M4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.50Å | 1.50Å | |
| C10 | C1 | doub | 1.32Å | 1.32Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C1 | C2 | sing | 1.50Å | 1.50Å | |
| C2 | C3 | sing | 1.55Å | 1.55Å | |
| C8 | C7 | sing | 1.54Å | 1.54Å | |
| C15 | C4 | sing | 1.50Å | 1.50Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.47Å | 1.47Å | |
| C4 | O3 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C7 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.49Å | 1.49Å | |
| C6 | O1 | sing | 1.46Å | 1.46Å | |
| C5 | O3 | sing | 1.44Å | 1.44Å | |
| C11 | C13 | doub | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.50Å | 1.50Å | |
| O1 | C12 | sing | 1.34Å | 1.34Å | |
| C12 | O2 | doub | 1.20Å | 1.20Å | |
| C13 | H13C | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H14B | sing | 1.10Å | 1.10Å | |
| C14 | H14C | sing | 1.10Å | 1.10Å | |
| C14 | H14A | sing | 1.10Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H15B | sing | 1.10Å | 1.10Å | |
| C15 | H15C | sing | 1.10Å | 1.10Å | |
| C15 | H15A | sing | 1.10Å | 1.10Å | |
| C2 | H2A | sing | 1.10Å | 1.10Å | |
| C2 | H2B | sing | 1.10Å | 1.10Å | |
| C3 | H3B | sing | 1.10Å | 1.10Å | |
| C3 | H3A | sing | 1.10Å | 1.10Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C8 | H8A | sing | 1.10Å | 1.10Å | |
| C8 | H8B | sing | 1.10Å | 1.10Å | |
| C9 | H9A | sing | 1.10Å | 1.10Å | |
| C9 | H9B | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C10 | C9 | 114.4° | 114.4° |
| C14 | C10 | C1 | 124.8° | 124.8° |
| C10 | C14 | H14B | 109.5° | 109.5° |
| C10 | C14 | H14C | 109.5° | 109.5° |
| C10 | C14 | H14A | 109.5° | 109.5° |
| C9 | C10 | C1 | 120.2° | 120.2° |
| C10 | C9 | C8 | 112.8° | 112.8° |
| C10 | C9 | H9A | 108.6° | 108.6° |
| C10 | C9 | H9B | 108.6° | 108.6° |
| C10 | C1 | C2 | 126.8° | 126.8° |
| C10 | C1 | H1 | 116.6° | 116.6° |
| C9 | C8 | C7 | 117.0° | 117.0° |
| C9 | C8 | H8A | 107.6° | 107.6° |
| C9 | C8 | H8B | 107.5° | 107.5° |
| C8 | C9 | H9A | 108.6° | 108.6° |
| C8 | C9 | H9B | 108.6° | 108.6° |
| C1 | C2 | C3 | 111.5° | 111.5° |
| C2 | C1 | H1 | 116.6° | 116.6° |
| C1 | C2 | H2A | 109.0° | 109.0° |
| C1 | C2 | H2B | 109.0° | 109.0° |
| C2 | C3 | C4 | 112.1° | 112.1° |
| C3 | C2 | H2A | 108.9° | 108.9° |
| C3 | C2 | H2B | 109.0° | 109.0° |
| C2 | C3 | H3B | 108.8° | 108.8° |
| C2 | C3 | H3A | 108.8° | 108.8° |
| C8 | C7 | C6 | 117.5° | 117.5° |
| C8 | C7 | C11 | 110.5° | 110.5° |
| C8 | C7 | H7 | 108.5° | 108.5° |
| C7 | C8 | H8A | 107.5° | 107.5° |
| C7 | C8 | H8B | 107.6° | 107.6° |
| C15 | C4 | C3 | 116.7° | 116.7° |
| C15 | C4 | C5 | 123.6° | 123.6° |
| C15 | C4 | O3 | 113.3° | 113.3° |
| C4 | C15 | H15B | 109.5° | 109.5° |
| C4 | C15 | H15C | 109.5° | 109.5° |
| C4 | C15 | H15A | 109.5° | 109.5° |
| C3 | C4 | C5 | 114.8° | 114.8° |
| C3 | C4 | O3 | 116.3° | 116.3° |
| C4 | C3 | H3B | 108.8° | 108.8° |
| C4 | C3 | H3A | 108.8° | 108.8° |
| C5 | C4 | O3 | 58.8° | 58.8° |
| C4 | C5 | C6 | 125.5° | 125.5° |
| C4 | C5 | O3 | 60.2° | 60.2° |
| C4 | C5 | H5 | 113.7° | 113.7° |
| C4 | O3 | C5 | 61.0° | 61.0° |
| C6 | C7 | C11 | 102.9° | 102.9° |
| C7 | C6 | C5 | 113.4° | 113.4° |
| C7 | C6 | O1 | 103.2° | 103.2° |
| C7 | C6 | H6 | 110.5° | 110.6° |
| C6 | C7 | H7 | 108.5° | 108.5° |
| C7 | C11 | C13 | 118.2° | 118.2° |
| C7 | C11 | C12 | 103.4° | 103.4° |
| C11 | C7 | H7 | 108.6° | 108.6° |
| C5 | C6 | O1 | 106.3° | 106.3° |
| C6 | C5 | O3 | 119.5° | 119.5° |
| C6 | C5 | H5 | 113.5° | 113.5° |
| C5 | C6 | H6 | 111.3° | 111.3° |
| C6 | O1 | C12 | 109.7° | 109.7° |
| O1 | C6 | H6 | 111.7° | 111.7° |
| O3 | C5 | H5 | 114.3° | 114.3° |
| C13 | C11 | C12 | 111.6° | 111.6° |
| C11 | C13 | H13C | 120.0° | 120.0° |
| C11 | C13 | H2 | 120.0° | 120.0° |
| C11 | C12 | O1 | 110.8° | 110.8° |
| C11 | C12 | O2 | 128.3° | 128.3° |
| O1 | C12 | O2 | 120.9° | 120.9° |
| H13C | C13 | H2 | 120.0° | 120.0° |
| H14B | C14 | H14C | 109.4° | 109.4° |
| H14B | C14 | H14A | 109.5° | 109.5° |
| H14C | C14 | H14A | 109.5° | 109.5° |
| H15B | C15 | H15C | 109.5° | 109.5° |
| H15B | C15 | H15A | 109.5° | 109.4° |
| H15C | C15 | H15A | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H3B | C3 | H3A | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C10 | C9 | C1 | 171.2° | 171.2° |
| C14 | C10 | C9 | C8 | 66.0° | 66.0° |
| C14 | C10 | C1 | C2 | 27.7° | 27.7° |
| C10 | C14 | H14B | H14C | 120.0° | 120.0° |
| C10 | C14 | H14B | H14A | 120.0° | 120.0° |
| C10 | C14 | H14C | H14A | 120.0° | 120.0° |
| C14 | C10 | C1 | H1 | 152.3° | 152.2° |
| C14 | C10 | C9 | H9A | 173.5° | 173.5° |
| C14 | C10 | C9 | H9B | 54.5° | 54.5° |
| C10 | C9 | C8 | H9A | 120.5° | 120.5° |
| C10 | C9 | C8 | H9B | 120.5° | 120.5° |
| C9 | C10 | C1 | C2 | 162.1° | 162.1° |
| C10 | C9 | C8 | C7 | 73.0° | 73.0° |
| C9 | C10 | C14 | H14B | 180.0° | 180.0° |
| C9 | C10 | C14 | H14C | 60.0° | 60.0° |
| C9 | C10 | C14 | H14A | 60.0° | 60.0° |
| C9 | C10 | C1 | H1 | 17.9° | 18.0° |
| C10 | C9 | C8 | H8A | 165.9° | 165.9° |
| C10 | C9 | C8 | H8B | 48.0° | 48.0° |
| C10 | C9 | H9A | H9B | 118.4° | 118.5° |
| C1 | C10 | C9 | C8 | 122.8° | 122.8° |
| C10 | C1 | C2 | H1 | 180.0° | 180.0° |
| C10 | C1 | C2 | C3 | 91.9° | 91.9° |
| C1 | C10 | C14 | H14B | 9.3° | 9.3° |
| C1 | C10 | C14 | H14C | 129.3° | 129.3° |
| C1 | C10 | C14 | H14A | 110.7° | 110.7° |
| C10 | C1 | C2 | H2A | 28.3° | 28.3° |
| C10 | C1 | C2 | H2B | 147.8° | 147.8° |
| C1 | C10 | C9 | H9A | 2.3° | 2.3° |
| C1 | C10 | C9 | H9B | 116.7° | 116.7° |
| C9 | C8 | C7 | H8A | 121.1° | 121.1° |
| C9 | C8 | C7 | H8B | 121.1° | 121.1° |
| C9 | C8 | C7 | C6 | 84.2° | 84.2° |
| C9 | C8 | C7 | C11 | 158.3° | 158.3° |
| C9 | C8 | C7 | H7 | 39.3° | 39.3° |
| C9 | C8 | H8A | H8B | 116.6° | 116.6° |
| C8 | C9 | H9A | H9B | 118.5° | 118.5° |
| C1 | C2 | C3 | H2A | 120.3° | 120.3° |
| C1 | C2 | C3 | H2B | 120.3° | 120.3° |
| C1 | C2 | C3 | C4 | 58.8° | 58.8° |
| C1 | C2 | H2A | H2B | 119.1° | 119.1° |
| C1 | C2 | C3 | H3B | 179.2° | 179.2° |
| C1 | C2 | C3 | H3A | 61.6° | 61.6° |
| C2 | C3 | C4 | C15 | 64.6° | 64.6° |
| C2 | C3 | C4 | H3B | 120.4° | 120.4° |
| C2 | C3 | C4 | H3A | 120.4° | 120.4° |
| C2 | C3 | C4 | C5 | 91.5° | 91.5° |
| C2 | C3 | C4 | O3 | 157.4° | 157.4° |
| C3 | C2 | C1 | H1 | 88.0° | 88.1° |
| C3 | C2 | H2A | H2B | 119.1° | 119.1° |
| C2 | C3 | H3B | H3A | 118.8° | 118.8° |
| C8 | C7 | C6 | C11 | 121.5° | 121.5° |
| C8 | C7 | C6 | H7 | 123.5° | 123.5° |
| C8 | C7 | C11 | H7 | 118.9° | 118.9° |
| C8 | C7 | C6 | C5 | 93.2° | 93.2° |
| C8 | C7 | C6 | O1 | 152.2° | 152.2° |
| C8 | C7 | C11 | C13 | 87.8° | 87.8° |
| C8 | C7 | C11 | C12 | 148.3° | 148.3° |
| C8 | C7 | C6 | H6 | 32.6° | 32.6° |
| C7 | C8 | H8A | H8B | 116.6° | 116.6° |
| C7 | C8 | C9 | H9A | 47.4° | 47.4° |
| C7 | C8 | C9 | H9B | 166.5° | 166.4° |
| C15 | C4 | C3 | C5 | 156.1° | 156.1° |
| C15 | C4 | C3 | O3 | 138.0° | 138.0° |
| C15 | C4 | C5 | O3 | 98.9° | 98.9° |
| C15 | C4 | C5 | C6 | 7.8° | 7.8° |
| C4 | C15 | H15B | H15C | 120.0° | 120.0° |
| C4 | C15 | H15B | H15A | 120.0° | 120.0° |
| C4 | C15 | H15C | H15A | 120.0° | 120.0° |
| C15 | C4 | C3 | H3B | 55.8° | 55.8° |
| C15 | C4 | C3 | H3A | 175.1° | 175.1° |
| C15 | C4 | C5 | H5 | 155.7° | 155.7° |
| C3 | C4 | C5 | O3 | 106.9° | 106.9° |
| C3 | C4 | C5 | C6 | 146.4° | 146.4° |
| C3 | C4 | C15 | H15B | 180.0° | 180.0° |
| C3 | C4 | C15 | H15C | 60.0° | 60.0° |
| C3 | C4 | C15 | H15A | 60.0° | 60.0° |
| C4 | C3 | C2 | H2A | 61.5° | 61.5° |
| C4 | C3 | C2 | H2B | 179.1° | 179.1° |
| C4 | C3 | H3B | H3A | 118.8° | 118.8° |
| C3 | C4 | C5 | H5 | 1.5° | 1.5° |
| C4 | C5 | C6 | C7 | 128.7° | 128.7° |
| C4 | C5 | C6 | O3 | 72.6° | 72.6° |
| C4 | C5 | C6 | H5 | 147.9° | 147.9° |
| C4 | C5 | C6 | O1 | 118.5° | 118.5° |
| C4 | C5 | O3 | H5 | 104.5° | 104.5° |
| C5 | C4 | C15 | H15B | 26.2° | 26.2° |
| C5 | C4 | C15 | H15C | 93.8° | 93.8° |
| C5 | C4 | C15 | H15A | 146.2° | 146.2° |
| C5 | C4 | C3 | H3B | 148.1° | 148.1° |
| C5 | C4 | C3 | H3A | 28.9° | 28.9° |
| C4 | C5 | C6 | H6 | 3.4° | 3.3° |
| O3 | C4 | C15 | H15B | 40.8° | 40.8° |
| O3 | C4 | C15 | H15C | 160.8° | 160.8° |
| O3 | C4 | C15 | H15A | 79.2° | 79.2° |
| O3 | C4 | C3 | H3B | 82.2° | 82.2° |
| O3 | C4 | C3 | H3A | 37.0° | 37.0° |
| C6 | C7 | C11 | H7 | 114.9° | 114.9° |
| C7 | C6 | C5 | O1 | 112.8° | 112.8° |
| C7 | C6 | C5 | H6 | 125.4° | 125.4° |
| C7 | C6 | O1 | H6 | 118.8° | 118.8° |
| C7 | C6 | C5 | O3 | 158.7° | 158.7° |
| C6 | C7 | C11 | C13 | 146.0° | 146.0° |
| C6 | C7 | C11 | C12 | 22.1° | 22.1° |
| C7 | C6 | O1 | C12 | 29.1° | 29.1° |
| C7 | C6 | C5 | H5 | 19.2° | 19.2° |
| C6 | C7 | C8 | H8A | 154.7° | 154.7° |
| C6 | C7 | C8 | H8B | 36.9° | 36.9° |
| C11 | C7 | C6 | C5 | 145.3° | 145.3° |
| C11 | C7 | C6 | O1 | 30.7° | 30.7° |
| C7 | C11 | C13 | C12 | 119.8° | 119.8° |
| C7 | C11 | C12 | O1 | 5.4° | 5.4° |
| C7 | C11 | C12 | O2 | 174.3° | 174.3° |
| C7 | C11 | C13 | H13C | 119.8° | 119.8° |
| C7 | C11 | C13 | H2 | 60.2° | 60.2° |
| C11 | C7 | C6 | H6 | 88.9° | 88.9° |
| C11 | C7 | C8 | H8A | 37.2° | 37.2° |
| C11 | C7 | C8 | H8B | 80.7° | 80.7° |
| C5 | C6 | O1 | H6 | 121.6° | 121.6° |
| C6 | C5 | O3 | H5 | 139.2° | 139.2° |
| C5 | C6 | O1 | C12 | 148.8° | 148.8° |
| C5 | C6 | C7 | H7 | 30.3° | 30.3° |
| O1 | C6 | C5 | O3 | 45.9° | 45.9° |
| C6 | O1 | C12 | C11 | 15.3° | 15.3° |
| C6 | O1 | C12 | O2 | 165.0° | 165.0° |
| O1 | C6 | C5 | H5 | 93.6° | 93.6° |
| O1 | C6 | C7 | H7 | 84.3° | 84.3° |
| O3 | C5 | C6 | H6 | 76.0° | 75.9° |
| C13 | C11 | C12 | O1 | 133.5° | 133.5° |
| C13 | C11 | C12 | O2 | 46.2° | 46.2° |
| C11 | C13 | H13C | H2 | 180.0° | 180.0° |
| C13 | C11 | C7 | H7 | 31.1° | 31.1° |
| C11 | C12 | O1 | O2 | 179.7° | 179.7° |
| C12 | C11 | C13 | H13C | 0.0° | 0.0° |
| C12 | C11 | C13 | H2 | 180.0° | 180.0° |
| C12 | C11 | C7 | H7 | 92.8° | 92.8° |
| C12 | O1 | C6 | H6 | 89.6° | 89.7° |
| H14B | C14 | H14C | H14A | 120.0° | 120.0° |
| H1 | C1 | C2 | H2A | 151.7° | 151.6° |
| H1 | C1 | C2 | H2B | 32.3° | 32.2° |
| H15B | C15 | H15C | H15A | 120.0° | 119.9° |
| H2A | C2 | C3 | H3B | 58.9° | 58.9° |
| H2A | C2 | C3 | H3A | 178.1° | 178.1° |
| H2B | C2 | C3 | H3B | 60.5° | 60.5° |
| H2B | C2 | C3 | H3A | 58.7° | 58.7° |
| H5 | C5 | C6 | H6 | 144.6° | 144.6° |
| H6 | C6 | C7 | H7 | 156.1° | 156.1° |
| H7 | C7 | C8 | H8A | 81.8° | 81.8° |
| H7 | C7 | C8 | H8B | 160.4° | 160.4° |
| H8A | C8 | C9 | H9A | 73.6° | 73.6° |
| H8A | C8 | C9 | H9B | 45.4° | 45.4° |
| H8B | C8 | C9 | H9A | 168.5° | 168.5° |
| H8B | C8 | C9 | H9B | 72.4° | 72.5° |
