M5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | CL1 | sing | 1.74Å | 1.73Å | |
| C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | N25 | sing | 1.32Å | 1.33Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C17 | sing | 1.48Å | 1.49Å | |
| C8 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | N7 | sing | 1.40Å | 1.41Å | |
| N18 | C17 | doub | 1.33Å | 1.33Å | Aromatic |
| N18 | C19 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | N16 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | N7 | sing | 1.48Å | 1.48Å | |
| C6 | C5 | sing | 1.56Å | 1.57Å | |
| N16 | C15 | doub | 1.33Å | 1.34Å | Aromatic |
| N7 | C3 | sing | 1.50Å | 1.50Å | |
| C20 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.43Å | 1.43Å | |
| C15 | N1 | sing | 1.38Å | 1.40Å | |
| C21 | N22 | trip | 1.14Å | 1.14Å | |
| C5 | N1 | sing | 1.50Å | 1.50Å | |
| C5 | C4 | sing | 1.57Å | 1.57Å | |
| C2 | N1 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | sing | 1.56Å | 1.57Å | |
| C3 | C4 | sing | 1.57Å | 1.57Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.4° | 120.1° |
| C10 | C11 | C12 | 119.6° | 120.2° |
| C10 | C11 | H9 | 120.2° | 119.9° |
| C11 | C10 | H14 | 119.8° | 120.0° |
| C10 | C9 | C8 | 120.6° | 120.0° |
| C10 | C9 | H13 | 119.7° | 120.0° |
| C9 | C10 | H14 | 119.8° | 120.0° |
| C11 | C12 | CL1 | 120.4° | 119.9° |
| C11 | C12 | C14 | 120.6° | 120.1° |
| C12 | C11 | H9 | 120.2° | 119.9° |
| C9 | C8 | C14 | 118.4° | 119.8° |
| C9 | C8 | N7 | 117.9° | 120.0° |
| C8 | C9 | H13 | 119.7° | 120.0° |
| CL1 | C12 | C14 | 119.0° | 120.0° |
| C12 | C14 | C8 | 120.4° | 119.9° |
| C12 | C14 | H15 | 119.8° | 120.0° |
| C27 | C26 | N25 | 121.5° | 121.1° |
| C26 | C27 | C28 | 119.1° | 119.3° |
| C26 | C27 | H12 | 120.5° | 120.4° |
| C27 | C26 | H16 | 119.3° | 119.5° |
| C26 | N25 | C24 | 121.6° | 121.9° |
| N25 | C26 | H16 | 119.2° | 119.4° |
| C27 | C28 | C23 | 118.6° | 118.3° |
| C28 | C27 | H12 | 120.4° | 120.3° |
| C27 | C28 | H17 | 120.7° | 120.8° |
| N25 | C24 | C23 | 120.6° | 120.6° |
| N25 | C24 | H11 | 119.7° | 119.7° |
| C28 | C23 | C24 | 118.5° | 118.9° |
| C28 | C23 | C17 | 120.2° | 120.6° |
| C23 | C28 | H17 | 120.7° | 120.8° |
| C24 | C23 | C17 | 121.3° | 120.5° |
| C23 | C24 | H11 | 119.7° | 119.7° |
| C23 | C17 | N18 | 119.5° | 118.9° |
| C23 | C17 | N16 | 119.6° | 119.0° |
| C14 | C8 | N7 | 123.6° | 120.1° |
| C8 | C14 | H15 | 119.8° | 120.0° |
| C8 | N7 | C6 | 117.1° | 111.0° |
| C8 | N7 | C3 | 120.1° | 111.0° |
| C17 | N18 | C19 | 120.7° | 121.1° |
| N18 | C17 | N16 | 120.9° | 122.0° |
| N18 | C19 | C20 | 120.4° | 119.1° |
| N18 | C19 | H10 | 119.8° | 120.4° |
| C17 | N16 | C15 | 123.4° | 120.8° |
| C19 | C20 | C15 | 118.2° | 118.2° |
| C19 | C20 | C21 | 116.4° | 120.9° |
| C20 | C19 | H10 | 119.8° | 120.5° |
| N7 | C6 | C5 | 104.4° | 105.1° |
| C6 | N7 | C3 | 105.8° | 106.0° |
| N7 | C6 | H7 | 110.7° | 110.3° |
| N7 | C6 | H8 | 110.7° | 110.3° |
| C6 | C5 | N1 | 107.7° | 104.1° |
| C6 | C5 | C4 | 99.5° | 99.6° |
| C6 | C5 | H6 | 116.0° | 116.9° |
| C5 | C6 | H7 | 110.7° | 110.3° |
| C5 | C6 | H8 | 110.7° | 110.3° |
| N16 | C15 | C20 | 116.4° | 118.8° |
| N16 | C15 | N1 | 118.5° | 120.6° |
| N7 | C3 | C2 | 107.6° | 104.1° |
| N7 | C3 | C4 | 96.1° | 101.0° |
| N7 | C3 | H3 | 117.5° | 116.8° |
| C15 | C20 | C21 | 125.3° | 120.9° |
| C20 | C15 | N1 | 125.1° | 120.6° |
| C20 | C21 | N22 | 177.6° | 180.0° |
| C15 | N1 | C5 | 116.3° | 111.0° |
| C15 | N1 | C2 | 119.7° | 111.0° |
| N1 | C5 | C4 | 97.7° | 101.0° |
| C5 | N1 | C2 | 105.1° | 106.0° |
| N1 | C5 | H6 | 117.2° | 116.2° |
| C5 | C4 | C3 | 94.9° | 94.3° |
| C5 | C4 | H4 | 113.0° | 112.3° |
| C5 | C4 | H5 | 113.0° | 112.4° |
| C4 | C5 | H6 | 116.0° | 116.6° |
| N1 | C2 | C3 | 104.9° | 105.1° |
| N1 | C2 | H1 | 110.6° | 110.3° |
| N1 | C2 | H2 | 110.6° | 110.3° |
| C2 | C3 | C4 | 100.5° | 99.7° |
| C3 | C2 | H1 | 110.6° | 110.3° |
| C3 | C2 | H2 | 110.6° | 110.3° |
| C2 | C3 | H3 | 116.1° | 116.2° |
| C4 | C3 | H3 | 116.1° | 116.5° |
| C3 | C4 | H4 | 113.0° | 112.3° |
| C3 | C4 | H5 | 113.0° | 112.4° |
| H1 | C2 | H2 | 109.4° | 110.4° |
| H4 | C4 | H5 | 109.5° | 111.9° |
| H7 | C6 | H8 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H14 | 180.0° | 179.9° |
| C10 | C11 | C12 | H9 | 180.0° | 179.4° |
| C11 | C10 | C9 | C8 | 0.5° | 0.0° |
| C10 | C11 | C12 | CL1 | 179.9° | 179.5° |
| C10 | C11 | C12 | C14 | 0.0° | 0.6° |
| C11 | C10 | C9 | H13 | 179.5° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.3° |
| C10 | C9 | C8 | H13 | 180.0° | 180.0° |
| C10 | C9 | C8 | C14 | 1.0° | 0.0° |
| C10 | C9 | C8 | N7 | 179.9° | 179.7° |
| C9 | C10 | C11 | H9 | 180.0° | 179.7° |
| C11 | C12 | CL1 | C14 | 179.9° | 179.9° |
| C11 | C12 | C14 | C8 | 0.5° | 0.6° |
| C12 | C11 | C10 | H14 | 180.0° | 179.8° |
| C11 | C12 | C14 | H15 | 179.5° | 179.5° |
| C9 | C8 | C14 | C12 | 1.0° | 0.3° |
| C9 | C8 | C14 | N7 | 178.9° | 179.7° |
| C9 | C8 | N7 | C6 | 56.8° | 29.4° |
| C9 | C8 | N7 | C3 | 172.5° | 147.0° |
| C8 | C9 | C10 | H14 | 179.5° | 179.9° |
| C9 | C8 | C14 | H15 | 179.0° | 179.8° |
| CL1 | C12 | C14 | C8 | 179.6° | 179.5° |
| CL1 | C12 | C11 | H9 | 0.1° | 0.1° |
| CL1 | C12 | C14 | H15 | 0.4° | 0.4° |
| C12 | C14 | C8 | H15 | 180.0° | 179.9° |
| C12 | C14 | C8 | N7 | 179.9° | 180.0° |
| C14 | C12 | C11 | H9 | 180.0° | 180.0° |
| C27 | C26 | N25 | H16 | 180.0° | 179.8° |
| C26 | C27 | C28 | H12 | 180.0° | 179.5° |
| C27 | C26 | N25 | C24 | 0.4° | 0.0° |
| C26 | C27 | C28 | C23 | 0.1° | 0.6° |
| C26 | C27 | C28 | H17 | 179.9° | 180.0° |
| N25 | C26 | C27 | C28 | 0.3° | 0.2° |
| C26 | N25 | C24 | C23 | 0.3° | 0.0° |
| C26 | N25 | C24 | H11 | 179.7° | 180.0° |
| N25 | C26 | C27 | H12 | 179.7° | 179.7° |
| C27 | C28 | C23 | H17 | 180.0° | 179.4° |
| C27 | C28 | C23 | C24 | 0.0° | 0.6° |
| C27 | C28 | C23 | C17 | 180.0° | 179.7° |
| C28 | C27 | C26 | H16 | 179.7° | 180.0° |
| N25 | C24 | C23 | C28 | 0.2° | 0.3° |
| N25 | C24 | C23 | H11 | 180.0° | 180.0° |
| N25 | C24 | C23 | C17 | 179.9° | 180.0° |
| C24 | N25 | C26 | H16 | 179.6° | 179.7° |
| C28 | C23 | C24 | C17 | 180.0° | 179.6° |
| C28 | C23 | C17 | N18 | 22.1° | 0.4° |
| C28 | C23 | C17 | N16 | 157.3° | 179.7° |
| C28 | C23 | C24 | H11 | 179.9° | 179.7° |
| C23 | C28 | C27 | H12 | 179.9° | 180.0° |
| C24 | C23 | C17 | N18 | 157.9° | 180.0° |
| C24 | C23 | C17 | N16 | 22.7° | 0.0° |
| C24 | C23 | C28 | H17 | 180.0° | 180.0° |
| C23 | C17 | N18 | N16 | 179.4° | 179.9° |
| C23 | C17 | N18 | C19 | 179.6° | 179.7° |
| C23 | C17 | N16 | C15 | 180.0° | 180.0° |
| C17 | C23 | C24 | H11 | 0.1° | 0.1° |
| C17 | C23 | C28 | H17 | 0.0° | 0.3° |
| C14 | C8 | N7 | C6 | 124.3° | 150.9° |
| C14 | C8 | N7 | C3 | 6.4° | 33.3° |
| C14 | C8 | C9 | H13 | 179.0° | 180.0° |
| C8 | N7 | C6 | C3 | 137.0° | 120.6° |
| C8 | N7 | C6 | C5 | 152.0° | 122.5° |
| C8 | N7 | C3 | C2 | 79.8° | 53.7° |
| C8 | N7 | C3 | C4 | 177.1° | 156.7° |
| C8 | N7 | C3 | H3 | 53.5° | 75.9° |
| C8 | N7 | C6 | H7 | 88.8° | 3.6° |
| C8 | N7 | C6 | H8 | 32.8° | 118.6° |
| N7 | C8 | C9 | H13 | 0.1° | 0.3° |
| N7 | C8 | C14 | H15 | 0.1° | 0.1° |
| C17 | N18 | C19 | C20 | 0.1° | 0.3° |
| N18 | C17 | N16 | C15 | 0.7° | 0.0° |
| C17 | N18 | C19 | H10 | 179.9° | 179.7° |
| C19 | N18 | C17 | N16 | 0.2° | 0.3° |
| N18 | C19 | C20 | H10 | 180.0° | 179.9° |
| N18 | C19 | C20 | C15 | 0.4° | 0.1° |
| N18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C17 | N16 | C15 | C20 | 0.9° | 0.2° |
| C17 | N16 | C15 | N1 | 179.4° | 180.0° |
| C19 | C20 | C15 | N16 | 0.8° | 0.2° |
| C19 | C20 | C15 | C21 | 179.5° | 179.9° |
| C19 | C20 | C15 | N1 | 179.1° | 180.0° |
| C19 | C20 | C21 | N22 | 171.6° | 56.4° |
| N7 | C6 | C5 | H7 | 119.2° | 119.0° |
| N7 | C6 | C5 | H8 | 119.2° | 118.9° |
| N7 | C6 | C5 | N1 | 77.5° | 71.2° |
| N7 | C6 | C5 | C4 | 23.8° | 32.8° |
| C6 | N7 | C3 | C2 | 55.7° | 66.9° |
| C6 | N7 | C3 | C4 | 47.4° | 36.1° |
| C6 | N7 | C3 | H3 | 171.0° | 163.5° |
| N7 | C6 | C5 | H6 | 148.9° | 159.3° |
| N7 | C6 | H7 | H8 | 122.3° | 122.2° |
| C5 | C6 | N7 | C3 | 14.9° | 1.9° |
| C6 | C5 | N1 | C15 | 79.0° | 53.8° |
| C6 | C5 | N1 | C4 | 102.6° | 103.0° |
| C6 | C5 | N1 | H6 | 133.0° | 129.9° |
| C6 | C5 | C4 | H6 | 125.1° | 126.7° |
| C6 | C5 | N1 | C2 | 56.0° | 66.9° |
| C6 | C5 | C4 | C3 | 51.0° | 52.1° |
| C6 | C5 | C4 | H4 | 66.5° | 168.4° |
| C6 | C5 | C4 | H5 | 168.5° | 64.3° |
| C5 | C6 | H7 | H8 | 122.4° | 122.1° |
| N16 | C15 | C20 | N1 | 178.3° | 179.8° |
| N16 | C15 | C20 | C21 | 179.7° | 179.7° |
| N16 | C15 | N1 | C5 | 18.5° | 129.7° |
| N16 | C15 | N1 | C2 | 146.7° | 12.0° |
| N7 | C3 | C4 | C5 | 60.1° | 54.5° |
| N7 | C3 | C2 | N1 | 77.2° | 71.2° |
| N7 | C3 | C2 | C4 | 99.9° | 104.1° |
| N7 | C3 | C2 | H3 | 134.0° | 129.9° |
| N7 | C3 | C4 | H3 | 124.7° | 127.6° |
| N7 | C3 | C2 | H1 | 163.5° | 47.7° |
| N7 | C3 | C2 | H2 | 42.1° | 169.9° |
| N7 | C3 | C4 | H4 | 57.4° | 170.8° |
| N7 | C3 | C4 | H5 | 177.6° | 61.9° |
| C3 | N7 | C6 | H7 | 134.1° | 117.1° |
| C3 | N7 | C6 | H8 | 104.2° | 120.7° |
| C15 | C20 | C21 | N22 | 8.0° | 123.6° |
| C20 | C15 | N1 | C5 | 163.2° | 50.5° |
| C20 | C15 | N1 | C2 | 35.0° | 168.2° |
| C15 | C20 | C19 | H10 | 179.6° | 180.0° |
| C21 | C20 | C15 | N1 | 1.4° | 0.1° |
| C21 | C20 | C19 | H10 | 0.1° | 0.1° |
| C15 | N1 | C5 | C2 | 135.0° | 120.7° |
| C15 | N1 | C5 | C4 | 178.5° | 156.7° |
| C15 | N1 | C2 | C3 | 147.9° | 122.5° |
| C15 | N1 | C2 | H1 | 92.8° | 3.6° |
| C15 | N1 | C2 | H2 | 28.6° | 118.6° |
| C15 | N1 | C5 | H6 | 54.0° | 76.2° |
| N1 | C5 | C4 | H6 | 125.3° | 126.8° |
| C5 | N1 | C2 | C3 | 14.8° | 1.8° |
| N1 | C5 | C4 | C3 | 58.5° | 54.4° |
| C5 | N1 | C2 | H1 | 134.1° | 117.1° |
| C5 | N1 | C2 | H2 | 104.5° | 120.7° |
| N1 | C5 | C4 | H4 | 176.0° | 61.9° |
| N1 | C5 | C4 | H5 | 59.0° | 170.8° |
| N1 | C5 | C6 | H7 | 163.3° | 47.8° |
| N1 | C5 | C6 | H8 | 41.7° | 169.9° |
| C4 | C5 | N1 | C2 | 46.6° | 36.0° |
| C5 | C4 | C3 | C2 | 49.2° | 52.1° |
| C5 | C4 | C3 | H4 | 117.5° | 116.3° |
| C5 | C4 | C3 | H5 | 117.5° | 116.4° |
| C5 | C4 | C3 | H3 | 175.3° | 178.0° |
| C5 | C4 | H4 | H5 | 126.9° | 127.6° |
| C4 | C5 | C6 | H7 | 95.4° | 151.8° |
| C4 | C5 | C6 | H8 | 143.0° | 86.1° |
| N1 | C2 | C3 | H1 | 119.3° | 118.9° |
| N1 | C2 | C3 | H2 | 119.3° | 118.9° |
| N1 | C2 | C3 | C4 | 22.7° | 32.9° |
| N1 | C2 | H1 | H2 | 122.1° | 122.2° |
| N1 | C2 | C3 | H3 | 148.8° | 158.9° |
| C2 | N1 | C5 | H6 | 171.0° | 163.1° |
| C2 | C3 | C4 | H3 | 126.1° | 125.9° |
| C3 | C2 | H1 | H2 | 122.1° | 122.2° |
| C2 | C3 | C4 | H4 | 166.7° | 64.2° |
| C2 | C3 | C4 | H5 | 68.4° | 168.5° |
| C4 | C3 | C2 | H1 | 96.6° | 151.7° |
| C4 | C3 | C2 | H2 | 142.0° | 86.0° |
| C3 | C4 | H4 | H5 | 126.8° | 127.5° |
| C3 | C4 | C5 | H6 | 176.2° | 178.8° |
| H1 | C2 | C3 | H3 | 29.5° | 82.2° |
| H2 | C2 | C3 | H3 | 91.9° | 40.0° |
| H3 | C3 | C4 | H4 | 67.2° | 61.6° |
| H3 | C3 | C4 | H5 | 57.7° | 65.6° |
| H4 | C4 | C5 | H6 | 58.7° | 64.9° |
| H5 | C4 | C5 | H6 | 66.3° | 62.4° |
| H6 | C5 | C6 | H7 | 29.7° | 81.7° |
| H6 | C5 | C6 | H8 | 91.9° | 40.4° |
| H9 | C11 | C10 | H14 | 0.0° | 0.4° |
| H12 | C27 | C26 | H16 | 0.3° | 0.5° |
| H12 | C27 | C28 | H17 | 0.1° | 0.6° |
| H13 | C9 | C10 | H14 | 0.5° | 0.1° |
