ILZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C3 | sing | 1.48Å | 1.44Å | |
| C3 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.35Å | Aromatic |
| N4 | C5 | doub | 1.30Å | 1.37Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.46Å | 1.42Å | |
| C5 | C13 | sing | 1.51Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.49Å | |
| C14 | N15 | sing | 1.46Å | 1.42Å | |
| N15 | C22 | sing | 1.35Å | 1.31Å | |
| C27 | C28 | sing | 1.54Å | 1.53Å | |
| C27 | N25 | sing | 1.48Å | 1.50Å | |
| O26 | C23 | doub | 1.22Å | 1.25Å | |
| C28 | C29 | sing | 1.54Å | 1.51Å | |
| O24 | C22 | doub | 1.22Å | 1.25Å | |
| C22 | C17 | sing | 1.47Å | 1.47Å | |
| C23 | N25 | sing | 1.35Å | 1.36Å | |
| C23 | C18 | sing | 1.48Å | 1.46Å | |
| N25 | C29 | sing | 1.48Å | 1.46Å | |
| C17 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | N16 | sing | 1.36Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| N16 | C21 | sing | 1.47Å | 1.41Å | |
| N16 | N20 | sing | 1.40Å | 1.28Å | Aromatic |
| C19 | N20 | doub | 1.31Å | 1.33Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| N15 | H22 | sing | 0.97Å | 1.00Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.0° | 120.2° |
| C10 | C11 | C12 | 121.8° | 120.2° |
| C11 | C10 | H1 | 120.0° | 119.9° |
| C10 | C11 | H2 | 119.1° | 119.9° |
| C10 | C9 | C8 | 118.8° | 120.1° |
| C9 | C10 | H1 | 120.0° | 119.8° |
| C10 | C9 | H18 | 120.6° | 119.9° |
| C11 | C12 | C7 | 117.5° | 119.9° |
| C12 | C11 | H2 | 119.1° | 119.9° |
| C11 | C12 | H19 | 121.2° | 120.1° |
| C9 | C8 | C7 | 122.1° | 119.9° |
| C9 | C8 | H17 | 119.0° | 120.0° |
| C8 | C9 | H18 | 120.6° | 120.0° |
| C12 | C7 | C8 | 119.6° | 119.7° |
| C12 | C7 | C3 | 121.2° | 120.2° |
| C7 | C12 | H19 | 121.2° | 120.1° |
| C8 | C7 | C3 | 119.2° | 120.1° |
| C7 | C8 | H17 | 118.9° | 120.1° |
| C7 | C3 | C2 | 123.3° | 126.1° |
| C7 | C3 | N4 | 125.0° | 126.1° |
| C2 | C3 | N4 | 111.6° | 107.7° |
| C3 | C2 | N1 | 106.3° | 106.7° |
| C3 | C2 | H13 | 126.9° | 126.7° |
| C3 | N4 | C5 | 103.0° | 109.2° |
| C2 | N1 | C5 | 107.6° | 107.4° |
| C2 | N1 | C6 | 126.0° | 126.3° |
| N1 | C2 | H13 | 126.8° | 126.6° |
| N4 | C5 | N1 | 111.5° | 109.0° |
| N4 | C5 | C13 | 129.5° | 125.5° |
| C5 | N1 | C6 | 126.3° | 126.3° |
| N1 | C5 | C13 | 118.9° | 125.5° |
| N1 | C6 | H14 | 109.5° | 109.5° |
| N1 | C6 | H15 | 109.5° | 109.5° |
| N1 | C6 | H16 | 109.4° | 109.5° |
| C5 | C13 | C14 | 118.7° | 109.5° |
| C5 | C13 | H3 | 107.1° | 109.4° |
| C5 | C13 | H4 | 107.1° | 109.4° |
| C13 | C14 | N15 | 114.7° | 109.5° |
| C14 | C13 | H3 | 107.1° | 109.5° |
| C14 | C13 | H4 | 107.1° | 109.5° |
| C13 | C14 | H20 | 108.2° | 109.5° |
| C13 | C14 | H21 | 108.2° | 109.5° |
| C14 | N15 | C22 | 115.1° | 120.0° |
| N15 | C14 | H20 | 108.2° | 109.5° |
| N15 | C14 | H21 | 108.1° | 109.5° |
| C14 | N15 | H22 | 122.4° | 120.0° |
| N15 | C22 | O24 | 118.4° | 120.0° |
| N15 | C22 | C17 | 120.5° | 120.0° |
| C22 | N15 | H22 | 122.5° | 120.0° |
| C28 | C27 | N25 | 87.0° | 86.1° |
| C27 | C28 | C29 | 90.4° | 86.3° |
| C28 | C27 | H9 | 114.7° | 113.8° |
| C28 | C27 | H10 | 114.7° | 113.8° |
| C27 | C28 | H11 | 114.0° | 113.8° |
| C27 | C28 | H12 | 114.0° | 113.8° |
| C27 | N25 | C23 | 122.6° | 134.4° |
| C27 | N25 | C29 | 93.3° | 91.0° |
| N25 | C27 | H9 | 114.8° | 113.8° |
| N25 | C27 | H10 | 114.7° | 113.7° |
| O26 | C23 | N25 | 121.6° | 120.1° |
| O26 | C23 | C18 | 120.9° | 119.9° |
| C28 | C29 | N25 | 89.0° | 86.1° |
| C29 | C28 | H11 | 114.0° | 113.7° |
| C29 | C28 | H12 | 114.0° | 113.7° |
| C28 | C29 | H23 | 114.3° | 113.8° |
| C28 | C29 | H24 | 114.3° | 113.8° |
| O24 | C22 | C17 | 121.1° | 120.0° |
| C22 | C17 | C18 | 134.0° | 126.5° |
| C22 | C17 | N16 | 119.3° | 126.6° |
| N25 | C23 | C18 | 117.5° | 120.0° |
| C23 | N25 | C29 | 125.1° | 134.5° |
| C23 | C18 | C17 | 131.2° | 126.5° |
| C23 | C18 | C19 | 124.9° | 126.4° |
| N25 | C29 | H23 | 114.3° | 113.8° |
| N25 | C29 | H24 | 114.3° | 113.8° |
| C18 | C17 | N16 | 106.6° | 107.0° |
| C17 | C18 | C19 | 103.9° | 107.2° |
| C17 | N16 | C21 | 127.2° | 125.9° |
| C17 | N16 | N20 | 111.9° | 108.2° |
| C18 | C19 | N20 | 110.6° | 108.5° |
| C18 | C19 | H5 | 124.7° | 125.7° |
| C21 | N16 | N20 | 120.9° | 125.9° |
| N16 | C21 | H6 | 109.5° | 109.4° |
| N16 | C21 | H7 | 109.5° | 109.5° |
| N16 | C21 | H8 | 109.5° | 109.5° |
| N16 | N20 | C19 | 107.0° | 109.2° |
| N20 | C19 | H5 | 124.7° | 125.8° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.4° | 109.4° |
| H6 | C21 | H8 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.5° | 113.1° |
| H11 | C28 | H12 | 109.4° | 113.0° |
| H14 | C6 | H15 | 109.5° | 109.4° |
| H14 | C6 | H16 | 109.5° | 109.5° |
| H15 | C6 | H16 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 113.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C11 | C12 | C7 | 3.4° | 0.0° |
| C11 | C10 | C9 | H18 | 180.0° | 180.0° |
| C10 | C11 | C12 | H19 | 176.6° | 179.9° |
| C9 | C10 | C11 | C12 | 2.9° | 0.0° |
| C10 | C9 | C8 | H18 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 2.3° | 0.0° |
| C9 | C10 | C11 | H2 | 177.1° | 180.0° |
| C10 | C9 | C8 | H17 | 177.7° | 180.0° |
| C11 | C12 | C7 | H19 | 180.0° | 179.9° |
| C11 | C12 | C7 | C8 | 1.2° | 0.0° |
| C11 | C12 | C7 | C3 | 178.7° | 180.0° |
| C12 | C11 | C10 | H1 | 177.1° | 179.7° |
| C9 | C8 | C7 | C12 | 1.6° | 0.0° |
| C9 | C8 | C7 | H17 | 180.0° | 180.0° |
| C9 | C8 | C7 | C3 | 178.5° | 180.0° |
| C8 | C9 | C10 | H1 | 180.0° | 179.7° |
| C12 | C7 | C8 | C3 | 179.9° | 180.0° |
| C12 | C7 | C3 | C2 | 6.5° | 0.1° |
| C12 | C7 | C3 | N4 | 178.3° | 180.0° |
| C7 | C12 | C11 | H2 | 176.6° | 180.0° |
| C12 | C7 | C8 | H17 | 178.3° | 180.0° |
| C8 | C7 | C3 | C2 | 173.6° | 180.0° |
| C8 | C7 | C3 | N4 | 1.5° | 0.0° |
| C7 | C8 | C9 | H18 | 177.7° | 180.0° |
| C8 | C7 | C12 | H19 | 178.8° | 179.9° |
| C7 | C3 | C2 | N4 | 175.7° | 180.0° |
| C7 | C3 | C2 | N1 | 174.5° | 180.0° |
| C7 | C3 | N4 | C5 | 174.0° | 180.0° |
| C7 | C3 | C2 | H13 | 5.5° | 0.1° |
| C3 | C7 | C8 | H17 | 1.5° | 0.0° |
| C3 | C7 | C12 | H19 | 1.3° | 0.1° |
| C3 | C2 | N1 | H13 | 180.0° | 179.9° |
| C2 | C3 | N4 | C5 | 1.6° | 0.0° |
| C3 | C2 | N1 | C5 | 0.3° | 0.0° |
| C3 | C2 | N1 | C6 | 177.6° | 179.8° |
| N4 | C3 | C2 | N1 | 1.2° | 0.0° |
| C3 | N4 | C5 | N1 | 1.4° | 0.0° |
| C3 | N4 | C5 | C13 | 175.0° | 179.8° |
| N4 | C3 | C2 | H13 | 178.8° | 179.9° |
| C2 | N1 | C5 | N4 | 0.7° | 0.0° |
| C2 | N1 | C5 | C6 | 177.3° | 179.7° |
| C2 | N1 | C5 | C13 | 176.1° | 179.7° |
| C2 | N1 | C6 | H14 | 180.0° | 89.7° |
| C2 | N1 | C6 | H15 | 60.0° | 30.3° |
| C2 | N1 | C6 | H16 | 60.0° | 150.3° |
| N4 | C5 | N1 | C13 | 176.8° | 179.8° |
| N4 | C5 | N1 | C6 | 176.6° | 179.7° |
| N4 | C5 | C13 | C14 | 44.8° | 90.3° |
| N4 | C5 | C13 | H3 | 76.5° | 29.7° |
| N4 | C5 | C13 | H4 | 166.1° | 149.7° |
| N1 | C5 | C13 | C14 | 131.3° | 90.0° |
| N1 | C5 | C13 | H3 | 107.3° | 150.0° |
| N1 | C5 | C13 | H4 | 10.1° | 30.0° |
| C5 | N1 | C2 | H13 | 179.7° | 179.9° |
| C5 | N1 | C6 | H14 | 3.2° | 90.0° |
| C5 | N1 | C6 | H15 | 116.8° | 150.0° |
| C5 | N1 | C6 | H16 | 123.2° | 30.0° |
| C6 | N1 | C5 | C13 | 6.6° | 0.0° |
| C6 | N1 | C2 | H13 | 2.4° | 0.4° |
| N1 | C6 | H14 | H15 | 120.0° | 120.0° |
| N1 | C6 | H14 | H16 | 120.0° | 120.1° |
| N1 | C6 | H15 | H16 | 120.0° | 120.0° |
| C5 | C13 | C14 | H3 | 121.3° | 120.0° |
| C5 | C13 | C14 | H4 | 121.3° | 120.0° |
| C5 | C13 | C14 | N15 | 154.9° | 180.0° |
| C5 | C13 | H3 | H4 | 115.8° | 119.9° |
| C5 | C13 | C14 | H20 | 34.2° | 60.0° |
| C5 | C13 | C14 | H21 | 84.3° | 60.0° |
| C13 | C14 | N15 | H20 | 120.8° | 120.0° |
| C13 | C14 | N15 | H21 | 120.8° | 120.0° |
| C13 | C14 | N15 | C22 | 114.2° | 180.0° |
| C14 | C13 | H3 | H4 | 115.8° | 120.1° |
| C13 | C14 | H20 | H21 | 117.7° | 120.0° |
| C13 | C14 | N15 | H22 | 65.7° | 0.0° |
| C14 | N15 | C22 | H22 | 180.0° | 180.0° |
| C14 | N15 | C22 | O24 | 1.0° | 5.3° |
| C14 | N15 | C22 | C17 | 179.6° | 174.7° |
| N15 | C14 | C13 | H3 | 83.7° | 60.0° |
| N15 | C14 | C13 | H4 | 33.6° | 60.0° |
| N15 | C14 | H20 | H21 | 117.6° | 120.0° |
| N15 | C22 | O24 | C17 | 178.7° | 180.0° |
| N15 | C22 | C17 | C18 | 21.3° | 92.8° |
| N15 | C22 | C17 | N16 | 161.4° | 86.9° |
| C22 | N15 | C14 | H20 | 125.0° | 60.0° |
| C22 | N15 | C14 | H21 | 6.5° | 60.0° |
| C28 | C27 | N25 | H9 | 115.9° | 114.3° |
| C28 | C27 | N25 | H10 | 115.9° | 114.3° |
| C27 | C28 | C29 | H11 | 116.6° | 114.4° |
| C27 | C28 | C29 | H12 | 116.6° | 114.4° |
| C28 | C27 | N25 | C23 | 131.9° | 155.3° |
| C28 | C27 | N25 | C29 | 4.1° | 24.6° |
| C28 | C27 | H9 | H10 | 130.7° | 131.8° |
| C27 | C28 | H11 | H12 | 129.0° | 131.7° |
| C27 | C28 | C29 | H23 | 112.2° | 90.7° |
| C27 | C28 | C29 | H24 | 120.5° | 137.9° |
| C27 | N25 | C23 | O26 | 18.8° | 0.1° |
| C27 | N25 | C23 | C29 | 122.2° | 179.9° |
| C27 | N25 | C23 | C18 | 162.9° | 180.0° |
| N25 | C27 | H9 | H10 | 130.7° | 131.7° |
| N25 | C27 | C28 | H11 | 120.7° | 137.9° |
| N25 | C27 | C28 | H12 | 112.7° | 90.8° |
| C27 | N25 | C29 | H23 | 112.2° | 89.7° |
| C27 | N25 | C29 | H24 | 120.5° | 138.9° |
| O26 | C23 | N25 | C18 | 178.3° | 179.9° |
| O26 | C23 | N25 | C29 | 141.0° | 180.0° |
| O26 | C23 | C18 | C17 | 23.3° | 0.1° |
| O26 | C23 | C18 | C19 | 154.4° | 180.0° |
| C28 | C29 | N25 | C23 | 130.3° | 155.3° |
| C28 | C29 | N25 | H23 | 116.4° | 114.3° |
| C28 | C29 | N25 | H24 | 116.3° | 114.3° |
| C29 | C28 | C27 | H9 | 120.0° | 137.9° |
| C29 | C28 | C27 | H10 | 112.0° | 90.6° |
| C29 | C28 | H11 | H12 | 129.1° | 131.6° |
| C28 | C29 | H23 | H24 | 129.7° | 131.8° |
| O24 | C22 | C17 | C18 | 157.4° | 87.2° |
| O24 | C22 | C17 | N16 | 19.9° | 93.1° |
| O24 | C22 | N15 | H22 | 179.1° | 174.7° |
| C22 | C17 | C18 | C23 | 6.5° | 0.3° |
| C22 | C17 | C18 | N16 | 177.6° | 179.7° |
| C22 | C17 | C18 | C19 | 175.5° | 179.8° |
| C22 | C17 | N16 | C21 | 0.3° | 0.3° |
| C22 | C17 | N16 | N20 | 177.0° | 179.8° |
| C17 | C22 | N15 | H22 | 0.4° | 5.3° |
| N25 | C23 | C18 | C17 | 158.4° | 180.0° |
| N25 | C23 | C18 | C19 | 24.0° | 0.1° |
| C23 | N25 | C27 | H9 | 16.0° | 41.0° |
| C23 | N25 | C27 | H10 | 112.1° | 90.4° |
| C23 | N25 | C29 | H23 | 113.4° | 90.4° |
| C23 | N25 | C29 | H24 | 13.9° | 41.0° |
| C18 | C23 | N25 | C29 | 40.7° | 0.1° |
| C23 | C18 | C17 | C19 | 178.0° | 179.9° |
| C23 | C18 | C17 | N16 | 176.0° | 179.9° |
| C23 | C18 | C19 | N20 | 175.6° | 179.9° |
| C23 | C18 | C19 | H5 | 4.4° | 0.1° |
| C29 | N25 | C27 | H9 | 120.1° | 138.9° |
| C29 | N25 | C27 | H10 | 111.8° | 89.7° |
| N25 | C29 | C28 | H11 | 120.7° | 138.0° |
| N25 | C29 | C28 | H12 | 112.5° | 90.8° |
| N25 | C29 | H23 | H24 | 129.7° | 131.7° |
| C18 | C17 | N16 | C21 | 178.3° | 180.0° |
| C18 | C17 | N16 | N20 | 1.0° | 0.0° |
| C17 | C18 | C19 | N20 | 2.6° | 0.0° |
| C17 | C18 | C19 | H5 | 177.5° | 180.0° |
| N16 | C17 | C18 | C19 | 2.0° | 0.0° |
| C17 | N16 | C21 | N20 | 177.1° | 180.0° |
| C17 | N16 | N20 | C19 | 0.7° | 0.0° |
| C17 | N16 | C21 | H6 | 177.1° | 94.8° |
| C17 | N16 | C21 | H7 | 57.1° | 145.3° |
| C17 | N16 | C21 | H8 | 62.9° | 25.2° |
| C18 | C19 | N20 | N16 | 2.0° | 0.0° |
| C18 | C19 | N20 | H5 | 180.0° | 180.0° |
| C21 | N16 | N20 | C19 | 176.8° | 180.0° |
| N16 | C21 | H6 | H7 | 120.0° | 120.0° |
| N16 | C21 | H6 | H8 | 120.0° | 120.0° |
| N16 | C21 | H7 | H8 | 120.0° | 120.0° |
| N16 | N20 | C19 | H5 | 178.0° | 180.0° |
| N20 | N16 | C21 | H6 | 0.0° | 85.3° |
| N20 | N16 | C21 | H7 | 120.0° | 34.7° |
| N20 | N16 | C21 | H8 | 120.0° | 154.8° |
| H1 | C10 | C11 | H2 | 2.9° | 0.3° |
| H1 | C10 | C9 | H18 | 0.0° | 0.3° |
| H2 | C11 | C12 | H19 | 3.5° | 0.1° |
| H3 | C13 | C14 | H20 | 155.5° | 180.0° |
| H3 | C13 | C14 | H21 | 37.0° | 60.0° |
| H4 | C13 | C14 | H20 | 87.1° | 60.0° |
| H4 | C13 | C14 | H21 | 154.4° | 180.0° |
| H6 | C21 | H7 | H8 | 120.0° | 120.0° |
| H9 | C27 | C28 | H11 | 123.4° | 107.8° |
| H9 | C27 | C28 | H12 | 3.3° | 23.6° |
| H10 | C27 | C28 | H11 | 4.7° | 23.7° |
| H10 | C27 | C28 | H12 | 131.4° | 155.0° |
| H11 | C28 | C29 | H23 | 4.4° | 23.7° |
| H11 | C28 | C29 | H24 | 122.9° | 107.8° |
| H12 | C28 | C29 | H23 | 131.1° | 154.9° |
| H12 | C28 | C29 | H24 | 3.8° | 23.5° |
| H14 | C6 | H15 | H16 | 120.0° | 120.0° |
| H17 | C8 | C9 | H18 | 2.3° | 0.0° |
| H20 | C14 | N15 | H22 | 55.0° | 120.0° |
| H21 | C14 | N15 | H22 | 173.5° | 120.0° |
