N9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| N19 | C18 | trip | 1.14Å | 1.16Å | |
| C18 | C17 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | N9 | sing | 1.47Å | 1.48Å | |
| N9 | C8 | sing | 1.38Å | 1.41Å | |
| C17 | C16 | sing | 1.51Å | 1.48Å | |
| N15 | C16 | doub | 1.31Å | 1.35Å | Aromatic |
| N15 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C8 | C14 | doub | 1.46Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C22 | sing | 1.42Å | 1.41Å | Aromatic |
| N7 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C20 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C24 | N25 | doub | 1.31Å | 1.34Å | Aromatic |
| C24 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| N25 | N2 | sing | 1.40Å | 1.34Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C22 | N23 | doub | 1.34Å | 1.35Å | Aromatic |
| C6 | N23 | sing | 1.32Å | 1.35Å | Aromatic |
| C6 | N5 | sing | 1.38Å | 1.39Å | |
| C4 | N5 | sing | 1.41Å | 1.36Å | |
| C4 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.45Å | |
| N2 | C3 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N9 | H16 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C12 | C13 | 60.4° | 60.0° |
| C12 | C10 | C11 | 117.1° | 117.5° |
| C12 | C10 | C13 | 59.1° | 60.0° |
| C12 | C10 | N9 | 117.5° | 117.5° |
| C10 | C12 | H8 | 119.9° | 117.5° |
| C10 | C12 | H9 | 119.9° | 117.5° |
| C12 | C13 | C10 | 60.6° | 60.0° |
| C13 | C12 | H8 | 119.9° | 117.5° |
| C13 | C12 | H9 | 120.0° | 117.5° |
| C12 | C13 | H10 | 119.9° | 117.5° |
| C12 | C13 | H11 | 119.9° | 117.4° |
| N19 | C18 | C17 | 179.5° | 180.0° |
| C18 | C17 | C16 | 112.8° | 109.5° |
| C18 | C17 | H17 | 108.6° | 109.4° |
| C18 | C17 | H18 | 108.6° | 109.5° |
| C11 | C10 | C13 | 116.7° | 117.5° |
| C11 | C10 | N9 | 114.7° | 115.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.4° | 109.4° |
| C13 | C10 | N9 | 120.7° | 117.5° |
| C10 | C13 | H10 | 119.9° | 117.5° |
| C10 | C13 | H11 | 119.9° | 117.5° |
| C10 | N9 | C8 | 119.4° | 120.0° |
| C10 | N9 | H16 | 106.9° | 120.0° |
| N9 | C8 | C14 | 117.9° | 121.1° |
| N9 | C8 | N7 | 121.0° | 121.1° |
| C8 | N9 | H16 | 106.9° | 120.0° |
| C17 | C16 | N15 | 117.2° | 119.2° |
| C17 | C16 | C20 | 119.6° | 119.2° |
| C16 | C17 | H17 | 108.6° | 109.5° |
| C16 | C17 | H18 | 108.6° | 109.5° |
| C16 | N15 | C14 | 118.3° | 121.2° |
| N15 | C16 | C20 | 123.2° | 121.6° |
| N15 | C14 | C8 | 121.5° | 122.1° |
| N15 | C14 | C22 | 122.8° | 120.3° |
| C14 | C8 | N7 | 121.2° | 117.8° |
| C8 | C14 | C22 | 115.7° | 117.6° |
| C8 | N7 | C6 | 119.7° | 121.4° |
| C16 | C20 | C21 | 117.6° | 120.0° |
| C16 | C20 | H12 | 121.2° | 119.9° |
| C14 | C22 | C21 | 116.6° | 118.9° |
| C14 | C22 | N23 | 123.2° | 118.9° |
| N7 | C6 | N23 | 123.2° | 123.3° |
| N7 | C6 | N5 | 118.5° | 118.3° |
| C20 | C21 | C22 | 121.4° | 118.0° |
| C21 | C20 | H12 | 121.2° | 120.0° |
| C20 | C21 | H13 | 119.3° | 121.0° |
| N25 | C24 | C4 | 111.2° | 108.4° |
| C24 | N25 | N2 | 103.8° | 108.4° |
| N25 | C24 | H14 | 124.4° | 125.8° |
| C24 | C4 | N5 | 130.3° | 126.1° |
| C24 | C4 | C3 | 105.8° | 107.8° |
| C4 | C24 | H14 | 124.4° | 125.8° |
| N25 | N2 | C1 | 121.9° | 126.1° |
| N25 | N2 | C3 | 114.1° | 107.9° |
| C21 | C22 | N23 | 120.2° | 122.2° |
| C22 | C21 | H13 | 119.3° | 121.0° |
| C22 | N23 | C6 | 117.0° | 121.0° |
| N23 | C6 | N5 | 118.3° | 118.4° |
| C6 | N5 | C4 | 126.0° | 120.0° |
| C6 | N5 | H15 | 117.0° | 120.0° |
| N5 | C4 | C3 | 123.9° | 126.1° |
| C4 | N5 | H15 | 117.0° | 120.0° |
| C4 | C3 | N2 | 105.1° | 107.6° |
| C4 | C3 | H4 | 127.4° | 126.2° |
| C1 | N2 | C3 | 124.0° | 126.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.4° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.4° |
| N2 | C3 | H4 | 127.4° | 126.2° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 115.5° |
| H10 | C13 | H11 | 109.5° | 115.6° |
| H17 | C17 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C12 | C13 | H8 | 109.6° | 107.5° |
| C10 | C12 | C13 | H9 | 109.6° | 107.5° |
| C12 | C10 | C11 | C13 | 67.1° | 68.7° |
| C12 | C10 | C11 | N9 | 143.7° | 145.7° |
| C12 | C10 | C13 | N9 | 105.6° | 107.5° |
| C12 | C10 | N9 | C8 | 142.1° | 133.9° |
| C12 | C10 | C11 | H5 | 180.0° | 133.9° |
| C12 | C10 | C11 | H6 | 60.0° | 106.1° |
| C12 | C10 | C11 | H7 | 60.0° | 13.9° |
| C10 | C12 | H8 | H9 | 144.5° | 145.7° |
| C10 | C12 | C13 | H10 | 109.6° | 107.5° |
| C10 | C12 | C13 | H11 | 109.6° | 107.5° |
| C12 | C10 | N9 | H16 | 20.7° | 46.2° |
| C13 | C12 | H8 | H9 | 144.5° | 145.6° |
| C12 | C13 | H10 | H11 | 144.4° | 145.7° |
| N19 | C18 | C17 | C16 | 4.0° | 37.6° |
| N19 | C18 | C17 | H17 | 124.5° | 82.4° |
| N19 | C18 | C17 | H18 | 116.6° | 157.6° |
| C18 | C17 | C16 | H17 | 120.5° | 120.0° |
| C18 | C17 | C16 | H18 | 120.5° | 120.0° |
| C18 | C17 | C16 | N15 | 42.0° | 55.1° |
| C18 | C17 | C16 | C20 | 139.0° | 125.0° |
| C18 | C17 | H17 | H18 | 118.5° | 120.0° |
| C11 | C10 | C13 | N9 | 147.3° | 144.9° |
| C11 | C10 | N9 | C8 | 74.4° | 80.4° |
| C10 | C11 | H5 | H6 | 120.0° | 120.1° |
| C10 | C11 | H5 | H7 | 120.0° | 120.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C10 | C12 | H8 | 3.2° | 0.0° |
| C11 | C10 | C12 | H9 | 144.1° | 145.1° |
| C11 | C10 | C13 | H10 | 2.5° | 145.0° |
| C11 | C10 | C13 | H11 | 143.3° | 0.1° |
| C11 | C10 | N9 | H16 | 164.2° | 99.6° |
| C13 | C10 | N9 | C8 | 73.5° | 65.2° |
| C13 | C10 | C11 | H5 | 112.9° | 65.2° |
| C13 | C10 | C11 | H6 | 127.1° | 174.7° |
| C13 | C10 | C11 | H7 | 7.1° | 54.8° |
| C10 | C13 | H10 | H11 | 144.4° | 145.7° |
| C13 | C10 | N9 | H16 | 47.9° | 114.8° |
| C10 | N9 | C8 | H16 | 121.4° | 180.0° |
| C10 | N9 | C8 | C14 | 177.7° | 174.9° |
| C10 | N9 | C8 | N7 | 1.5° | 5.3° |
| N9 | C10 | C11 | H5 | 36.3° | 80.4° |
| N9 | C10 | C11 | H6 | 83.6° | 39.6° |
| N9 | C10 | C11 | H7 | 156.4° | 159.6° |
| N9 | C10 | C12 | H8 | 139.4° | 145.0° |
| N9 | C10 | C12 | H9 | 1.4° | 0.0° |
| N9 | C10 | C13 | H10 | 144.8° | 0.0° |
| N9 | C10 | C13 | H11 | 4.0° | 145.1° |
| N9 | C8 | C14 | N15 | 0.8° | 0.2° |
| N9 | C8 | C14 | N7 | 179.2° | 179.8° |
| N9 | C8 | C14 | C22 | 178.9° | 179.8° |
| N9 | C8 | N7 | C6 | 179.6° | 179.8° |
| C17 | C16 | N15 | C20 | 178.9° | 179.9° |
| C17 | C16 | N15 | C14 | 179.5° | 180.0° |
| C17 | C16 | C20 | C21 | 179.6° | 179.9° |
| C17 | C16 | C20 | H12 | 0.4° | 0.0° |
| C16 | C17 | H17 | H18 | 118.5° | 120.0° |
| C16 | N15 | C14 | C8 | 178.1° | 180.0° |
| C16 | N15 | C14 | C22 | 0.1° | 0.1° |
| N15 | C16 | C20 | C21 | 0.7° | 0.0° |
| N15 | C16 | C20 | H12 | 179.3° | 179.9° |
| N15 | C16 | C17 | H17 | 162.5° | 64.9° |
| N15 | C16 | C17 | H18 | 78.5° | 175.1° |
| N15 | C14 | C8 | C22 | 178.1° | 179.9° |
| N15 | C14 | C8 | N7 | 178.4° | 180.0° |
| C14 | N15 | C16 | C20 | 0.6° | 0.1° |
| N15 | C14 | C22 | C21 | 0.1° | 0.0° |
| N15 | C14 | C22 | N23 | 179.4° | 180.0° |
| C14 | C8 | N7 | C6 | 1.2° | 0.0° |
| C8 | C14 | C22 | C21 | 177.9° | 179.9° |
| C8 | C14 | C22 | N23 | 2.6° | 0.0° |
| C14 | C8 | N9 | H16 | 60.9° | 5.1° |
| N7 | C8 | C14 | C22 | 0.3° | 0.1° |
| C8 | N7 | C6 | N23 | 0.6° | 0.0° |
| C8 | N7 | C6 | N5 | 178.4° | 180.0° |
| N7 | C8 | N9 | H16 | 119.9° | 174.7° |
| C16 | C20 | C21 | H12 | 180.0° | 180.0° |
| C16 | C20 | C21 | C22 | 0.4° | 0.0° |
| C16 | C20 | C21 | H13 | 179.6° | 180.0° |
| C20 | C16 | C17 | H17 | 18.5° | 115.0° |
| C20 | C16 | C17 | H18 | 100.5° | 5.0° |
| C14 | C22 | C21 | C20 | 0.0° | 0.0° |
| C14 | C22 | C21 | N23 | 179.5° | 180.0° |
| C14 | C22 | N23 | C6 | 3.2° | 0.0° |
| C14 | C22 | C21 | H13 | 180.0° | 180.0° |
| N7 | C6 | N23 | C22 | 1.6° | 0.0° |
| N7 | C6 | N23 | N5 | 178.9° | 180.0° |
| N7 | C6 | N5 | C4 | 5.6° | 180.0° |
| N7 | C6 | N5 | H15 | 174.4° | 0.0° |
| C20 | C21 | C22 | H13 | 180.0° | 179.9° |
| C20 | C21 | C22 | N23 | 179.5° | 180.0° |
| N25 | C24 | C4 | H14 | 180.0° | 179.9° |
| N25 | C24 | C4 | N5 | 177.1° | 180.0° |
| N25 | C24 | C4 | C3 | 0.4° | 0.2° |
| C24 | N25 | N2 | C1 | 179.4° | 179.9° |
| C24 | N25 | N2 | C3 | 0.0° | 0.2° |
| C4 | C24 | N25 | N2 | 0.2° | 0.0° |
| C24 | C4 | N5 | C6 | 16.0° | 0.0° |
| C24 | C4 | N5 | C3 | 176.2° | 179.8° |
| C24 | C4 | C3 | N2 | 0.3° | 0.3° |
| C24 | C4 | C3 | H4 | 179.7° | 180.0° |
| C24 | C4 | N5 | H15 | 164.0° | 180.0° |
| N25 | N2 | C3 | C4 | 0.2° | 0.3° |
| N25 | N2 | C1 | C3 | 179.3° | 179.9° |
| N25 | N2 | C1 | H1 | 0.0° | 89.9° |
| N25 | N2 | C1 | H2 | 120.0° | 150.1° |
| N25 | N2 | C1 | H3 | 120.0° | 30.0° |
| N25 | N2 | C3 | H4 | 179.8° | 180.0° |
| N2 | N25 | C24 | H14 | 179.8° | 180.0° |
| C21 | C22 | N23 | C6 | 177.3° | 180.0° |
| C22 | C21 | C20 | H12 | 179.6° | 180.0° |
| C22 | N23 | C6 | N5 | 179.5° | 180.0° |
| N23 | C22 | C21 | H13 | 0.5° | 0.1° |
| N23 | C6 | N5 | C4 | 175.4° | 0.0° |
| N23 | C6 | N5 | H15 | 4.6° | 180.0° |
| C6 | N5 | C4 | H15 | 180.0° | 180.0° |
| C6 | N5 | C4 | C3 | 160.3° | 179.8° |
| N5 | C4 | C3 | N2 | 177.3° | 179.9° |
| N5 | C4 | C3 | H4 | 2.7° | 0.2° |
| N5 | C4 | C24 | H14 | 2.9° | 0.1° |
| C4 | C3 | N2 | C1 | 179.6° | 179.7° |
| C4 | C3 | N2 | H4 | 180.0° | 179.7° |
| C3 | C4 | C24 | H14 | 179.7° | 179.9° |
| C3 | C4 | N5 | H15 | 19.7° | 0.3° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H4 | 0.4° | 0.0° |
| C3 | N2 | C1 | H1 | 179.3° | 90.0° |
| C3 | N2 | C1 | H2 | 60.7° | 30.0° |
| C3 | N2 | C1 | H3 | 59.3° | 150.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | C13 | H10 | 0.0° | 145.0° |
| H8 | C12 | C13 | H11 | 140.8° | 0.1° |
| H9 | C12 | C13 | H10 | 140.8° | 0.0° |
| H9 | C12 | C13 | H11 | 0.0° | 145.0° |
| H12 | C20 | C21 | H13 | 0.4° | 0.1° |
