A1EQJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | C33 | trip | 1.14Å | 1.17Å | |
| C33 | N29 | sing | 1.35Å | 1.38Å | |
| N29 | C28 | sing | 1.48Å | 1.52Å | |
| N29 | C30 | sing | 1.48Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C30 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C24 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.54Å | 1.55Å | |
| C26 | C25 | sing | 1.54Å | 1.54Å | |
| C25 | C31 | sing | 1.51Å | 1.48Å | |
| C31 | O32 | doub | 1.21Å | 1.22Å | |
| C31 | N23 | sing | 1.35Å | 1.37Å | |
| N23 | C21 | sing | 1.46Å | 1.45Å | |
| F7 | C6 | sing | 1.35Å | 1.34Å | |
| C22 | C21 | sing | 1.53Å | 1.60Å | |
| C22 | N17 | sing | 1.47Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C8 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C10 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| N17 | C10 | sing | 1.47Å | 1.59Å | |
| N17 | C18 | sing | 1.47Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C5 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C13 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.41Å | |
| C1 | N2 | sing | 1.40Å | 1.38Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C11 | N14 | sing | 1.34Å | 1.41Å | |
| N2 | C3 | sing | 1.46Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | 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 | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.08Å | 1.08Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| N14 | H31 | sing | 0.97Å | 1.00Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å | |
| N23 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N34 | C33 | N29 | 174.1° | 179.9° |
| C33 | N29 | C28 | 115.4° | 134.4° |
| C33 | N29 | C30 | 116.2° | 134.4° |
| C28 | N29 | C30 | 91.0° | 91.2° |
| N29 | C28 | C27 | 88.1° | 85.8° |
| N29 | C28 | H20 | 114.5° | 113.8° |
| N29 | C28 | H21 | 114.5° | 113.9° |
| N29 | C30 | C27 | 88.2° | 85.8° |
| N29 | C30 | H24 | 114.5° | 113.9° |
| N29 | C30 | H25 | 114.5° | 113.9° |
| C28 | C27 | C30 | 89.5° | 87.3° |
| C28 | C27 | C24 | 119.7° | 121.3° |
| C28 | C27 | C26 | 119.9° | 121.3° |
| C27 | C28 | H20 | 114.5° | 113.8° |
| C27 | C28 | H21 | 114.5° | 113.8° |
| C30 | C27 | C24 | 120.8° | 121.3° |
| C30 | C27 | C26 | 119.4° | 121.3° |
| C27 | C30 | H24 | 114.5° | 113.8° |
| C27 | C30 | H25 | 114.5° | 113.8° |
| C24 | C27 | C26 | 90.7° | 88.2° |
| C27 | C24 | C25 | 88.3° | 86.8° |
| C27 | C24 | H15 | 114.5° | 113.7° |
| C27 | C24 | H16 | 114.4° | 113.8° |
| C27 | C26 | C25 | 88.4° | 86.7° |
| C27 | C26 | H18 | 114.4° | 113.6° |
| C27 | C26 | H19 | 114.4° | 113.8° |
| C24 | C25 | C26 | 89.7° | 87.3° |
| C24 | C25 | C31 | 114.8° | 113.6° |
| C25 | C24 | H15 | 114.5° | 113.6° |
| C25 | C24 | H16 | 114.5° | 113.7° |
| C24 | C25 | H17 | 111.8° | 113.6° |
| C26 | C25 | C31 | 114.2° | 113.5° |
| C26 | C25 | H17 | 111.8° | 113.6° |
| C25 | C26 | H18 | 114.4° | 113.7° |
| C25 | C26 | H19 | 114.4° | 113.6° |
| C25 | C31 | O32 | 122.8° | 120.0° |
| C25 | C31 | N23 | 114.5° | 120.0° |
| C31 | C25 | H17 | 112.7° | 112.9° |
| O32 | C31 | N23 | 122.7° | 120.0° |
| C31 | N23 | C21 | 123.7° | 120.0° |
| C31 | N23 | H34 | 118.2° | 120.0° |
| N23 | C21 | C22 | 105.3° | 109.5° |
| N23 | C21 | C20 | 108.8° | 109.5° |
| N23 | C21 | H12 | 111.5° | 109.5° |
| C21 | N23 | H34 | 118.2° | 120.0° |
| F7 | C6 | C8 | 119.7° | 120.0° |
| F7 | C6 | C5 | 116.3° | 120.1° |
| C21 | C22 | N17 | 112.7° | 109.5° |
| C22 | C21 | C20 | 111.2° | 109.3° |
| C22 | C21 | H12 | 109.5° | 109.5° |
| C21 | C22 | H13 | 108.7° | 109.4° |
| C21 | C22 | H14 | 108.7° | 109.5° |
| C22 | N17 | C10 | 118.7° | 111.0° |
| C22 | N17 | C18 | 107.9° | 111.2° |
| N17 | C22 | H13 | 108.7° | 109.4° |
| N17 | C22 | H14 | 108.7° | 109.5° |
| C21 | C20 | C19 | 107.0° | 109.2° |
| C21 | C20 | H10 | 110.1° | 109.5° |
| C21 | C20 | H11 | 110.1° | 109.6° |
| C20 | C21 | H12 | 110.5° | 109.5° |
| C6 | C8 | C9 | 116.6° | 120.0° |
| C8 | C6 | C5 | 124.0° | 119.9° |
| C6 | C8 | H30 | 121.7° | 120.0° |
| C8 | C9 | C10 | 130.2° | 132.8° |
| C8 | C9 | C13 | 119.7° | 120.9° |
| C9 | C8 | H30 | 121.7° | 120.0° |
| C16 | C15 | C10 | 114.8° | 109.5° |
| C16 | C15 | H1 | 108.1° | 109.5° |
| C16 | C15 | H2 | 108.1° | 109.5° |
| C15 | C16 | H3 | 109.5° | 109.5° |
| C15 | C16 | H4 | 109.5° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.5° |
| C15 | C10 | C9 | 111.2° | 110.5° |
| C15 | C10 | N17 | 112.7° | 110.5° |
| C15 | C10 | C11 | 111.9° | 110.5° |
| C10 | C15 | H1 | 108.1° | 109.4° |
| C10 | C15 | H2 | 108.1° | 109.4° |
| C6 | C5 | C1 | 119.2° | 120.3° |
| C6 | C5 | H29 | 120.4° | 119.9° |
| C20 | C19 | C18 | 110.8° | 109.3° |
| C20 | C19 | H8 | 109.2° | 109.6° |
| C20 | C19 | H9 | 109.2° | 109.5° |
| C19 | C20 | H10 | 110.1° | 109.5° |
| C19 | C20 | H11 | 110.1° | 109.5° |
| C10 | C9 | C13 | 110.1° | 106.4° |
| C9 | C10 | N17 | 113.7° | 110.6° |
| C9 | C10 | C11 | 99.5° | 104.1° |
| C9 | C13 | C1 | 122.1° | 119.0° |
| C9 | C13 | N14 | 110.3° | 110.2° |
| C10 | N17 | C18 | 116.5° | 111.0° |
| N17 | C10 | C11 | 107.0° | 110.5° |
| N17 | C18 | C19 | 110.0° | 109.5° |
| N17 | C18 | H6 | 109.3° | 109.5° |
| N17 | C18 | H7 | 109.3° | 109.5° |
| C10 | C11 | O12 | 127.2° | 126.4° |
| C10 | C11 | N14 | 110.7° | 107.1° |
| C5 | C1 | C13 | 118.5° | 120.0° |
| C5 | C1 | N2 | 122.0° | 120.0° |
| C1 | C5 | H29 | 120.4° | 119.9° |
| C19 | C18 | H6 | 109.3° | 109.4° |
| C19 | C18 | H7 | 109.3° | 109.5° |
| C18 | C19 | H8 | 109.1° | 109.5° |
| C18 | C19 | H9 | 109.1° | 109.5° |
| C1 | C13 | N14 | 127.6° | 130.8° |
| C13 | C1 | N2 | 119.5° | 120.0° |
| C13 | N14 | C11 | 109.3° | 112.2° |
| C13 | N14 | H31 | 125.3° | 123.9° |
| C1 | N2 | C3 | 118.4° | 120.0° |
| C1 | N2 | H33 | 107.2° | 120.0° |
| O12 | C11 | N14 | 122.0° | 126.5° |
| C11 | N14 | H31 | 125.3° | 123.9° |
| N2 | C3 | C4 | 105.1° | 109.5° |
| N2 | C3 | H22 | 110.6° | 109.5° |
| N2 | C3 | H23 | 110.6° | 109.5° |
| C3 | N2 | H33 | 107.2° | 120.0° |
| C4 | C3 | H22 | 110.6° | 109.5° |
| C4 | C3 | H23 | 110.6° | 109.5° |
| C3 | C4 | H26 | 109.5° | 109.5° |
| C3 | C4 | H27 | 109.5° | 109.5° |
| C3 | C4 | H28 | 109.4° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C16 | H4 | 109.5° | 109.5° |
| H3 | C16 | H5 | 109.4° | 109.4° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.4° | 109.5° |
| H15 | C24 | H16 | 109.5° | 112.9° |
| H18 | C26 | H19 | 109.5° | 112.9° |
| H20 | C28 | H21 | 109.5° | 113.0° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 113.0° |
| H26 | C4 | H27 | 109.4° | 109.5° |
| H26 | C4 | H28 | 109.5° | 109.4° |
| H27 | C4 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N34 | C33 | N29 | C28 | 141.3° | 93.4° |
| N34 | C33 | N29 | C30 | 36.5° | 86.7° |
| C33 | N29 | C28 | C30 | 119.8° | 180.0° |
| C33 | N29 | C28 | C27 | 133.4° | 156.2° |
| C33 | N29 | C30 | C27 | 132.8° | 156.2° |
| C33 | N29 | C28 | H20 | 17.2° | 41.9° |
| C33 | N29 | C28 | H21 | 110.5° | 89.6° |
| C33 | N29 | C30 | H24 | 111.0° | 89.6° |
| C33 | N29 | C30 | H25 | 16.6° | 42.0° |
| N29 | C28 | C27 | H20 | 116.2° | 114.2° |
| N29 | C28 | C27 | H21 | 116.2° | 114.3° |
| C28 | N29 | C30 | C27 | 13.6° | 23.9° |
| N29 | C28 | C27 | C24 | 139.2° | 148.6° |
| N29 | C28 | C27 | C26 | 110.7° | 102.4° |
| N29 | C28 | H20 | H21 | 130.2° | 132.0° |
| C28 | N29 | C30 | H24 | 129.8° | 90.3° |
| C28 | N29 | C30 | H25 | 102.5° | 138.1° |
| N29 | C30 | C27 | H24 | 116.2° | 114.2° |
| N29 | C30 | C27 | H25 | 116.2° | 114.3° |
| N29 | C30 | C27 | C24 | 138.2° | 148.5° |
| N29 | C30 | C27 | C26 | 111.2° | 102.4° |
| C30 | N29 | C28 | H20 | 102.6° | 138.1° |
| C30 | N29 | C28 | H21 | 129.7° | 90.4° |
| N29 | C30 | H24 | H25 | 130.2° | 132.0° |
| C28 | C27 | C30 | C24 | 124.8° | 125.5° |
| C28 | C27 | C30 | C26 | 124.6° | 125.4° |
| C28 | C27 | C24 | C26 | 125.5° | 126.1° |
| C28 | C27 | C24 | C25 | 112.7° | 101.2° |
| C28 | C27 | C26 | C25 | 112.4° | 101.3° |
| C28 | C27 | C24 | H15 | 131.1° | 13.2° |
| C28 | C27 | C24 | H16 | 3.6° | 144.3° |
| C28 | C27 | C26 | H18 | 3.8° | 144.3° |
| C28 | C27 | C26 | H19 | 131.3° | 13.2° |
| C27 | C28 | H20 | H21 | 130.2° | 131.9° |
| C28 | C27 | C30 | H24 | 129.6° | 91.2° |
| C28 | C27 | C30 | H25 | 102.8° | 137.3° |
| C30 | C27 | C24 | C26 | 125.3° | 126.1° |
| C30 | C27 | C24 | C25 | 138.1° | 150.9° |
| C30 | C27 | C26 | C25 | 139.3° | 150.9° |
| C30 | C27 | C24 | H15 | 21.9° | 94.6° |
| C30 | C27 | C24 | H16 | 105.6° | 36.4° |
| C30 | C27 | C26 | H18 | 104.4° | 36.5° |
| C30 | C27 | C26 | H19 | 23.1° | 94.6° |
| C30 | C27 | C28 | H20 | 102.7° | 137.3° |
| C30 | C27 | C28 | H21 | 129.6° | 91.3° |
| C27 | C30 | H24 | H25 | 130.1° | 131.9° |
| C27 | C24 | C25 | H15 | 116.2° | 114.5° |
| C27 | C24 | C25 | H16 | 116.2° | 114.6° |
| C24 | C27 | C26 | C25 | 12.9° | 24.8° |
| C27 | C24 | C25 | C31 | 129.3° | 139.2° |
| C27 | C24 | H15 | H16 | 130.0° | 131.5° |
| C27 | C24 | C25 | H17 | 100.7° | 90.0° |
| C24 | C27 | C26 | H18 | 129.1° | 89.6° |
| C24 | C27 | C26 | H19 | 103.4° | 139.3° |
| C24 | C27 | C28 | H20 | 23.1° | 97.2° |
| C24 | C27 | C28 | H21 | 104.6° | 34.2° |
| C24 | C27 | C30 | H24 | 105.6° | 34.3° |
| C24 | C27 | C30 | H25 | 22.0° | 97.2° |
| C27 | C26 | C25 | H18 | 116.2° | 114.4° |
| C27 | C26 | C25 | H19 | 116.2° | 114.6° |
| C27 | C26 | C25 | C31 | 129.9° | 139.2° |
| C26 | C27 | C24 | H15 | 103.4° | 139.3° |
| C26 | C27 | C24 | H16 | 129.0° | 89.7° |
| C27 | C26 | C25 | H17 | 100.7° | 90.0° |
| C27 | C26 | H18 | H19 | 130.0° | 131.6° |
| C26 | C27 | C28 | H20 | 133.1° | 11.8° |
| C26 | C27 | C28 | H21 | 5.5° | 143.2° |
| C26 | C27 | C30 | H24 | 5.0° | 143.4° |
| C26 | C27 | C30 | H25 | 132.6° | 11.9° |
| C24 | C25 | C26 | C31 | 117.2° | 114.6° |
| C24 | C25 | C26 | H17 | 113.4° | 114.6° |
| C24 | C25 | C31 | H17 | 129.5° | 131.2° |
| C24 | C25 | C31 | O32 | 44.5° | 0.1° |
| C24 | C25 | C31 | N23 | 136.6° | 180.0° |
| C25 | C24 | H15 | H16 | 130.1° | 131.4° |
| C24 | C25 | C26 | H18 | 128.9° | 89.8° |
| C24 | C25 | C26 | H19 | 103.5° | 139.2° |
| C26 | C25 | C31 | H17 | 129.0° | 131.1° |
| C26 | C25 | C31 | O32 | 57.1° | 97.8° |
| C26 | C25 | C31 | N23 | 121.9° | 82.3° |
| C26 | C25 | C24 | H15 | 103.5° | 139.1° |
| C26 | C25 | C24 | H16 | 128.9° | 89.9° |
| C25 | C26 | H18 | H19 | 130.0° | 131.4° |
| C25 | C31 | O32 | N23 | 178.8° | 179.9° |
| C25 | C31 | N23 | C21 | 178.8° | 180.0° |
| C31 | C25 | C24 | H15 | 13.1° | 106.3° |
| C31 | C25 | C24 | H16 | 114.4° | 24.6° |
| C31 | C25 | C26 | H18 | 113.9° | 24.8° |
| C31 | C25 | C26 | H19 | 13.6° | 106.2° |
| C25 | C31 | N23 | H34 | 1.2° | 0.1° |
| O32 | C31 | N23 | C21 | 2.3° | 0.1° |
| O32 | C31 | C25 | H17 | 173.9° | 131.1° |
| O32 | C31 | N23 | H34 | 177.7° | 180.0° |
| C31 | N23 | C21 | H34 | 180.0° | 179.9° |
| C31 | N23 | C21 | C22 | 114.0° | 155.2° |
| C31 | N23 | C21 | C20 | 126.8° | 85.0° |
| C31 | N23 | C21 | H12 | 4.7° | 35.1° |
| N23 | C31 | C25 | H17 | 7.1° | 48.8° |
| N23 | C21 | C22 | C20 | 117.6° | 120.0° |
| N23 | C21 | C22 | H12 | 120.0° | 120.1° |
| N23 | C21 | C22 | N17 | 173.4° | 179.1° |
| N23 | C21 | C20 | H12 | 122.7° | 120.1° |
| N23 | C21 | C20 | C19 | 172.1° | 177.6° |
| N23 | C21 | C20 | H10 | 52.5° | 62.5° |
| N23 | C21 | C20 | H11 | 68.3° | 57.7° |
| N23 | C21 | C22 | H13 | 66.1° | 60.9° |
| N23 | C21 | C22 | H14 | 52.9° | 59.1° |
| F7 | C6 | C8 | C5 | 179.7° | 180.0° |
| F7 | C6 | C8 | C9 | 179.8° | 179.9° |
| F7 | C6 | C5 | C1 | 179.6° | 179.9° |
| F7 | C6 | C5 | H29 | 0.4° | 0.0° |
| F7 | C6 | C8 | H30 | 0.2° | 0.1° |
| C21 | C22 | N17 | H13 | 120.5° | 120.0° |
| C21 | C22 | N17 | H14 | 120.5° | 120.0° |
| C22 | C21 | C20 | H12 | 121.8° | 119.9° |
| C22 | C21 | C20 | C19 | 56.6° | 57.7° |
| C21 | C22 | N17 | C10 | 169.9° | 174.1° |
| C21 | C22 | N17 | C18 | 54.8° | 61.7° |
| C22 | C21 | C20 | H10 | 63.0° | 177.5° |
| C22 | C21 | C20 | H11 | 176.2° | 62.3° |
| C21 | C22 | H13 | H14 | 118.5° | 120.0° |
| C22 | C21 | N23 | H34 | 66.0° | 24.8° |
| N17 | C22 | C21 | C20 | 55.7° | 59.2° |
| C22 | N17 | C10 | C15 | 43.1° | 179.6° |
| C22 | N17 | C10 | C9 | 84.6° | 57.8° |
| C22 | N17 | C10 | C18 | 131.6° | 124.3° |
| C22 | N17 | C10 | C11 | 166.6° | 57.0° |
| C22 | N17 | C18 | C19 | 58.7° | 61.7° |
| C22 | N17 | C18 | H6 | 178.8° | 58.2° |
| C22 | N17 | C18 | H7 | 61.4° | 178.3° |
| N17 | C22 | C21 | H12 | 66.6° | 60.8° |
| N17 | C22 | H13 | H14 | 118.6° | 120.0° |
| C21 | C20 | C19 | H10 | 119.6° | 119.9° |
| C21 | C20 | C19 | H11 | 119.6° | 120.0° |
| C21 | C20 | C19 | C18 | 61.9° | 57.7° |
| C21 | C20 | C19 | H8 | 177.9° | 62.3° |
| C21 | C20 | C19 | H9 | 58.3° | 177.6° |
| C21 | C20 | H10 | H11 | 121.1° | 120.2° |
| C20 | C21 | C22 | H13 | 176.2° | 179.1° |
| C20 | C21 | C22 | H14 | 64.8° | 60.9° |
| C20 | C21 | N23 | H34 | 53.2° | 95.0° |
| C6 | C8 | C9 | H30 | 180.0° | 180.0° |
| C6 | C8 | C9 | C10 | 178.8° | 179.9° |
| C6 | C8 | C9 | C13 | 0.2° | 0.0° |
| C8 | C6 | C5 | C1 | 0.2° | 0.1° |
| C8 | C6 | C5 | H29 | 179.9° | 180.0° |
| C8 | C9 | C10 | C15 | 60.9° | 61.4° |
| C9 | C8 | C6 | C5 | 0.1° | 0.1° |
| C8 | C9 | C10 | C13 | 179.0° | 180.0° |
| C8 | C9 | C10 | N17 | 67.6° | 61.3° |
| C8 | C9 | C10 | C11 | 179.0° | 180.0° |
| C8 | C9 | C13 | C1 | 0.7° | 0.0° |
| C8 | C9 | C13 | N14 | 179.7° | 180.0° |
| C16 | C15 | C10 | H1 | 120.8° | 120.0° |
| C16 | C15 | C10 | H2 | 120.8° | 120.0° |
| C16 | C15 | C10 | C9 | 54.4° | 55.4° |
| C16 | C15 | C10 | N17 | 176.6° | 178.1° |
| C16 | C15 | C10 | C11 | 55.9° | 59.3° |
| C16 | C15 | H1 | H2 | 117.6° | 120.1° |
| C15 | C16 | H3 | H4 | 120.0° | 120.1° |
| C15 | C16 | H3 | H5 | 120.0° | 120.0° |
| C15 | C16 | H4 | H5 | 120.0° | 120.0° |
| C15 | C10 | C9 | N17 | 128.5° | 122.7° |
| C15 | C10 | C9 | C11 | 118.1° | 118.6° |
| C15 | C10 | C9 | C13 | 120.1° | 118.7° |
| C15 | C10 | N17 | C11 | 123.5° | 122.6° |
| C15 | C10 | N17 | C18 | 174.7° | 55.3° |
| C15 | C10 | C11 | O12 | 62.8° | 61.4° |
| C15 | C10 | C11 | N14 | 119.8° | 118.6° |
| C10 | C15 | H1 | H2 | 117.6° | 119.9° |
| C10 | C15 | C16 | H3 | 180.0° | 180.0° |
| C10 | C15 | C16 | H4 | 60.0° | 60.0° |
| C10 | C15 | C16 | H5 | 60.0° | 60.0° |
| C6 | C5 | C1 | H29 | 180.0° | 179.9° |
| C6 | C5 | C1 | C13 | 0.6° | 0.0° |
| C6 | C5 | C1 | N2 | 179.8° | 180.0° |
| C5 | C6 | C8 | H30 | 179.9° | 179.9° |
| C20 | C19 | C18 | N17 | 64.7° | 59.2° |
| C20 | C19 | C18 | H8 | 120.2° | 120.0° |
| C20 | C19 | C18 | H9 | 120.2° | 120.0° |
| C20 | C19 | C18 | H6 | 175.2° | 60.8° |
| C20 | C19 | C18 | H7 | 55.3° | 179.2° |
| C20 | C19 | H8 | H9 | 119.4° | 120.1° |
| C19 | C20 | H10 | H11 | 121.1° | 120.2° |
| C19 | C20 | C21 | H12 | 65.2° | 62.3° |
| C9 | C10 | N17 | C11 | 108.8° | 114.7° |
| C9 | C10 | N17 | C18 | 47.0° | 178.0° |
| C10 | C9 | C13 | C1 | 178.4° | 180.0° |
| C10 | C9 | C13 | N14 | 1.1° | 0.1° |
| C9 | C10 | C11 | O12 | 179.6° | 180.0° |
| C9 | C10 | C11 | N14 | 2.2° | 0.0° |
| C9 | C10 | C15 | H1 | 66.4° | 175.4° |
| C9 | C10 | C15 | H2 | 175.2° | 64.6° |
| C10 | C9 | C8 | H30 | 1.3° | 0.1° |
| C13 | C9 | C10 | N17 | 111.5° | 118.7° |
| C13 | C9 | C10 | C11 | 2.0° | 0.0° |
| C9 | C13 | C1 | C5 | 0.9° | 0.0° |
| C9 | C13 | C1 | N14 | 179.5° | 179.9° |
| C9 | C13 | C1 | N2 | 179.5° | 179.9° |
| C9 | C13 | N14 | C11 | 0.4° | 0.1° |
| C13 | C9 | C8 | H30 | 179.8° | 180.0° |
| C9 | C13 | N14 | H31 | 179.6° | 180.0° |
| C10 | N17 | C18 | C19 | 164.9° | 174.1° |
| N17 | C10 | C11 | O12 | 61.2° | 61.2° |
| N17 | C10 | C11 | N14 | 116.3° | 118.8° |
| N17 | C10 | C15 | H1 | 62.6° | 61.9° |
| N17 | C10 | C15 | H2 | 55.8° | 58.1° |
| C10 | N17 | C18 | H6 | 44.8° | 65.9° |
| C10 | N17 | C18 | H7 | 75.1° | 54.1° |
| C10 | N17 | C22 | H13 | 49.4° | 54.2° |
| C10 | N17 | C22 | H14 | 69.7° | 65.8° |
| C18 | N17 | C10 | C11 | 61.8° | 67.3° |
| N17 | C18 | C19 | H6 | 120.1° | 120.0° |
| N17 | C18 | C19 | H7 | 120.1° | 120.0° |
| N17 | C18 | H6 | H7 | 119.7° | 120.0° |
| N17 | C18 | C19 | H8 | 175.1° | 60.8° |
| N17 | C18 | C19 | H9 | 55.5° | 179.1° |
| C18 | N17 | C22 | H13 | 175.3° | 178.3° |
| C18 | N17 | C22 | H14 | 65.7° | 58.3° |
| C10 | C11 | N14 | C13 | 1.7° | 0.0° |
| C10 | C11 | O12 | N14 | 177.2° | 180.0° |
| C11 | C10 | C15 | H1 | 176.7° | 60.7° |
| C11 | C10 | C15 | H2 | 64.9° | 179.3° |
| C10 | C11 | N14 | H31 | 178.3° | 180.0° |
| C5 | C1 | C13 | N2 | 179.6° | 180.0° |
| C5 | C1 | C13 | N14 | 179.6° | 180.0° |
| C5 | C1 | N2 | C3 | 10.7° | 0.1° |
| C5 | C1 | N2 | H33 | 110.6° | 180.0° |
| C19 | C18 | H6 | H7 | 119.7° | 120.0° |
| C18 | C19 | H8 | H9 | 119.4° | 120.0° |
| C18 | C19 | C20 | H10 | 57.7° | 177.5° |
| C18 | C19 | C20 | H11 | 178.5° | 62.3° |
| C1 | C13 | N14 | C11 | 179.9° | 180.0° |
| C13 | C1 | N2 | C3 | 168.9° | 180.0° |
| C13 | C1 | C5 | H29 | 179.4° | 179.9° |
| C1 | C13 | N14 | H31 | 0.1° | 0.0° |
| C13 | C1 | N2 | H33 | 69.9° | 0.0° |
| N14 | C13 | C1 | N2 | 0.0° | 0.0° |
| C13 | N14 | C11 | O12 | 179.3° | 179.9° |
| C13 | N14 | C11 | H31 | 180.0° | 180.0° |
| C1 | N2 | C3 | H33 | 121.3° | 179.9° |
| C1 | N2 | C3 | C4 | 160.5° | 180.0° |
| C1 | N2 | C3 | H22 | 41.2° | 59.9° |
| C1 | N2 | C3 | H23 | 80.2° | 60.1° |
| N2 | C1 | C5 | H29 | 0.2° | 0.1° |
| O12 | C11 | N14 | H31 | 0.7° | 0.0° |
| N2 | C3 | C4 | H22 | 119.3° | 120.0° |
| N2 | C3 | C4 | H23 | 119.3° | 120.0° |
| N2 | C3 | H22 | H23 | 122.0° | 120.0° |
| N2 | C3 | C4 | H26 | 180.0° | 60.0° |
| N2 | C3 | C4 | H27 | 60.0° | 60.0° |
| N2 | C3 | C4 | H28 | 60.0° | 180.0° |
| C4 | C3 | H22 | H23 | 122.0° | 120.0° |
| C3 | C4 | H26 | H27 | 120.0° | 120.0° |
| C3 | C4 | H26 | H28 | 120.0° | 120.0° |
| C3 | C4 | H27 | H28 | 120.0° | 120.0° |
| C4 | C3 | N2 | H33 | 78.2° | 0.0° |
| H1 | C15 | C16 | H3 | 59.2° | 60.0° |
| H1 | C15 | C16 | H4 | 60.8° | NaN° |
| H1 | C15 | C16 | H5 | 179.2° | 60.0° |
| H2 | C15 | C16 | H3 | 59.2° | 60.1° |
| H2 | C15 | C16 | H4 | 179.3° | 59.9° |
| H2 | C15 | C16 | H5 | 60.7° | 179.9° |
| H3 | C16 | H4 | H5 | 119.9° | 120.0° |
| H6 | C18 | C19 | H8 | 55.0° | 179.2° |
| H6 | C18 | C19 | H9 | 64.6° | 59.1° |
| H7 | C18 | C19 | H8 | 64.8° | 59.2° |
| H7 | C18 | C19 | H9 | 175.5° | 60.8° |
| H8 | C19 | C20 | H10 | 62.5° | 57.6° |
| H8 | C19 | C20 | H11 | 58.3° | 177.7° |
| H9 | C19 | C20 | H10 | 177.9° | 62.5° |
| H9 | C19 | C20 | H11 | 61.4° | 57.6° |
| H10 | C20 | C21 | H12 | 175.2° | 57.6° |
| H11 | C20 | C21 | H12 | 54.4° | 177.8° |
| H12 | C21 | C22 | H13 | 53.9° | 59.2° |
| H12 | C21 | C22 | H14 | 172.9° | 179.2° |
| H12 | C21 | N23 | H34 | 175.3° | 144.9° |
| H15 | C24 | C25 | H17 | 143.1° | 24.5° |
| H16 | C24 | C25 | H17 | 15.5° | 155.4° |
| H17 | C25 | C26 | H18 | 15.5° | 155.6° |
| H17 | C25 | C26 | H19 | 143.1° | 24.6° |
| H22 | C3 | C4 | H26 | 60.7° | 60.0° |
| H22 | C3 | C4 | H27 | 179.3° | 180.0° |
| H22 | C3 | C4 | H28 | 59.3° | 60.0° |
| H22 | C3 | N2 | H33 | 162.5° | 120.0° |
| H23 | C3 | C4 | H26 | 60.7° | 180.0° |
| H23 | C3 | C4 | H27 | 59.3° | 60.0° |
| H23 | C3 | C4 | H28 | 179.3° | 60.0° |
| H23 | C3 | N2 | H33 | 41.1° | 120.0° |
| H26 | C4 | H27 | H28 | 120.0° | 119.9° |
