5N3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C21 | sing | 1.74Å | 1.73Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N23 | C22 | sing | 1.37Å | 1.36Å | Aromatic |
| N23 | N25 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| N25 | C16 | doub | 1.31Å | 1.30Å | Aromatic |
| C17 | C16 | sing | 1.46Å | 1.47Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.37Å | 1.38Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.39Å | |
| N15 | C5 | sing | 1.39Å | 1.39Å | |
| C5 | N6 | doub | 1.33Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| N6 | C7 | sing | 1.33Å | 1.32Å | Aromatic |
| C14 | N13 | doub | 1.31Å | 1.30Å | Aromatic |
| C14 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C27 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | O28 | sing | 1.44Å | 1.44Å | |
| N13 | N11 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.48Å | |
| C7 | N8 | doub | 1.33Å | 1.33Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.37Å | Aromatic |
| C3 | N8 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| O28 | C2 | sing | 1.44Å | 1.44Å | |
| N11 | C10 | sing | 1.35Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C29 | sing | 1.53Å | 1.53Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| N11 | H6 | sing | 0.97Å | 1.00Å | |
| N15 | H7 | sing | 0.97Å | 1.00Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| N23 | H11 | sing | 0.97Å | 1.00Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C21 | C22 | 117.2° | 120.1° |
| CL | C21 | C20 | 122.3° | 120.2° |
| C22 | C21 | C20 | 120.5° | 119.7° |
| C21 | C22 | N23 | 132.4° | 133.7° |
| C21 | C22 | C17 | 120.0° | 119.4° |
| C21 | C20 | C19 | 119.5° | 120.7° |
| C21 | C20 | H10 | 120.3° | 119.7° |
| C22 | N23 | N25 | 108.9° | 109.2° |
| N23 | C22 | C17 | 107.6° | 106.9° |
| C22 | N23 | H11 | 125.5° | 125.4° |
| N23 | N25 | C16 | 110.4° | 110.0° |
| N25 | N23 | H11 | 125.6° | 125.4° |
| C22 | C17 | C16 | 105.3° | 106.3° |
| C22 | C17 | C18 | 119.1° | 119.8° |
| C20 | C19 | C18 | 120.9° | 120.6° |
| C20 | C19 | H9 | 119.6° | 119.7° |
| C19 | C20 | H10 | 120.3° | 119.7° |
| N25 | C16 | C17 | 107.7° | 107.7° |
| N25 | C16 | N15 | 123.9° | 126.2° |
| C16 | C17 | C18 | 135.6° | 133.9° |
| C17 | C16 | N15 | 128.3° | 126.1° |
| C17 | C18 | C19 | 119.9° | 119.8° |
| C17 | C18 | H8 | 120.1° | 120.1° |
| C19 | C18 | H8 | 120.0° | 120.1° |
| C18 | C19 | H9 | 119.5° | 119.7° |
| C16 | N15 | C5 | 124.3° | 120.0° |
| C16 | N15 | H7 | 117.8° | 120.0° |
| N15 | C5 | N6 | 121.9° | 120.6° |
| N15 | C5 | C4 | 119.5° | 120.6° |
| C5 | N15 | H7 | 117.9° | 120.0° |
| N6 | C5 | C4 | 118.7° | 118.7° |
| C5 | N6 | C7 | 121.6° | 120.6° |
| C5 | C4 | C27 | 133.1° | 133.6° |
| C5 | C4 | C3 | 118.3° | 118.9° |
| N6 | C7 | C9 | 118.7° | 119.1° |
| N6 | C7 | N8 | 121.0° | 121.8° |
| N13 | C14 | C9 | 107.5° | 108.0° |
| C14 | N13 | N11 | 109.2° | 108.6° |
| N13 | C14 | H1 | 126.2° | 125.9° |
| C14 | C9 | C7 | 126.1° | 126.2° |
| C14 | C9 | C10 | 107.6° | 107.5° |
| C9 | C14 | H1 | 126.3° | 126.0° |
| C27 | C4 | C3 | 108.6° | 107.4° |
| C4 | C27 | O28 | 106.5° | 105.9° |
| C4 | C27 | H12 | 110.2° | 110.2° |
| C4 | C27 | H13 | 110.2° | 110.2° |
| C4 | C3 | N8 | 119.4° | 119.3° |
| C4 | C3 | C2 | 107.8° | 107.3° |
| C27 | O28 | C2 | 108.0° | 104.9° |
| O28 | C27 | H12 | 110.2° | 110.1° |
| O28 | C27 | H13 | 110.2° | 110.2° |
| N13 | N11 | C10 | 108.0° | 108.3° |
| N13 | N11 | H6 | 126.0° | 125.9° |
| C9 | C7 | N8 | 120.2° | 119.1° |
| C7 | C9 | C10 | 126.2° | 126.3° |
| C7 | N8 | C3 | 120.9° | 120.6° |
| C9 | C10 | N11 | 107.7° | 107.6° |
| C9 | C10 | H2 | 126.2° | 126.2° |
| N8 | C3 | C2 | 132.7° | 133.4° |
| C3 | C2 | O28 | 106.8° | 106.0° |
| C3 | C2 | C1 | 109.6° | 110.2° |
| C3 | C2 | C29 | 110.0° | 110.1° |
| O28 | C2 | C1 | 111.3° | 110.2° |
| O28 | C2 | C29 | 109.0° | 110.2° |
| N11 | C10 | H2 | 126.1° | 126.2° |
| C10 | N11 | H6 | 126.0° | 125.9° |
| C1 | C2 | C29 | 110.0° | 110.1° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.4° |
| C2 | C29 | H14 | 109.5° | 109.5° |
| C2 | C29 | H15 | 109.5° | 109.5° |
| C2 | C29 | H16 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H5 | 109.4° | 109.4° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H12 | C27 | H13 | 109.5° | 110.2° |
| H14 | C29 | H15 | 109.5° | 109.5° |
| H14 | C29 | H16 | 109.5° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C21 | C22 | C20 | 176.9° | 179.9° |
| CL | C21 | C22 | N23 | 0.9° | 0.0° |
| CL | C21 | C22 | C17 | 179.0° | 180.0° |
| CL | C21 | C20 | C19 | 179.0° | 180.0° |
| CL | C21 | C20 | H10 | 1.0° | 0.0° |
| C21 | C22 | N23 | C17 | 179.9° | 180.0° |
| C21 | C22 | N23 | N25 | 179.5° | 179.7° |
| C22 | C21 | C20 | C19 | 4.3° | 0.0° |
| C21 | C22 | C17 | C16 | 179.9° | 180.0° |
| C21 | C22 | C17 | C18 | 0.1° | 0.0° |
| C22 | C21 | C20 | H10 | 175.8° | 180.0° |
| C21 | C22 | N23 | H11 | 0.5° | 0.0° |
| C20 | C21 | C22 | N23 | 177.8° | 180.0° |
| C20 | C21 | C22 | C17 | 2.1° | 0.1° |
| C21 | C20 | C19 | H10 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 4.4° | 0.0° |
| C21 | C20 | C19 | H9 | 175.6° | 180.0° |
| C22 | N23 | N25 | H11 | 180.0° | 179.7° |
| C22 | N23 | N25 | C16 | 0.9° | 0.5° |
| N23 | C22 | C17 | C16 | 0.2° | 0.0° |
| N23 | C22 | C17 | C18 | 180.0° | 180.0° |
| N25 | N23 | C22 | C17 | 0.4° | 0.3° |
| N23 | N25 | C16 | C17 | 1.0° | 0.4° |
| N23 | N25 | C16 | N15 | 177.4° | 179.8° |
| C22 | C17 | C16 | N25 | 0.8° | 0.3° |
| C22 | C17 | C16 | C18 | 179.7° | 180.0° |
| C22 | C17 | C18 | C19 | 0.0° | 0.0° |
| C22 | C17 | C16 | N15 | 177.0° | 180.0° |
| C22 | C17 | C18 | H8 | 180.0° | 180.0° |
| C17 | C22 | N23 | H11 | 179.6° | 180.0° |
| C20 | C19 | C18 | C17 | 2.2° | 0.1° |
| C20 | C19 | C18 | H9 | 180.0° | 180.0° |
| C20 | C19 | C18 | H8 | 177.8° | 180.0° |
| N25 | C16 | C17 | N15 | 176.2° | 179.8° |
| N25 | C16 | C17 | C18 | 179.5° | 179.7° |
| N25 | C16 | N15 | C5 | 132.8° | 0.3° |
| N25 | C16 | N15 | H7 | 47.2° | 179.7° |
| C16 | N25 | N23 | H11 | 179.1° | 179.8° |
| C16 | C17 | C18 | C19 | 179.7° | 179.9° |
| C17 | C16 | N15 | C5 | 51.5° | 180.0° |
| C17 | C16 | N15 | H7 | 128.5° | 0.0° |
| C16 | C17 | C18 | H8 | 0.3° | 0.1° |
| C17 | C18 | C19 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | N15 | 3.3° | 0.0° |
| C17 | C18 | C19 | H9 | 177.8° | 180.0° |
| C18 | C19 | C20 | H10 | 175.7° | 180.0° |
| C16 | N15 | C5 | H7 | 180.0° | 180.0° |
| C16 | N15 | C5 | N6 | 1.4° | 0.0° |
| C16 | N15 | C5 | C4 | 178.0° | 180.0° |
| N15 | C5 | N6 | C4 | 179.3° | 180.0° |
| N15 | C5 | N6 | C7 | 179.1° | 180.0° |
| N15 | C5 | C4 | C27 | 1.1° | 0.0° |
| N15 | C5 | C4 | C3 | 179.2° | 179.7° |
| N6 | C5 | C4 | C27 | 179.6° | 180.0° |
| N6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C5 | N6 | C7 | C9 | 177.4° | 180.0° |
| C5 | N6 | C7 | N8 | 0.3° | 0.5° |
| N6 | C5 | N15 | H7 | 178.6° | 180.0° |
| C4 | C5 | N6 | C7 | 0.3° | 0.1° |
| C5 | C4 | C27 | C3 | 179.7° | 179.7° |
| C5 | C4 | C27 | O28 | 170.6° | 162.2° |
| C5 | C4 | C3 | N8 | 0.1° | 0.2° |
| C5 | C4 | C3 | C2 | 179.6° | 179.8° |
| C4 | C5 | N15 | H7 | 2.1° | 0.0° |
| C5 | C4 | C27 | H12 | 51.0° | 43.1° |
| C5 | C4 | C27 | H13 | 69.9° | 78.7° |
| N6 | C7 | C9 | C14 | 13.5° | 179.4° |
| N6 | C7 | C9 | N8 | 177.7° | 179.5° |
| N6 | C7 | C9 | C10 | 162.9° | 0.5° |
| N6 | C7 | N8 | C3 | 0.2° | 0.5° |
| N13 | C14 | C9 | H1 | 180.0° | 179.8° |
| N13 | C14 | C9 | C7 | 178.5° | 180.0° |
| N13 | C14 | C9 | C10 | 1.6° | 0.1° |
| C14 | N13 | N11 | C10 | 0.0° | 0.0° |
| C14 | N13 | N11 | H6 | 180.0° | 179.9° |
| C9 | C14 | N13 | N11 | 1.0° | 0.0° |
| C14 | C9 | C7 | C10 | 176.4° | 179.9° |
| C14 | C9 | C7 | N8 | 168.8° | 0.1° |
| C14 | C9 | C10 | N11 | 1.6° | 0.1° |
| C14 | C9 | C10 | H2 | 178.4° | 180.0° |
| C4 | C27 | O28 | H12 | 119.5° | 119.1° |
| C4 | C27 | O28 | H13 | 119.6° | 119.1° |
| C27 | C4 | C3 | N8 | 179.7° | 180.0° |
| C27 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C27 | O28 | C2 | 14.7° | 28.2° |
| C4 | C27 | H12 | H13 | 121.4° | 121.8° |
| C3 | C4 | C27 | O28 | 9.1° | 17.5° |
| C4 | C3 | N8 | C7 | 0.1° | 0.2° |
| C4 | C3 | N8 | C2 | 179.5° | 180.0° |
| C4 | C3 | C2 | O28 | 8.9° | 17.6° |
| C4 | C3 | C2 | C1 | 111.8° | 101.6° |
| C4 | C3 | C2 | C29 | 127.2° | 136.8° |
| C3 | C4 | C27 | H12 | 128.7° | 136.6° |
| C3 | C4 | C27 | H13 | 110.4° | 101.6° |
| C27 | O28 | C2 | C3 | 14.7° | 28.2° |
| C27 | O28 | C2 | C1 | 104.9° | 91.0° |
| C27 | O28 | C2 | C29 | 133.6° | 147.4° |
| O28 | C27 | H12 | H13 | 121.3° | 121.7° |
| N13 | N11 | C10 | C9 | 1.0° | 0.0° |
| N13 | N11 | C10 | H6 | 180.0° | 179.9° |
| N11 | N13 | C14 | H1 | 179.0° | 179.8° |
| N13 | N11 | C10 | H2 | 179.0° | 180.0° |
| C9 | C7 | N8 | C3 | 177.4° | 180.0° |
| C7 | C9 | C10 | N11 | 178.5° | 180.0° |
| C7 | C9 | C14 | H1 | 1.4° | 0.2° |
| C7 | C9 | C10 | H2 | 1.5° | 0.1° |
| N8 | C7 | C9 | C10 | 14.8° | 180.0° |
| C7 | N8 | C3 | C2 | 179.6° | 179.8° |
| C9 | C10 | N11 | H2 | 180.0° | 179.9° |
| C10 | C9 | C14 | H1 | 178.4° | 179.7° |
| C9 | C10 | N11 | H6 | 179.0° | 180.0° |
| N8 | C3 | C2 | O28 | 170.6° | 162.4° |
| N8 | C3 | C2 | C1 | 68.7° | 78.4° |
| N8 | C3 | C2 | C29 | 52.4° | 43.2° |
| C3 | C2 | O28 | C1 | 119.6° | 119.2° |
| C3 | C2 | O28 | C29 | 118.9° | 119.2° |
| C3 | C2 | C1 | C29 | 121.1° | 121.7° |
| C3 | C2 | C1 | H3 | 180.0° | 60.0° |
| C3 | C2 | C1 | H4 | 60.0° | 180.0° |
| C3 | C2 | C1 | H5 | 60.0° | 60.0° |
| C3 | C2 | C29 | H14 | 180.0° | 60.0° |
| C3 | C2 | C29 | H15 | 60.0° | 180.0° |
| C3 | C2 | C29 | H16 | 60.0° | 60.0° |
| O28 | C2 | C1 | C29 | 121.0° | 121.7° |
| O28 | C2 | C1 | H3 | 62.1° | 176.6° |
| O28 | C2 | C1 | H4 | 57.9° | 63.4° |
| O28 | C2 | C1 | H5 | 177.9° | 56.6° |
| C2 | O28 | C27 | H12 | 134.3° | 147.3° |
| C2 | O28 | C27 | H13 | 104.8° | 91.0° |
| O28 | C2 | C29 | H14 | 63.2° | 56.6° |
| O28 | C2 | C29 | H15 | 176.8° | 63.4° |
| O28 | C2 | C29 | H16 | 56.8° | 176.6° |
| C2 | C1 | H3 | H4 | 120.0° | 120.1° |
| C2 | C1 | H3 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C1 | C2 | C29 | H14 | 59.2° | 178.3° |
| C1 | C2 | C29 | H15 | 60.8° | 58.3° |
| C1 | C2 | C29 | H16 | 179.2° | 61.7° |
| C29 | C2 | C1 | H3 | 58.9° | 61.7° |
| C29 | C2 | C1 | H4 | 178.9° | 58.4° |
| C29 | C2 | C1 | H5 | 61.1° | 178.4° |
| C2 | C29 | H14 | H15 | 120.0° | 120.0° |
| C2 | C29 | H14 | H16 | 120.0° | 120.0° |
| C2 | C29 | H15 | H16 | 120.0° | 120.0° |
| H2 | C10 | N11 | H6 | 1.0° | 0.1° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
| H8 | C18 | C19 | H9 | 2.2° | 0.0° |
| H9 | C19 | C20 | H10 | 4.3° | 0.0° |
| H14 | C29 | H15 | H16 | 120.0° | 120.0° |
