IZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | sing | 1.40Å | 1.34Å | |
| N1 | C21 | sing | 1.47Å | 1.43Å | |
| N1 | C24 | sing | 1.48Å | 1.39Å | |
| C2 | C10 | sing | 1.51Å | 1.48Å | |
| C2 | N17 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N18 | doub | 1.31Å | 1.32Å | Aromatic |
| C3 | N4 | doub | 1.31Å | 1.37Å | Aromatic |
| C3 | N7 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.49Å | |
| N4 | C5 | sing | 1.34Å | 1.41Å | Aromatic |
| C5 | N6 | doub | 1.31Å | 1.30Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.36Å | Aromatic |
| N7 | C8 | sing | 1.46Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| N11 | C12 | sing | 1.33Å | 1.31Å | Aromatic |
| N11 | C14 | doub | 1.31Å | 1.25Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.32Å | Aromatic |
| C13 | C16 | sing | 1.41Å | 1.36Å | Aromatic |
| C13 | C19 | sing | 1.51Å | 1.54Å | |
| C14 | N15 | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | C20 | sing | 1.51Å | 1.50Å | |
| N15 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
| N15 | N18 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | N17 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | C22 | sing | 1.54Å | 1.49Å | |
| C21 | C25 | sing | 1.53Å | 1.67Å | |
| C22 | C23 | sing | 1.55Å | 1.45Å | |
| C23 | C24 | sing | 1.55Å | 1.48Å | |
| C25 | F26 | sing | 1.40Å | 1.33Å | |
| C25 | F27 | sing | 1.40Å | 1.32Å | |
| C25 | F28 | sing | 1.40Å | 1.26Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C20 | H42 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N1 | C21 | 122.2° | 111.0° |
| C5 | N1 | C24 | 122.2° | 111.0° |
| N1 | C5 | N4 | 118.7° | 125.6° |
| N1 | C5 | N6 | 123.5° | 125.7° |
| C21 | N1 | C24 | 111.9° | 108.6° |
| N1 | C21 | C22 | 105.1° | 107.2° |
| N1 | C21 | C25 | 108.4° | 109.9° |
| N1 | C21 | H43 | 113.5° | 110.0° |
| N1 | C24 | C23 | 103.9° | 104.8° |
| N1 | C24 | H48 | 110.8° | 110.4° |
| N1 | C24 | H49 | 110.9° | 110.4° |
| C10 | C2 | N17 | 121.2° | 125.2° |
| C10 | C2 | N18 | 122.1° | 125.2° |
| C2 | C10 | C9 | 108.6° | 109.4° |
| C2 | C10 | H34 | 109.7° | 109.5° |
| C2 | C10 | H35 | 109.7° | 109.5° |
| N17 | C2 | N18 | 116.4° | 109.6° |
| C2 | N17 | C16 | 105.8° | 109.7° |
| C2 | N18 | N15 | 99.9° | 107.1° |
| N4 | C3 | N7 | 109.7° | 108.2° |
| N4 | C3 | C9 | 125.6° | 125.9° |
| C3 | N4 | C5 | 99.5° | 109.7° |
| N7 | C3 | C9 | 124.7° | 125.9° |
| C3 | N7 | N6 | 110.9° | 106.4° |
| C3 | N7 | C8 | 127.3° | 126.7° |
| C3 | C9 | C10 | 110.2° | 109.5° |
| C3 | C9 | H32 | 109.3° | 109.5° |
| C3 | C9 | H33 | 109.3° | 109.5° |
| N4 | C5 | N6 | 117.8° | 108.8° |
| C5 | N6 | N7 | 102.1° | 106.8° |
| N6 | N7 | C8 | 121.7° | 126.8° |
| N7 | C8 | H30 | 109.5° | 109.5° |
| N7 | C8 | H29 | 109.5° | 109.5° |
| N7 | C8 | H31 | 109.5° | 109.5° |
| C9 | C10 | H34 | 109.7° | 109.4° |
| C9 | C10 | H35 | 109.7° | 109.5° |
| C10 | C9 | H32 | 109.3° | 109.4° |
| C10 | C9 | H33 | 109.3° | 109.5° |
| C12 | N11 | C14 | 119.5° | 121.9° |
| N11 | C12 | C13 | 126.1° | 120.4° |
| N11 | C12 | H36 | 116.9° | 119.8° |
| N11 | C14 | N15 | 120.8° | 121.0° |
| N11 | C14 | C20 | 118.9° | 119.5° |
| C12 | C13 | C16 | 115.9° | 118.4° |
| C12 | C13 | C19 | 121.5° | 120.8° |
| C13 | C12 | H36 | 116.9° | 119.8° |
| C16 | C13 | C19 | 122.6° | 120.8° |
| C13 | C16 | N15 | 118.8° | 118.5° |
| C13 | C16 | N17 | 134.3° | 134.1° |
| C13 | C19 | H38 | 109.5° | 109.5° |
| C13 | C19 | H37 | 109.5° | 109.5° |
| C13 | C19 | H39 | 109.5° | 109.5° |
| N15 | C14 | C20 | 120.3° | 119.5° |
| C14 | N15 | C16 | 118.7° | 119.7° |
| C14 | N15 | N18 | 130.3° | 134.2° |
| C14 | C20 | H41 | 109.5° | 109.5° |
| C14 | C20 | H42 | 109.4° | 109.5° |
| C14 | C20 | H40 | 109.4° | 109.4° |
| C16 | N15 | N18 | 111.0° | 106.1° |
| N15 | C16 | N17 | 106.8° | 107.5° |
| C22 | C21 | C25 | 107.2° | 109.9° |
| C21 | C22 | C23 | 103.7° | 103.0° |
| C22 | C21 | H43 | 112.5° | 109.9° |
| C21 | C22 | H45 | 110.9° | 110.7° |
| C21 | C22 | H44 | 110.9° | 110.7° |
| C21 | C25 | F26 | 108.7° | 109.4° |
| C21 | C25 | F27 | 114.9° | 109.4° |
| C21 | C25 | F28 | 113.5° | 109.5° |
| C25 | C21 | H43 | 110.0° | 109.9° |
| C22 | C23 | C24 | 106.1° | 101.7° |
| C23 | C22 | H45 | 110.9° | 110.7° |
| C23 | C22 | H44 | 110.9° | 110.7° |
| C22 | C23 | H47 | 110.3° | 111.0° |
| C22 | C23 | H46 | 110.3° | 111.0° |
| C24 | C23 | H47 | 110.3° | 111.0° |
| C24 | C23 | H46 | 110.3° | 111.0° |
| C23 | C24 | H48 | 110.8° | 110.4° |
| C23 | C24 | H49 | 110.8° | 110.4° |
| F26 | C25 | F27 | 106.9° | 109.5° |
| F26 | C25 | F28 | 108.9° | 109.5° |
| F27 | C25 | F28 | 103.5° | 109.5° |
| H34 | C10 | H35 | 109.5° | 109.5° |
| H38 | C19 | H37 | 109.5° | 109.5° |
| H38 | C19 | H39 | 109.5° | 109.5° |
| H37 | C19 | H39 | 109.5° | 109.5° |
| H41 | C20 | H42 | 109.5° | 109.5° |
| H41 | C20 | H40 | 109.5° | 109.4° |
| H42 | C20 | H40 | 109.5° | 109.5° |
| H45 | C22 | H44 | 109.5° | 110.8° |
| H47 | C23 | H46 | 109.5° | 110.9° |
| H48 | C24 | H49 | 109.5° | 110.3° |
| H30 | C8 | H29 | 109.5° | 109.4° |
| H30 | C8 | H31 | 109.5° | 109.5° |
| H29 | C8 | H31 | 109.4° | 109.4° |
| H32 | C9 | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N1 | C21 | C24 | 158.8° | 122.3° |
| N1 | C5 | N4 | C3 | 176.0° | 180.0° |
| N1 | C5 | N4 | N6 | 178.2° | 180.0° |
| N1 | C5 | N6 | N7 | 175.5° | 179.9° |
| C5 | N1 | C21 | C22 | 154.2° | 121.3° |
| C5 | N1 | C21 | C25 | 91.5° | 119.3° |
| C5 | N1 | C24 | C23 | 172.9° | 98.2° |
| C5 | N1 | C21 | H43 | 30.9° | 1.8° |
| C5 | N1 | C24 | H48 | 68.0° | 20.7° |
| C5 | N1 | C24 | H49 | 53.8° | 143.0° |
| C21 | N1 | C5 | N4 | 175.1° | 180.0° |
| C21 | N1 | C5 | N6 | 6.9° | 0.0° |
| N1 | C21 | C22 | C25 | 115.1° | 119.4° |
| N1 | C21 | C22 | H43 | 123.9° | 119.5° |
| N1 | C21 | C25 | H43 | 124.5° | 121.2° |
| N1 | C21 | C22 | C23 | 21.8° | 22.3° |
| C21 | N1 | C24 | C23 | 14.1° | 24.1° |
| N1 | C21 | C25 | F26 | 179.4° | 179.2° |
| N1 | C21 | C25 | F27 | 59.6° | 60.8° |
| N1 | C21 | C25 | F28 | 59.3° | 59.2° |
| N1 | C21 | C22 | H45 | 97.3° | 140.6° |
| N1 | C21 | C22 | H44 | 140.9° | 96.1° |
| C21 | N1 | C24 | H48 | 133.2° | 143.0° |
| C21 | N1 | C24 | H49 | 105.0° | 94.8° |
| C24 | N1 | C5 | N4 | 18.5° | 59.2° |
| C24 | N1 | C5 | N6 | 163.5° | 120.8° |
| C24 | N1 | C21 | C22 | 4.6° | 1.0° |
| C24 | N1 | C21 | C25 | 109.7° | 118.4° |
| N1 | C24 | C23 | C22 | 28.0° | 37.1° |
| N1 | C24 | C23 | H48 | 119.1° | 118.9° |
| N1 | C24 | C23 | H49 | 119.1° | 118.9° |
| C24 | N1 | C21 | H43 | 127.8° | 120.5° |
| N1 | C24 | C23 | H47 | 147.5° | 81.1° |
| N1 | C24 | C23 | H46 | 91.5° | 155.2° |
| N1 | C24 | H48 | H49 | 122.6° | 122.3° |
| C10 | C2 | N17 | N18 | 174.4° | 179.5° |
| C2 | C10 | C9 | C3 | 179.6° | 180.0° |
| C2 | C10 | C9 | H34 | 119.9° | 120.0° |
| C2 | C10 | C9 | H35 | 119.9° | 120.0° |
| C10 | C2 | N18 | N15 | 172.7° | 179.7° |
| C10 | C2 | N17 | C16 | 171.8° | 179.9° |
| C2 | C10 | H34 | H35 | 120.4° | 120.1° |
| C2 | C10 | C9 | H32 | 59.5° | 60.0° |
| C2 | C10 | C9 | H33 | 60.2° | 60.0° |
| N17 | C2 | C10 | C9 | 96.8° | 90.0° |
| C2 | N17 | C16 | C13 | 174.7° | 180.0° |
| C2 | N17 | C16 | N15 | 2.3° | 0.1° |
| N17 | C2 | N18 | N15 | 1.7° | 0.7° |
| N17 | C2 | C10 | H34 | 143.3° | 150.1° |
| N17 | C2 | C10 | H35 | 23.1° | 30.0° |
| N18 | C2 | C10 | C9 | 89.1° | 89.5° |
| C2 | N18 | N15 | C14 | 179.7° | 179.8° |
| C2 | N18 | N15 | C16 | 0.1° | 0.7° |
| N18 | C2 | N17 | C16 | 2.7° | 0.5° |
| N18 | C2 | C10 | H34 | 30.8° | 30.4° |
| N18 | C2 | C10 | H35 | 151.0° | 150.5° |
| N4 | C3 | N7 | C9 | 177.9° | 179.8° |
| C3 | N4 | C5 | N6 | 2.2° | 0.0° |
| N4 | C3 | N7 | N6 | 0.6° | 0.1° |
| N4 | C3 | N7 | C8 | 174.6° | 180.0° |
| N4 | C3 | C9 | C10 | 60.2° | 90.0° |
| N4 | C3 | C9 | H32 | 60.0° | 30.0° |
| N4 | C3 | C9 | H33 | 179.7° | 150.0° |
| N7 | C3 | N4 | C5 | 0.8° | 0.0° |
| C3 | N7 | N6 | C5 | 1.8° | 0.1° |
| C3 | N7 | N6 | C8 | 175.5° | 180.0° |
| N7 | C3 | C9 | C10 | 122.2° | 90.3° |
| C3 | N7 | C8 | H30 | 174.7° | 90.1° |
| C3 | N7 | C8 | H29 | 65.3° | 150.0° |
| C3 | N7 | C8 | H31 | 54.7° | 30.0° |
| N7 | C3 | C9 | H32 | 117.6° | 149.8° |
| N7 | C3 | C9 | H33 | 2.1° | 29.8° |
| C9 | C3 | N4 | C5 | 177.1° | 179.7° |
| C9 | C3 | N7 | N6 | 178.5° | 179.7° |
| C9 | C3 | N7 | C8 | 3.4° | 0.2° |
| C3 | C9 | C10 | H32 | 120.1° | 120.0° |
| C3 | C9 | C10 | H33 | 120.1° | 120.0° |
| C3 | C9 | C10 | H34 | 59.8° | 60.0° |
| C3 | C9 | C10 | H35 | 60.5° | 60.0° |
| C3 | C9 | H32 | H33 | 119.7° | 120.0° |
| N4 | C5 | N6 | N7 | 2.6° | 0.0° |
| C5 | N6 | N7 | C8 | 173.7° | 180.0° |
| N6 | N7 | C8 | H30 | 0.0° | 90.0° |
| N6 | N7 | C8 | H29 | 120.0° | 30.0° |
| N6 | N7 | C8 | H31 | 120.0° | 149.9° |
| N7 | C8 | H30 | H29 | 120.0° | 120.0° |
| N7 | C8 | H30 | H31 | 120.0° | 120.1° |
| N7 | C8 | H29 | H31 | 120.0° | 120.0° |
| C9 | C10 | H34 | H35 | 120.4° | 120.0° |
| C10 | C9 | H32 | H33 | 119.6° | 120.0° |
| N11 | C12 | C13 | H36 | 180.0° | 179.9° |
| N11 | C12 | C13 | C16 | 0.1° | 0.0° |
| N11 | C12 | C13 | C19 | 178.1° | 179.8° |
| C12 | N11 | C14 | N15 | 1.9° | 0.9° |
| C12 | N11 | C14 | C20 | 177.9° | 180.0° |
| C14 | N11 | C12 | C13 | 2.7° | 0.6° |
| N11 | C14 | N15 | C20 | 179.8° | 179.1° |
| N11 | C14 | N15 | C16 | 1.5° | 0.6° |
| N11 | C14 | N15 | N18 | 179.0° | 180.0° |
| N11 | C14 | C20 | H41 | 0.0° | 0.1° |
| N11 | C14 | C20 | H42 | 120.0° | 119.9° |
| N11 | C14 | C20 | H40 | 120.0° | 120.1° |
| C14 | N11 | C12 | H36 | 177.3° | 179.3° |
| C12 | C13 | C16 | C19 | 178.0° | 179.7° |
| C12 | C13 | C16 | N15 | 3.6° | 0.3° |
| C12 | C13 | C16 | N17 | 179.7° | 179.8° |
| C12 | C13 | C19 | H38 | 88.9° | 89.7° |
| C12 | C13 | C19 | H37 | 151.0° | 30.3° |
| C12 | C13 | C19 | H39 | 31.0° | 150.3° |
| C13 | C16 | N15 | C14 | 4.3° | 0.1° |
| C13 | C16 | N15 | N17 | 177.5° | 179.9° |
| C13 | C16 | N15 | N18 | 176.1° | 179.5° |
| C16 | C13 | C19 | H38 | 88.9° | 90.0° |
| C16 | C13 | C19 | H37 | 31.1° | 150.0° |
| C16 | C13 | C19 | H39 | 151.1° | 30.0° |
| C16 | C13 | C12 | H36 | 179.9° | 179.9° |
| C19 | C13 | C16 | N15 | 178.5° | 180.0° |
| C19 | C13 | C16 | N17 | 1.8° | 0.1° |
| C13 | C19 | H38 | H37 | 120.0° | 120.0° |
| C13 | C19 | H38 | H39 | 120.0° | 120.0° |
| C13 | C19 | H37 | H39 | 120.0° | 120.0° |
| C19 | C13 | C12 | H36 | 1.9° | 0.3° |
| C14 | N15 | C16 | N18 | 179.6° | 179.6° |
| C14 | N15 | C16 | N17 | 178.2° | 180.0° |
| N15 | C14 | C20 | H41 | 179.8° | 179.2° |
| N15 | C14 | C20 | H42 | 59.8° | 59.2° |
| N15 | C14 | C20 | H40 | 60.2° | 60.8° |
| C20 | C14 | N15 | C16 | 178.7° | 179.7° |
| C20 | C14 | N15 | N18 | 0.9° | 0.9° |
| C14 | C20 | H41 | H42 | 120.0° | 120.1° |
| C14 | C20 | H41 | H40 | 120.0° | 119.9° |
| C14 | C20 | H42 | H40 | 120.0° | 120.0° |
| N18 | N15 | C16 | N17 | 1.5° | 0.4° |
| C22 | C21 | C25 | H43 | 122.5° | 121.0° |
| C21 | C22 | C23 | H45 | 119.1° | 118.4° |
| C21 | C22 | C23 | H44 | 119.1° | 118.4° |
| C21 | C22 | C23 | C24 | 30.6° | 35.6° |
| C22 | C21 | C25 | F26 | 66.5° | 61.5° |
| C22 | C21 | C25 | F27 | 53.3° | 178.6° |
| C22 | C21 | C25 | F28 | 172.2° | 58.6° |
| C21 | C22 | H45 | H44 | 122.7° | 123.2° |
| C21 | C22 | C23 | H47 | 150.1° | 82.5° |
| C21 | C22 | C23 | H46 | 88.8° | 153.7° |
| C25 | C21 | C22 | C23 | 93.3° | 141.7° |
| C21 | C25 | F26 | F27 | 124.7° | 119.9° |
| C21 | C25 | F26 | F28 | 124.1° | 120.0° |
| C21 | C25 | F27 | F28 | 124.3° | 120.0° |
| C25 | C21 | C22 | H45 | 147.6° | 99.9° |
| C25 | C21 | C22 | H44 | 25.7° | 23.4° |
| C22 | C23 | C24 | H47 | 119.5° | 118.1° |
| C22 | C23 | C24 | H46 | 119.5° | 118.1° |
| C23 | C22 | C21 | H43 | 145.7° | 97.3° |
| C23 | C22 | H45 | H44 | 122.7° | 123.2° |
| C22 | C23 | H47 | H46 | 121.6° | 123.9° |
| C22 | C23 | C24 | H48 | 147.1° | 155.9° |
| C22 | C23 | C24 | H49 | 91.1° | 81.8° |
| C24 | C23 | C22 | H45 | 88.5° | 154.0° |
| C24 | C23 | C22 | H44 | 149.7° | 82.7° |
| C24 | C23 | H47 | H46 | 121.5° | 123.8° |
| C23 | C24 | H48 | H49 | 122.6° | 122.3° |
| F26 | C25 | F27 | F28 | 114.9° | 120.0° |
| F26 | C25 | C21 | H43 | 56.1° | 59.6° |
| F27 | C25 | C21 | H43 | 175.9° | 60.4° |
| F28 | C25 | C21 | H43 | 65.2° | 179.6° |
| H34 | C10 | C9 | H32 | 60.3° | 180.0° |
| H34 | C10 | C9 | H33 | 179.9° | 60.0° |
| H35 | C10 | C9 | H32 | 179.4° | 60.0° |
| H35 | C10 | C9 | H33 | 59.7° | 180.0° |
| H38 | C19 | H37 | H39 | 120.0° | 120.0° |
| H41 | C20 | H42 | H40 | 120.0° | 120.0° |
| H43 | C21 | C22 | H45 | 26.6° | 21.1° |
| H43 | C21 | C22 | H44 | 95.3° | 144.4° |
| H45 | C22 | C23 | H47 | 31.0° | 35.9° |
| H45 | C22 | C23 | H46 | 152.1° | 87.9° |
| H44 | C22 | C23 | H47 | 90.9° | 159.2° |
| H44 | C22 | C23 | H46 | 30.2° | 35.4° |
| H47 | C23 | C24 | H48 | 93.4° | 37.8° |
| H47 | C23 | C24 | H49 | 28.4° | 160.1° |
| H46 | C23 | C24 | H48 | 27.6° | 85.9° |
| H46 | C23 | C24 | H49 | 149.4° | 36.3° |
| H30 | C8 | H29 | H31 | 120.0° | 120.0° |
