M7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C17 | N13 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| N10 | O11 | sing | 1.42Å | 1.42Å | |
| N10 | C9 | sing | 1.35Å | 1.34Å | |
| C16 | N15 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.46Å | 1.47Å | |
| C8 | C7 | doub | 1.35Å | 1.38Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | N13 | sing | 1.39Å | 1.38Å | |
| C5 | C7 | sing | 1.47Å | 1.51Å | |
| N13 | C14 | sing | 1.34Å | 1.34Å | |
| C9 | O12 | doub | 1.22Å | 1.23Å | |
| N15 | C14 | sing | 1.34Å | 1.34Å | |
| N15 | C21 | sing | 1.46Å | 1.47Å | |
| C14 | O20 | doub | 1.22Å | 1.22Å | |
| C22 | C21 | sing | 1.54Å | 1.55Å | |
| C22 | C23 | sing | 1.55Å | 1.55Å | |
| C21 | C25 | sing | 1.54Å | 1.55Å | |
| C23 | C24 | sing | 1.55Å | 1.55Å | |
| C25 | C24 | sing | 1.54Å | 1.54Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å | |
| O11 | H13 | sing | 0.97Å | 0.95Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C19 | 107.4° | 110.6° |
| C18 | C17 | C16 | 113.5° | 110.5° |
| C18 | C17 | N13 | 112.1° | 110.6° |
| C17 | C18 | H16 | 109.5° | 109.5° |
| C17 | C18 | H17 | 109.5° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C19 | C17 | C16 | 108.8° | 110.5° |
| C19 | C17 | N13 | 113.1° | 110.6° |
| C17 | C19 | H19 | 109.5° | 109.5° |
| C17 | C19 | H20 | 109.5° | 109.5° |
| C17 | C19 | H21 | 109.5° | 109.5° |
| C16 | C17 | N13 | 101.9° | 103.9° |
| C17 | C16 | N15 | 105.3° | 103.9° |
| C17 | C16 | H14 | 110.5° | 110.6° |
| C17 | C16 | H15 | 110.5° | 110.5° |
| C17 | N13 | C4 | 121.8° | 125.4° |
| C17 | N13 | C14 | 111.2° | 109.2° |
| C1 | C2 | C3 | 119.2° | 120.5° |
| C2 | C1 | C6 | 120.5° | 120.3° |
| C2 | C1 | H9 | 119.7° | 119.8° |
| C1 | C2 | H10 | 120.4° | 119.8° |
| C2 | C3 | C4 | 121.5° | 120.0° |
| C3 | C2 | H10 | 120.4° | 119.7° |
| C2 | C3 | H11 | 119.3° | 120.0° |
| C1 | C6 | C5 | 122.5° | 119.9° |
| C1 | C6 | H1 | 118.7° | 120.0° |
| C6 | C1 | H9 | 119.8° | 119.9° |
| C3 | C4 | C5 | 121.2° | 119.7° |
| C3 | C4 | N13 | 115.5° | 120.1° |
| C4 | C3 | H11 | 119.3° | 120.0° |
| O11 | N10 | C9 | 117.4° | 120.0° |
| O11 | N10 | H12 | 121.3° | 120.0° |
| N10 | O11 | H13 | 109.5° | 114.0° |
| N10 | C9 | C8 | 120.4° | 120.0° |
| N10 | C9 | O12 | 114.0° | 120.0° |
| C9 | N10 | H12 | 121.3° | 120.0° |
| C16 | N15 | C14 | 109.1° | 109.2° |
| C16 | N15 | C21 | 119.8° | 125.4° |
| N15 | C16 | H14 | 110.5° | 110.6° |
| N15 | C16 | H15 | 110.5° | 110.6° |
| C6 | C5 | C4 | 115.1° | 119.5° |
| C6 | C5 | C7 | 115.5° | 120.3° |
| C5 | C6 | H1 | 118.7° | 120.1° |
| C9 | C8 | C7 | 124.5° | 120.0° |
| C8 | C9 | O12 | 125.5° | 120.0° |
| C9 | C8 | H3 | 117.8° | 120.0° |
| C8 | C7 | C5 | 122.6° | 120.0° |
| C8 | C7 | H2 | 118.7° | 120.0° |
| C7 | C8 | H3 | 117.7° | 120.0° |
| C5 | C4 | N13 | 123.3° | 120.2° |
| C4 | C5 | C7 | 129.3° | 120.2° |
| C4 | N13 | C14 | 127.0° | 125.4° |
| C5 | C7 | H2 | 118.7° | 120.0° |
| N13 | C14 | N15 | 112.4° | 113.9° |
| N13 | C14 | O20 | 121.7° | 123.0° |
| C14 | N15 | C21 | 131.0° | 125.4° |
| N15 | C14 | O20 | 125.9° | 123.1° |
| N15 | C21 | C22 | 109.7° | 110.0° |
| N15 | C21 | C25 | 116.7° | 110.1° |
| N15 | C21 | H4 | 109.1° | 110.0° |
| C21 | C22 | C23 | 105.3° | 104.2° |
| C22 | C21 | C25 | 104.8° | 106.6° |
| C22 | C21 | H4 | 108.1° | 110.0° |
| C21 | C22 | H5 | 110.5° | 110.5° |
| C21 | C22 | H6 | 110.5° | 110.6° |
| C22 | C23 | C24 | 105.5° | 102.8° |
| C23 | C22 | H5 | 110.5° | 110.4° |
| C23 | C22 | H6 | 110.5° | 110.5° |
| C22 | C23 | H22 | 110.4° | 110.8° |
| C22 | C23 | H23 | 110.5° | 110.7° |
| C21 | C25 | C24 | 100.8° | 106.6° |
| C25 | C21 | H4 | 108.1° | 110.1° |
| C21 | C25 | H24 | 111.6° | 110.1° |
| C21 | C25 | H25 | 111.6° | 110.1° |
| C23 | C24 | C25 | 101.7° | 104.2° |
| C23 | C24 | H7 | 111.4° | 110.5° |
| C23 | C24 | H8 | 111.4° | 110.5° |
| C24 | C23 | H22 | 110.5° | 110.8° |
| C24 | C23 | H23 | 110.4° | 110.8° |
| C25 | C24 | H7 | 111.4° | 110.5° |
| C25 | C24 | H8 | 111.4° | 110.6° |
| C24 | C25 | H24 | 111.6° | 110.0° |
| C24 | C25 | H25 | 111.6° | 110.0° |
| H5 | C22 | H6 | 109.5° | 110.6° |
| H7 | C24 | H8 | 109.5° | 110.4° |
| H14 | C16 | H15 | 109.5° | 110.6° |
| H16 | C18 | H17 | 109.4° | 109.4° |
| H16 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H22 | C23 | H23 | 109.5° | 110.8° |
| H24 | C25 | H25 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C19 | C16 | 123.2° | 122.8° |
| C18 | C17 | C19 | N13 | 124.3° | 122.8° |
| C18 | C17 | C16 | N13 | 120.7° | 118.6° |
| C18 | C17 | C16 | N15 | 119.2° | 118.6° |
| C18 | C17 | N13 | C4 | 61.6° | 61.4° |
| C18 | C17 | N13 | C14 | 120.1° | 118.6° |
| C18 | C17 | C16 | H14 | 121.5° | 122.7° |
| C18 | C17 | C16 | H15 | 0.2° | 0.0° |
| C17 | C18 | H16 | H17 | 120.0° | 120.0° |
| C17 | C18 | H16 | H18 | 120.0° | 120.0° |
| C17 | C18 | H17 | H18 | 120.0° | 120.0° |
| C18 | C17 | C19 | H19 | 180.0° | 177.3° |
| C18 | C17 | C19 | H20 | 60.0° | 57.2° |
| C18 | C17 | C19 | H21 | 60.0° | 62.7° |
| C19 | C17 | C16 | N13 | 119.7° | 118.6° |
| C19 | C17 | C16 | N15 | 121.3° | 118.6° |
| C19 | C17 | N13 | C4 | 60.1° | 61.4° |
| C19 | C17 | N13 | C14 | 118.2° | 118.6° |
| C19 | C17 | C16 | H14 | 1.9° | 0.1° |
| C19 | C17 | C16 | H15 | 119.4° | 122.8° |
| C19 | C17 | C18 | H16 | 180.0° | 62.7° |
| C19 | C17 | C18 | H17 | 60.0° | 57.2° |
| C19 | C17 | C18 | H18 | 60.0° | 177.2° |
| C17 | C19 | H19 | H20 | 120.0° | 120.1° |
| C17 | C19 | H19 | H21 | 120.0° | 120.0° |
| C17 | C19 | H20 | H21 | 120.0° | 120.0° |
| C17 | C16 | N15 | H14 | 119.3° | 118.6° |
| C17 | C16 | N15 | H15 | 119.3° | 118.5° |
| C16 | C17 | N13 | C4 | 176.7° | 180.0° |
| C16 | C17 | N13 | C14 | 1.6° | 0.0° |
| C17 | C16 | N15 | C14 | 1.2° | 0.0° |
| C17 | C16 | N15 | C21 | 178.6° | 179.9° |
| C17 | C16 | H14 | H15 | 121.9° | 122.7° |
| C16 | C17 | C18 | H16 | 59.7° | 60.0° |
| C16 | C17 | C18 | H17 | 60.3° | 180.0° |
| C16 | C17 | C18 | H18 | 179.7° | 60.0° |
| C16 | C17 | C19 | H19 | 56.8° | 60.0° |
| C16 | C17 | C19 | H20 | 176.8° | 180.0° |
| C16 | C17 | C19 | H21 | 63.2° | 60.0° |
| C17 | N13 | C4 | C3 | 90.4° | 89.7° |
| N13 | C17 | C16 | N15 | 1.6° | 0.0° |
| C17 | N13 | C4 | C5 | 85.7° | 90.0° |
| C17 | N13 | C4 | C14 | 178.0° | 180.0° |
| C17 | N13 | C14 | N15 | 0.9° | 0.0° |
| C17 | N13 | C14 | O20 | 179.7° | 179.9° |
| N13 | C17 | C16 | H14 | 117.8° | 118.6° |
| N13 | C17 | C16 | H15 | 120.9° | 118.6° |
| N13 | C17 | C18 | H16 | 55.1° | 174.5° |
| N13 | C17 | C18 | H17 | 175.1° | 65.6° |
| N13 | C17 | C18 | H18 | 64.9° | 54.4° |
| N13 | C17 | C19 | H19 | 55.7° | 54.5° |
| N13 | C17 | C19 | H20 | 64.3° | 65.6° |
| N13 | C17 | C19 | H21 | 175.7° | 174.5° |
| C1 | C2 | C3 | H10 | 180.0° | 179.7° |
| C2 | C1 | C6 | H9 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.6° |
| C2 | C1 | C6 | C5 | 0.6° | 0.1° |
| C2 | C1 | C6 | H1 | 179.4° | 180.0° |
| C1 | C2 | C3 | H11 | 179.5° | 180.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.4° |
| C2 | C3 | C4 | H11 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 1.8° | 0.6° |
| C2 | C3 | C4 | N13 | 178.1° | 179.7° |
| C3 | C2 | C1 | H9 | 179.9° | 179.7° |
| C1 | C6 | C5 | H1 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 1.9° | 0.1° |
| C1 | C6 | C5 | C7 | 178.2° | 180.0° |
| C6 | C1 | C2 | H10 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 2.5° | 0.3° |
| C3 | C4 | C5 | N13 | 175.9° | 179.7° |
| C3 | C4 | C5 | C7 | 178.2° | 179.8° |
| C3 | C4 | N13 | C14 | 91.6° | 90.3° |
| C4 | C3 | C2 | H10 | 179.5° | 179.7° |
| O11 | N10 | C9 | H12 | 180.0° | 179.9° |
| O11 | N10 | C9 | C8 | 177.5° | 180.0° |
| O11 | N10 | C9 | O12 | 0.2° | 0.0° |
| N10 | C9 | C8 | O12 | 177.5° | 180.0° |
| N10 | C9 | C8 | C7 | 178.5° | 180.0° |
| N10 | C9 | C8 | H3 | 1.5° | 0.0° |
| C9 | N10 | O11 | H13 | 0.1° | 180.0° |
| C16 | N15 | C14 | N13 | 0.2° | 0.0° |
| C16 | N15 | C14 | C21 | 177.0° | 179.9° |
| C16 | N15 | C14 | O20 | 179.1° | 179.9° |
| C16 | N15 | C21 | C22 | 67.1° | 55.6° |
| C16 | N15 | C21 | C25 | 174.0° | 61.7° |
| C16 | N15 | C21 | H4 | 51.2° | 176.9° |
| N15 | C16 | H14 | H15 | 121.9° | 122.8° |
| C6 | C5 | C7 | C8 | 44.8° | 0.1° |
| C6 | C5 | C4 | C7 | 175.7° | 179.9° |
| C6 | C5 | C4 | N13 | 178.4° | 180.0° |
| C6 | C5 | C7 | H2 | 135.2° | 179.9° |
| C5 | C6 | C1 | H9 | 179.3° | 180.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C5 | 176.2° | 180.0° |
| C9 | C8 | C7 | H2 | 3.8° | 0.0° |
| C8 | C9 | N10 | H12 | 2.5° | 0.0° |
| C8 | C7 | C5 | C4 | 139.5° | 180.0° |
| C8 | C7 | C5 | H2 | 180.0° | 179.9° |
| C7 | C8 | C9 | O12 | 1.1° | 0.0° |
| C5 | C4 | N13 | C14 | 92.2° | 90.0° |
| C4 | C5 | C6 | H1 | 178.1° | 180.0° |
| C4 | C5 | C7 | H2 | 40.5° | 0.0° |
| C5 | C4 | C3 | H11 | 178.1° | 180.0° |
| N13 | C4 | C5 | C7 | 5.9° | 0.1° |
| C4 | N13 | C14 | N15 | 177.2° | 180.0° |
| C4 | N13 | C14 | O20 | 2.1° | 0.0° |
| N13 | C4 | C3 | H11 | 1.9° | 0.3° |
| C7 | C5 | C6 | H1 | 1.8° | 0.1° |
| C5 | C7 | C8 | H3 | 3.8° | 0.1° |
| N13 | C14 | N15 | O20 | 179.3° | 180.0° |
| N13 | C14 | N15 | C21 | 177.2° | 179.9° |
| O12 | C9 | C8 | H3 | 178.9° | 180.0° |
| O12 | C9 | N10 | H12 | 179.8° | 180.0° |
| C14 | N15 | C21 | C22 | 116.2° | 124.5° |
| C14 | N15 | C21 | C25 | 2.8° | 118.2° |
| C14 | N15 | C21 | H4 | 125.5° | 3.2° |
| C14 | N15 | C16 | H14 | 118.2° | 118.7° |
| C14 | N15 | C16 | H15 | 120.5° | 118.5° |
| C21 | N15 | C14 | O20 | 2.1° | 0.0° |
| N15 | C21 | C22 | C25 | 126.0° | 119.3° |
| N15 | C21 | C22 | H4 | 118.9° | 121.3° |
| N15 | C21 | C22 | C23 | 145.0° | 95.8° |
| N15 | C21 | C25 | H4 | 123.3° | 121.4° |
| N15 | C21 | C25 | C24 | 162.2° | 119.3° |
| N15 | C21 | C22 | H5 | 95.6° | 145.6° |
| N15 | C21 | C22 | H6 | 25.7° | 22.9° |
| C21 | N15 | C16 | H14 | 59.3° | 61.4° |
| C21 | N15 | C16 | H15 | 62.1° | 61.4° |
| N15 | C21 | C25 | H24 | 43.6° | 0.1° |
| N15 | C21 | C25 | H25 | 79.3° | 121.4° |
| C21 | C22 | C23 | H5 | 119.4° | 118.6° |
| C21 | C22 | C23 | H6 | 119.3° | 118.8° |
| C22 | C21 | C25 | H4 | 115.1° | 119.3° |
| C21 | C22 | C23 | C24 | 10.0° | 37.9° |
| C22 | C21 | C25 | C24 | 40.6° | 0.0° |
| C21 | C22 | H5 | H6 | 121.9° | 122.7° |
| C21 | C22 | C23 | H22 | 129.4° | 156.2° |
| C21 | C22 | C23 | H23 | 109.4° | 80.4° |
| C22 | C21 | C25 | H24 | 77.9° | 119.2° |
| C22 | C21 | C25 | H25 | 159.2° | 119.3° |
| C23 | C22 | C21 | C25 | 19.1° | 23.6° |
| C22 | C23 | C24 | H22 | 119.4° | 118.4° |
| C22 | C23 | C24 | H23 | 119.4° | 118.2° |
| C22 | C23 | C24 | C25 | 35.1° | 37.9° |
| C23 | C22 | C21 | H4 | 96.1° | 142.9° |
| C23 | C22 | H5 | H6 | 121.9° | 122.6° |
| C22 | C23 | C24 | H7 | 83.7° | 80.8° |
| C22 | C23 | C24 | H8 | 153.8° | 156.7° |
| C22 | C23 | H22 | H23 | 121.8° | 123.3° |
| C21 | C25 | C24 | C23 | 46.2° | 23.6° |
| C21 | C25 | C24 | H24 | 118.6° | 119.3° |
| C21 | C25 | C24 | H25 | 118.6° | 119.3° |
| C25 | C21 | C22 | H5 | 138.4° | 95.0° |
| C25 | C21 | C22 | H6 | 100.3° | 142.3° |
| C21 | C25 | C24 | H7 | 72.6° | 95.1° |
| C21 | C25 | C24 | H8 | 164.9° | 142.4° |
| C21 | C25 | H24 | H25 | 124.1° | 121.5° |
| C23 | C24 | C25 | H7 | 118.8° | 118.7° |
| C23 | C24 | C25 | H8 | 118.7° | 118.8° |
| C24 | C23 | C22 | H5 | 109.4° | 80.7° |
| C24 | C23 | C22 | H6 | 129.3° | 156.6° |
| C23 | C24 | H7 | H8 | 123.6° | 122.6° |
| C24 | C23 | H22 | H23 | 121.8° | 123.3° |
| C23 | C24 | C25 | H24 | 72.4° | 95.7° |
| C23 | C24 | C25 | H25 | 164.8° | 142.9° |
| C24 | C25 | C21 | H4 | 74.5° | 119.3° |
| C25 | C24 | H7 | H8 | 123.6° | 122.6° |
| C25 | C24 | C23 | H22 | 154.4° | 156.3° |
| C25 | C24 | C23 | H23 | 84.3° | 80.4° |
| C24 | C25 | H24 | H25 | 124.0° | 121.4° |
| H1 | C6 | C1 | H9 | 0.7° | 0.1° |
| H2 | C7 | C8 | H3 | 176.2° | 180.0° |
| H4 | C21 | C22 | H5 | 23.3° | 24.3° |
| H4 | C21 | C22 | H6 | 144.6° | 98.4° |
| H4 | C21 | C25 | H24 | 166.9° | 121.5° |
| H4 | C21 | C25 | H25 | 44.0° | 0.0° |
| H5 | C22 | C23 | H22 | 10.0° | 37.6° |
| H5 | C22 | C23 | H23 | 131.3° | 161.0° |
| H6 | C22 | C23 | H22 | 111.3° | 85.0° |
| H6 | C22 | C23 | H23 | 9.9° | 38.4° |
| H7 | C24 | C23 | H22 | 35.7° | 37.6° |
| H7 | C24 | C23 | H23 | 157.0° | 161.0° |
| H7 | C24 | C25 | H24 | 168.8° | 145.6° |
| H7 | C24 | C25 | H25 | 46.0° | 24.2° |
| H8 | C24 | C23 | H22 | 86.8° | 84.9° |
| H8 | C24 | C23 | H23 | 34.5° | 38.4° |
| H8 | C24 | C25 | H24 | 46.3° | 23.1° |
| H8 | C24 | C25 | H25 | 76.5° | 98.3° |
| H9 | C1 | C2 | H10 | 0.1° | 0.1° |
| H10 | C2 | C3 | H11 | 0.5° | 0.3° |
| H12 | N10 | O11 | H13 | 179.8° | 0.1° |
| H16 | C18 | H17 | H18 | 119.9° | 120.0° |
| H19 | C19 | H20 | H21 | 120.0° | 120.0° |
