C15 | C16 | H40 | 45.7° | 53.8° |
| C15 | C16 | C10 | H39 | 120.9° | 120.4° |
| C15 | C16 | C10 | H40 | 120.9° | 120.3° |
| C15 | C16 | C10 | N2 | 171.0° | 34.0° |
| C15 | C16 | C10 | H10 | 59.1° | 154.4° |
| C16 | C15 | C14 | H15 | 160.8° | 53.8° |
| C16 | C15 | C14 | H16 | 41.5° | 173.2° |
| C16 | C15 | H17 | H18 | 117.3° | 118.0° |
| C15 | C16 | H39 | H40 | 117.2° | 119.3° |
| C4 | C20 | C19 | H33 | 180.0° | 180.0° |
| C20 | C4 | C5 | N1 | 0.4° | 0.0° |
| C4 | C20 | C19 | N1 | 0.4° | 0.0° |
| C20 | C4 | C5 | H1 | 179.6° | 180.0° |
| C4 | C20 | C19 | H34 | 179.6° | 180.0° |
| C5 | C4 | C20 | C19 | 0.5° | 0.0° |
| C4 | C5 | N1 | H1 | 180.0° | 179.9° |
| C4 | C5 | N1 | C19 | 0.1° | 0.0° |
| C4 | C5 | N1 | C6 | 179.8° | 180.0° |
| C5 | C4 | C20 | H33 | 179.5° | 180.0° |
| C16 | C10 | N2 | H10 | 111.6° | 120.3° |
| C16 | C10 | N2 | C9 | 0.2° | 64.0° |
| C16 | C10 | C11 | H11 | 149.0° | 108.1° |
| C10 | C16 | C15 | H17 | 45.7° | 172.5° |
| C10 | C16 | C15 | H18 | 163.9° | 54.6° |
| C10 | C16 | H39 | H40 | 117.2° | 119.3° |
| C10 | N2 | C9 | C8 | 178.3° | 174.2° |
| C10 | N2 | C9 | H8 | 57.7° | 54.1° |
| C10 | N2 | C9 | H9 | 61.2° | 65.8° |
| N2 | C10 | C11 | H11 | 11.0° | 132.2° |
| C10 | N2 | C17 | H37 | 60.4° | 54.2° |
| C10 | N2 | C17 | H38 | 58.6° | 65.8° |
| N2 | C10 | C16 | H39 | 50.1° | 86.4° |
| N2 | C10 | C16 | H40 | 68.1° | 154.3° |
| C20 | C19 | N1 | C5 | 0.2° | 0.0° |
| C20 | C19 | N1 | H34 | 180.0° | 180.0° |
| C20 | C19 | N1 | C6 | 179.5° | 180.0° |
| C18 | C7 | C6 | N1 | 72.8° | 65.3° |
| C18 | C7 | C6 | C8 | 125.9° | 119.7° |
| C18 | C7 | C6 | H4 | 116.4° | 120.2° |
| C18 | C7 | C8 | H4 | 114.4° | 120.0° |
| C18 | C7 | C8 | C9 | 55.7° | 57.6° |
| C18 | C7 | C6 | H2 | 47.8° | 54.7° |
| C18 | C7 | C6 | H3 | 166.7° | 174.7° |
| C18 | C7 | C8 | H5 | 64.5° | 62.3° |
| C18 | C7 | C8 | H6 | 176.0° | 177.6° |
| C7 | C18 | H35 | H36 | 119.2° | 120.0° |
| C7 | C18 | C17 | H37 | 64.1° | 179.2° |
| C7 | C18 | C17 | H38 | 176.8° | 60.8° |
| C5 | N1 | C19 | C6 | 179.7° | 179.9° |
| C5 | N1 | C6 | C7 | 102.3° | 90.0° |
| C5 | N1 | C6 | H2 | 18.3° | 150.0° |
| C5 | N1 | C6 | H3 | 137.1° | 30.0° |
| C5 | N1 | C19 | H34 | 179.8° | 180.0° |
| N2 | C9 | C8 | C7 | 54.0° | 59.2° |
| N2 | C9 | C8 | H8 | 120.5° | 120.0° |
| N2 | C9 | C8 | H9 | 120.5° | 120.1° |
| N2 | C9 | C8 | H5 | 66.2° | 60.8° |
| N2 | C9 | C8 | H6 | 174.2° | 179.1° |
| N2 | C9 | H8 | H9 | 118.4° | 120.0° |
| C9 | N2 | C10 | H10 | 111.9° | 56.3° |
| C9 | N2 | C17 | H37 | 67.9° | 178.3° |
| C9 | N2 | C17 | H38 | 173.1° | 58.3° |
| C19 | N1 | C6 | C7 | 77.3° | 90.0° |
| C19 | N1 | C5 | H1 | 179.9° | 180.0° |
| C19 | N1 | C6 | H2 | 162.1° | 30.0° |
| C19 | N1 | C6 | H3 | 43.2° | 150.0° |
| N1 | C19 | C20 | H33 | 179.6° | 180.0° |
| N1 | C6 | C7 | H2 | 120.6° | 120.0° |
| N1 | C6 | C7 | H3 | 120.6° | 120.0° |
| N1 | C6 | C7 | C8 | 161.4° | 175.0° |
| C6 | N1 | C5 | H1 | 0.2° | 0.1° |
| N1 | C6 | H2 | H3 | 118.3° | 120.0° |
| N1 | C6 | C7 | H4 | 43.7° | 54.9° |
| C6 | N1 | C19 | H34 | 0.5° | 0.0° |
| C6 | C7 | C8 | H4 | 117.7° | 120.1° |
| C6 | C7 | C8 | C9 | 176.3° | 177.5° |
| C7 | C6 | H2 | H3 | 118.2° | 120.0° |
| C6 | C7 | C8 | H5 | 63.4° | 57.6° |
| C6 | C7 | C8 | H6 | 56.1° | 62.5° |
| C6 | C7 | C18 | H35 | 66.1° | 62.5° |
| C6 | C7 | C18 | H36 | 53.4° | 57.5° |
| C7 | C8 | C9 | H5 | 120.2° | 119.9° |
| C7 | C8 | C9 | H6 | 120.2° | 120.0° |
| C8 | C7 | C6 | H2 | 78.1° | 65.0° |
| C8 | C7 | C6 | H3 | 40.8° | 55.0° |
| C7 | C8 | H5 | H6 | 119.3° | 120.2° |
| C7 | C8 | C9 | H8 | 66.5° | 179.2° |
| C7 | C8 | C9 | H9 | 174.5° | 60.9° |
| C8 | C7 | C18 | H35 | 63.3° | 177.6° |
| C8 | C7 | C18 | H36 | 177.2° | 62.3° |
| C9 | C8 | C7 | H4 | 58.7° | 62.3° |
| C9 | C8 | H5 | H6 | 119.2° | 120.1° |
| C8 | C9 | H8 | H9 | 118.4° | 120.0° |
| H2 | C6 | C7 | H4 | 164.2° | 174.9° |
| H3 | C6 | C7 | H4 | 76.9° | 65.1° |
| H4 | C7 | C8 | H5 | 178.9° | 177.8° |
| H4 | C7 | C8 | H6 | 61.6° | 57.6° |
| H4 | C7 | C18 | H35 | 177.6° | 57.7° |
| H4 | C7 | C18 | H36 | 62.9° | 177.8° |
| H5 | C8 | C9 | H8 | 173.2° | 59.3° |
| H5 | C8 | C9 | H9 | 54.3° | 179.2° |
| H6 | C8 | C9 | H8 | 53.7° | 60.8° |
| H6 | C8 | C9 | H9 | 65.3° | 59.1° |
| H10 | C10 | C11 | H11 | 98.1° | 11.7° |
| H10 | C10 | C16 | H39 | 61.8° | 34.0° |
| H10 | C10 | C16 | H40 | 180.0° | 85.4° |
| H11 | C11 | C12 | H12 | 1.1° | 0.0° |
| H12 | C12 | C13 | H13 | 95.6° | 11.7° |
| H12 | C12 | C13 | H14 | 21.7° | 132.1° |
| H13 | C13 | C14 | H15 | 61.5° | 85.2° |
| H13 | C13 | C14 | H16 | 179.3° | 34.1° |
| H14 | C13 | C14 | H15 | 55.9° | 154.4° |
| H14 | C13 | C14 | H16 | 63.4° | 86.3° |
| H15 | C14 | C15 | H17 | 78.4° | 67.3° |
| H15 | C14 | C15 | H18 | 39.9° | 174.8° |
| H16 | C14 | C15 | H17 | 162.4° | 52.1° |
| H16 | C14 | C15 | H18 | 79.3° | 65.8° |
| H17 | C15 | C16 | H39 | 75.2° | 52.1° |
| H17 | C15 | C16 | H40 | 166.5° | 67.3° |
| H18 | C15 | C16 | H39 | 43.1° | 65.8° |
| H18 | C15 | C16 | H40 | 75.2° | 174.8° |
| H24 | C27 | H25 | H26 | 120.0° | 120.0° |
| H30 | C | H31 | H32 | 120.0° | 120.0° |
| H33 | C20 | C19 | H34 | 0.4° | 0.0° |
| H35 | C18 | C17 | H37 | 175.6° | 60.9° |
| H35 | C18 | C17 | H38 | 56.6° | 59.1° |
| H36 | C18 | C17 | H37 | 56.1° | 59.2° |
| H36 | C18 | C17 | H38 | 62.9° | 179.2° |
