IM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | sing | 1.34Å | 1.36Å | Aromatic |
| N1 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.35Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.37Å | 1.34Å | Aromatic |
| N3 | C6 | sing | 1.40Å | 1.37Å | |
| C6 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.37Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| N8 | C9 | sing | 1.37Å | 1.35Å | Aromatic |
| N8 | C12 | sing | 1.37Å | 1.33Å | Aromatic |
| C9 | N14 | doub | 1.33Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| N14 | C13 | sing | 1.34Å | 1.36Å | Aromatic |
| C13 | N15 | sing | 1.40Å | 1.35Å | |
| O47 | C16 | doub | 1.22Å | 1.24Å | |
| N15 | C16 | sing | 1.35Å | 1.35Å | |
| C16 | C17 | sing | 1.48Å | 1.52Å | |
| C17 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C27 | sing | 1.51Å | 1.53Å | |
| C32 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C36 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C36 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C36 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| N15 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N1 | C2 | 108.2° | 109.4° |
| N1 | C5 | C4 | 108.5° | 108.2° |
| N1 | C5 | H2 | 125.7° | 126.0° |
| N1 | C2 | N3 | 106.4° | 108.6° |
| N1 | C2 | H21 | 126.8° | 125.7° |
| C5 | C4 | N3 | 104.9° | 106.8° |
| C5 | C4 | H1 | 127.5° | 126.6° |
| C4 | C5 | H2 | 125.8° | 125.8° |
| C2 | N3 | C4 | 112.0° | 107.1° |
| C2 | N3 | C6 | 123.7° | 126.5° |
| N3 | C2 | H21 | 126.8° | 125.7° |
| C4 | N3 | C6 | 124.4° | 126.5° |
| N3 | C4 | H1 | 127.6° | 126.6° |
| N3 | C6 | C11 | 123.7° | 119.9° |
| N3 | C6 | C7 | 123.3° | 119.9° |
| C11 | C6 | C7 | 113.0° | 120.1° |
| C6 | C11 | C10 | 122.7° | 119.6° |
| C6 | C11 | H20 | 118.6° | 120.1° |
| C6 | C7 | N8 | 123.8° | 120.5° |
| C6 | C7 | H3 | 118.1° | 119.7° |
| C11 | C10 | C9 | 120.3° | 119.5° |
| C11 | C10 | H4 | 119.8° | 120.2° |
| C10 | C11 | H20 | 118.6° | 120.2° |
| C7 | N8 | C9 | 122.1° | 120.5° |
| C7 | N8 | C12 | 131.0° | 132.4° |
| N8 | C7 | H3 | 118.1° | 119.8° |
| C10 | C9 | N8 | 118.0° | 119.7° |
| C10 | C9 | N14 | 131.7° | 132.1° |
| C9 | C10 | H4 | 119.8° | 120.3° |
| C9 | N8 | C12 | 106.9° | 107.1° |
| N8 | C9 | N14 | 110.4° | 108.2° |
| N8 | C12 | C13 | 109.0° | 107.1° |
| N8 | C12 | H19 | 125.5° | 126.4° |
| C9 | N14 | C13 | 105.9° | 109.2° |
| C12 | C13 | N14 | 107.9° | 108.4° |
| C12 | C13 | N15 | 135.2° | 125.8° |
| C13 | C12 | H19 | 125.5° | 126.5° |
| N14 | C13 | N15 | 116.9° | 125.8° |
| C13 | N15 | C16 | 124.0° | 120.0° |
| C13 | N15 | H18 | 118.0° | 120.0° |
| O47 | C16 | N15 | 123.4° | 120.0° |
| O47 | C16 | C17 | 118.4° | 120.0° |
| N15 | C16 | C17 | 118.2° | 120.0° |
| C16 | N15 | H18 | 118.0° | 120.0° |
| C16 | C17 | C22 | 120.8° | 120.2° |
| C16 | C17 | C18 | 121.3° | 120.1° |
| C22 | C17 | C18 | 117.9° | 119.7° |
| C17 | C22 | C21 | 121.8° | 119.8° |
| C17 | C22 | H6 | 119.2° | 120.0° |
| C17 | C18 | C19 | 120.2° | 119.8° |
| C17 | C18 | H17 | 119.9° | 120.0° |
| C22 | C21 | C20 | 121.0° | 120.2° |
| C22 | C21 | H5 | 119.5° | 119.9° |
| C21 | C22 | H6 | 119.1° | 120.1° |
| C18 | C19 | C20 | 121.2° | 120.1° |
| C18 | C19 | H16 | 119.4° | 119.9° |
| C19 | C18 | H17 | 119.9° | 120.1° |
| C21 | C20 | C19 | 117.9° | 120.3° |
| C21 | C20 | C27 | 118.5° | 119.8° |
| C20 | C21 | H5 | 119.5° | 119.9° |
| C19 | C20 | C27 | 123.6° | 119.8° |
| C20 | C19 | H16 | 119.4° | 120.0° |
| C20 | C27 | C32 | 110.4° | 109.5° |
| C20 | C27 | C28 | 110.0° | 109.5° |
| C20 | C27 | C36 | 111.1° | 109.5° |
| C32 | C27 | C28 | 108.5° | 109.4° |
| C32 | C27 | C36 | 108.6° | 109.5° |
| C27 | C32 | H13 | 109.5° | 109.5° |
| C27 | C32 | H14 | 109.5° | 109.5° |
| C27 | C32 | H15 | 109.5° | 109.4° |
| C28 | C27 | C36 | 108.2° | 109.5° |
| C27 | C28 | H7 | 109.5° | 109.5° |
| C27 | C28 | H8 | 109.5° | 109.5° |
| C27 | C28 | H9 | 109.4° | 109.5° |
| C27 | C36 | H10 | 109.5° | 109.5° |
| C27 | C36 | H11 | 109.5° | 109.5° |
| C27 | C36 | H12 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.4° |
| H7 | C28 | H9 | 109.4° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.4° |
| H10 | C36 | H11 | 109.5° | 109.4° |
| H10 | C36 | H12 | 109.5° | 109.5° |
| H11 | C36 | H12 | 109.5° | 109.4° |
| H13 | C32 | H14 | 109.5° | 109.5° |
| H13 | C32 | H15 | 109.4° | 109.4° |
| H14 | C32 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | N1 | C2 | N3 | 0.3° | 0.0° |
| N1 | C5 | C4 | N3 | 0.4° | 0.0° |
| N1 | C5 | C4 | H1 | 179.6° | 180.0° |
| C5 | N1 | C2 | H21 | 179.7° | 180.0° |
| C2 | N1 | C5 | C4 | 0.1° | 0.0° |
| N1 | C2 | N3 | H21 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| N1 | C2 | N3 | C6 | 179.6° | 180.0° |
| C2 | N1 | C5 | H2 | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.6° | 0.0° |
| C5 | C4 | N3 | H1 | 180.0° | 180.0° |
| C5 | C4 | N3 | C6 | 179.6° | 180.0° |
| C2 | N3 | C4 | C6 | 179.8° | 180.0° |
| C2 | N3 | C6 | C11 | 12.4° | 115.0° |
| C2 | N3 | C6 | C7 | 167.0° | 64.8° |
| C2 | N3 | C4 | H1 | 179.4° | 180.0° |
| C4 | N3 | C6 | C11 | 167.3° | 65.0° |
| C4 | N3 | C6 | C7 | 13.2° | 115.3° |
| N3 | C4 | C5 | H2 | 179.6° | 180.0° |
| C4 | N3 | C2 | H21 | 179.4° | 180.0° |
| N3 | C6 | C11 | C7 | 179.5° | 179.8° |
| N3 | C6 | C11 | C10 | 179.9° | 179.8° |
| N3 | C6 | C7 | N8 | 179.9° | 180.0° |
| C6 | N3 | C4 | H1 | 0.4° | 0.0° |
| N3 | C6 | C7 | H3 | 0.1° | 0.0° |
| N3 | C6 | C11 | H20 | 0.1° | 0.0° |
| C6 | N3 | C2 | H21 | 0.4° | 0.0° |
| C6 | C11 | C10 | H20 | 180.0° | 179.8° |
| C11 | C6 | C7 | N8 | 0.4° | 0.2° |
| C6 | C11 | C10 | C9 | 0.0° | 0.4° |
| C11 | C6 | C7 | H3 | 179.5° | 179.8° |
| C6 | C11 | C10 | H4 | 179.9° | 179.8° |
| C7 | C6 | C11 | C10 | 0.6° | 0.5° |
| C6 | C7 | N8 | H3 | 180.0° | 180.0° |
| C6 | C7 | N8 | C9 | 0.4° | 0.0° |
| C6 | C7 | N8 | C12 | 178.5° | 180.0° |
| C7 | C6 | C11 | H20 | 179.3° | 179.7° |
| C11 | C10 | C9 | H4 | 180.0° | 179.8° |
| C11 | C10 | C9 | N8 | 0.8° | 0.2° |
| C11 | C10 | C9 | N14 | 179.5° | 180.0° |
| C7 | N8 | C9 | C10 | 1.0° | 0.0° |
| C7 | N8 | C9 | C12 | 178.5° | 180.0° |
| C7 | N8 | C9 | N14 | 179.2° | 179.8° |
| C7 | N8 | C12 | C13 | 179.4° | 180.0° |
| C7 | N8 | C12 | H19 | 0.6° | 0.1° |
| C10 | C9 | N8 | N14 | 179.8° | 179.8° |
| C10 | C9 | N8 | C12 | 179.6° | 180.0° |
| C10 | C9 | N14 | C13 | 179.8° | 179.9° |
| C9 | C10 | C11 | H20 | 180.0° | 179.7° |
| C9 | N8 | C12 | C13 | 1.0° | 0.0° |
| N8 | C9 | N14 | C13 | 0.1° | 0.3° |
| C9 | N8 | C7 | H3 | 179.6° | 180.0° |
| N8 | C9 | C10 | H4 | 179.2° | 180.0° |
| C9 | N8 | C12 | H19 | 179.0° | 179.9° |
| C12 | N8 | C9 | N14 | 0.7° | 0.2° |
| N8 | C12 | C13 | H19 | 180.0° | 179.9° |
| N8 | C12 | C13 | N14 | 1.0° | 0.2° |
| N8 | C12 | C13 | N15 | 179.6° | 179.9° |
| C12 | N8 | C7 | H3 | 1.5° | 0.0° |
| C9 | N14 | C13 | C12 | 0.6° | 0.3° |
| C9 | N14 | C13 | N15 | 179.4° | 179.8° |
| N14 | C9 | C10 | H4 | 0.5° | 0.2° |
| C12 | C13 | N14 | N15 | 178.9° | 179.9° |
| C12 | C13 | N15 | C16 | 1.1° | 0.0° |
| C12 | C13 | N15 | H18 | 178.9° | 180.0° |
| N14 | C13 | N15 | C16 | 177.4° | 179.9° |
| N14 | C13 | N15 | H18 | 2.6° | 0.1° |
| N14 | C13 | C12 | H19 | 179.0° | 179.9° |
| C13 | N15 | C16 | O47 | 1.5° | 0.0° |
| C13 | N15 | C16 | H18 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 178.3° | 180.0° |
| N15 | C13 | C12 | H19 | 0.4° | 0.0° |
| O47 | C16 | N15 | C17 | 179.7° | 180.0° |
| O47 | C16 | C17 | C22 | 148.4° | 0.0° |
| O47 | C16 | C17 | C18 | 31.4° | 179.7° |
| O47 | C16 | N15 | H18 | 178.6° | 180.0° |
| N15 | C16 | C17 | C22 | 31.9° | 180.0° |
| N15 | C16 | C17 | C18 | 148.3° | 0.3° |
| C16 | C17 | C22 | C18 | 179.8° | 179.7° |
| C16 | C17 | C22 | C21 | 179.9° | 179.7° |
| C16 | C17 | C18 | C19 | 179.7° | 179.7° |
| C16 | C17 | C22 | H6 | 0.1° | 0.3° |
| C16 | C17 | C18 | H17 | 0.2° | 0.2° |
| C17 | C16 | N15 | H18 | 1.7° | 0.0° |
| C17 | C22 | C21 | H6 | 180.0° | 180.0° |
| C22 | C17 | C18 | C19 | 0.5° | 0.0° |
| C17 | C22 | C21 | C20 | 0.2° | 0.0° |
| C17 | C22 | C21 | H5 | 179.8° | 179.9° |
| C22 | C17 | C18 | H17 | 179.6° | 180.0° |
| C18 | C17 | C22 | C21 | 0.3° | 0.0° |
| C17 | C18 | C19 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.5° | 0.1° |
| C18 | C17 | C22 | H6 | 179.7° | 180.0° |
| C17 | C18 | C19 | H16 | 179.5° | 180.0° |
| C22 | C21 | C20 | H5 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.2° | 0.1° |
| C22 | C21 | C20 | C27 | 179.4° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.1° |
| C18 | C19 | C20 | H16 | 180.0° | 179.9° |
| C18 | C19 | C20 | C27 | 179.6° | 179.9° |
| C21 | C20 | C19 | C27 | 179.2° | 180.0° |
| C21 | C20 | C27 | C32 | 64.3° | 60.0° |
| C21 | C20 | C27 | C28 | 55.4° | 60.0° |
| C21 | C20 | C27 | C36 | 175.1° | 180.0° |
| C20 | C21 | C22 | H6 | 179.8° | 180.0° |
| C21 | C20 | C19 | H16 | 179.6° | 180.0° |
| C19 | C20 | C27 | C32 | 116.5° | 120.1° |
| C19 | C20 | C27 | C28 | 123.8° | 120.0° |
| C19 | C20 | C27 | C36 | 4.0° | 0.0° |
| C19 | C20 | C21 | H5 | 179.8° | 179.9° |
| C20 | C19 | C18 | H17 | 179.5° | 180.0° |
| C20 | C27 | C32 | C28 | 120.6° | 120.0° |
| C20 | C27 | C32 | C36 | 122.0° | 120.1° |
| C20 | C27 | C28 | C36 | 121.5° | 120.0° |
| C27 | C20 | C21 | H5 | 0.5° | 0.1° |
| C20 | C27 | C28 | H7 | 180.0° | 60.1° |
| C20 | C27 | C28 | H8 | 60.0° | 180.0° |
| C20 | C27 | C28 | H9 | 60.0° | 60.0° |
| C20 | C27 | C36 | H10 | 180.0° | 60.0° |
| C20 | C27 | C36 | H11 | 60.0° | 180.0° |
| C20 | C27 | C36 | H12 | 60.0° | 60.0° |
| C20 | C27 | C32 | H13 | 180.0° | 59.9° |
| C20 | C27 | C32 | H14 | 60.0° | 180.0° |
| C20 | C27 | C32 | H15 | 60.0° | 60.0° |
| C27 | C20 | C19 | H16 | 0.4° | 0.0° |
| C32 | C27 | C28 | C36 | 117.7° | 120.0° |
| C32 | C27 | C28 | H7 | 59.2° | 180.0° |
| C32 | C27 | C28 | H8 | 60.8° | 60.0° |
| C32 | C27 | C28 | H9 | 179.2° | 60.0° |
| C32 | C27 | C36 | H10 | 58.5° | 60.0° |
| C32 | C27 | C36 | H11 | 178.4° | 60.0° |
| C32 | C27 | C36 | H12 | 61.6° | 179.9° |
| C27 | C32 | H13 | H14 | 120.0° | 120.1° |
| C27 | C32 | H13 | H15 | 120.0° | 119.9° |
| C27 | C32 | H14 | H15 | 120.0° | 120.0° |
| C27 | C28 | H7 | H8 | 120.0° | 120.0° |
| C27 | C28 | H7 | H9 | 120.0° | 120.0° |
| C27 | C28 | H8 | H9 | 120.0° | 120.0° |
| C28 | C27 | C36 | H10 | 59.2° | 180.0° |
| C28 | C27 | C36 | H11 | 60.8° | 60.0° |
| C28 | C27 | C36 | H12 | 179.2° | 60.0° |
| C28 | C27 | C32 | H13 | 59.4° | 60.0° |
| C28 | C27 | C32 | H14 | 179.4° | 60.0° |
| C28 | C27 | C32 | H15 | 60.6° | 180.0° |
| C36 | C27 | C28 | H7 | 58.5° | 60.0° |
| C36 | C27 | C28 | H8 | 178.5° | 60.0° |
| C36 | C27 | C28 | H9 | 61.5° | 179.9° |
| C27 | C36 | H10 | H11 | 120.0° | 120.0° |
| C27 | C36 | H10 | H12 | 120.0° | 120.0° |
| C27 | C36 | H11 | H12 | 120.0° | 120.0° |
| C36 | C27 | C32 | H13 | 58.0° | 180.0° |
| C36 | C27 | C32 | H14 | 62.0° | 59.9° |
| C36 | C27 | C32 | H15 | 178.0° | 60.1° |
| H1 | C4 | C5 | H2 | 0.3° | 0.0° |
| H4 | C10 | C11 | H20 | 0.1° | 0.0° |
| H5 | C21 | C22 | H6 | 0.2° | 0.1° |
| H7 | C28 | H8 | H9 | 120.0° | 120.0° |
| H10 | C36 | H11 | H12 | 120.0° | 120.0° |
| H13 | C32 | H14 | H15 | 120.0° | 120.0° |
| H16 | C19 | C18 | H17 | 0.5° | 0.1° |
