A1MEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | P17 | doub | 1.48Å | 1.59Å | |
| C1 | C6 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| P17 | O19 | sing | 1.61Å | 1.47Å | |
| P17 | O16 | sing | 1.61Å | 1.60Å | |
| P17 | O18 | sing | 1.61Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.49Å | |
| O16 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C10 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C11 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C10 | sing | 1.54Å | 1.52Å | |
| C5 | C4 | sing | 1.52Å | 1.54Å | |
| C10 | C9 | sing | 1.51Å | 1.39Å | |
| C3 | C4 | sing | 1.52Å | 1.55Å | |
| C3 | C12 | sing | 1.53Å | 1.53Å | |
| C3 | C13 | sing | 1.55Å | 1.51Å | |
| C4 | C7 | sing | 1.53Å | 1.51Å | |
| C9 | C15 | doub | 1.31Å | 1.38Å | |
| C9 | C8 | sing | 1.51Å | 1.39Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.12Å | 1.10Å | |
| C1 | H4 | sing | 1.10Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.08Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| O18 | H28 | sing | 0.97Å | 0.95Å | |
| O19 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | P17 | O19 | 108.8° | 109.5° |
| O20 | P17 | O16 | 101.9° | 109.5° |
| O20 | P17 | O18 | 109.1° | 109.5° |
| C6 | C1 | C2 | 109.4° | 109.1° |
| C1 | C6 | C5 | 108.0° | 110.2° |
| C6 | C1 | H4 | 109.5° | 108.7° |
| C6 | C1 | H5 | 109.5° | 110.8° |
| C1 | C6 | H21 | 109.8° | 109.3° |
| C1 | C6 | H22 | 109.8° | 108.7° |
| C1 | C2 | C3 | 110.1° | 110.7° |
| C1 | C2 | H1 | 109.3° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.6° |
| C2 | C1 | H4 | 109.5° | 109.0° |
| C2 | C1 | H5 | 109.5° | 110.9° |
| O19 | P17 | O16 | 108.5° | 109.5° |
| O19 | P17 | O18 | 119.4° | 109.5° |
| P17 | O19 | H29 | 109.5° | 114.0° |
| O16 | P17 | O18 | 107.7° | 109.5° |
| P17 | O16 | C14 | 120.7° | 123.0° |
| P17 | O18 | H28 | 109.5° | 114.0° |
| C6 | C5 | C11 | 108.4° | 109.5° |
| C6 | C5 | C10 | 110.8° | 108.0° |
| C6 | C5 | C4 | 108.7° | 110.8° |
| C5 | C6 | H21 | 109.8° | 109.4° |
| C5 | C6 | H22 | 109.9° | 110.0° |
| O16 | C14 | C10 | 108.5° | 109.5° |
| O16 | C14 | H16 | 109.7° | 109.5° |
| O16 | C14 | H17 | 109.7° | 109.5° |
| C14 | C10 | C5 | 111.3° | 109.7° |
| C14 | C10 | C9 | 109.7° | 109.2° |
| C14 | C10 | H6 | 108.6° | 109.9° |
| C10 | C14 | H16 | 109.7° | 109.4° |
| C10 | C14 | H17 | 109.7° | 109.4° |
| C2 | C3 | C4 | 111.0° | 111.6° |
| C2 | C3 | C12 | 110.6° | 109.9° |
| C2 | C3 | C13 | 108.3° | 106.5° |
| C3 | C2 | H1 | 109.3° | 109.1° |
| C3 | C2 | H2 | 109.3° | 109.1° |
| C11 | C5 | C10 | 108.9° | 107.9° |
| C11 | C5 | C4 | 115.6° | 112.7° |
| C5 | C11 | H7 | 109.5° | 109.5° |
| C5 | C11 | H8 | 109.5° | 109.5° |
| C5 | C11 | H9 | 109.5° | 109.5° |
| C10 | C5 | C4 | 104.4° | 107.7° |
| C5 | C10 | C9 | 108.1° | 108.7° |
| C5 | C10 | H6 | 108.7° | 109.4° |
| C5 | C4 | C3 | 115.1° | 115.6° |
| C5 | C4 | C7 | 107.7° | 110.8° |
| C5 | C4 | H3 | 107.4° | 106.0° |
| C10 | C9 | C15 | 120.1° | 120.4° |
| C10 | C9 | C8 | 120.5° | 119.1° |
| C9 | C10 | H6 | 110.5° | 110.0° |
| C4 | C3 | C12 | 114.5° | 112.6° |
| C4 | C3 | C13 | 105.0° | 108.4° |
| C3 | C4 | C7 | 111.3° | 111.6° |
| C3 | C4 | H3 | 107.2° | 106.4° |
| C12 | C3 | C13 | 107.0° | 107.5° |
| C3 | C12 | H10 | 109.5° | 109.5° |
| C3 | C12 | H11 | 109.5° | 109.5° |
| C3 | C12 | H12 | 109.5° | 109.5° |
| C3 | C13 | H13 | 109.5° | 109.5° |
| C3 | C13 | H14 | 109.5° | 109.5° |
| C3 | C13 | H15 | 109.5° | 109.5° |
| C4 | C7 | C8 | 106.5° | 108.8° |
| C7 | C4 | H3 | 107.8° | 105.7° |
| C4 | C7 | H23 | 110.2° | 111.8° |
| C4 | C7 | H24 | 110.2° | 110.3° |
| C15 | C9 | C8 | 119.4° | 120.5° |
| C9 | C15 | H18 | 120.0° | 120.0° |
| C9 | C15 | H19 | 120.0° | 120.0° |
| C9 | C8 | C7 | 108.7° | 108.8° |
| C9 | C8 | H25 | 109.7° | 109.8° |
| C9 | C8 | H26 | 109.7° | 109.8° |
| C8 | C7 | H23 | 110.2° | 109.4° |
| C8 | C7 | H24 | 110.2° | 108.0° |
| C7 | C8 | H25 | 109.7° | 109.4° |
| C7 | C8 | H26 | 109.6° | 109.4° |
| H1 | C2 | H2 | 109.5° | 108.8° |
| H4 | C1 | H5 | 109.5° | 108.4° |
| H7 | C11 | H8 | 109.5° | 109.4° |
| H7 | C11 | H9 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 120.0° | 120.0° |
| H21 | C6 | H22 | 109.5° | 109.2° |
| H23 | C7 | H24 | 109.5° | 108.6° |
| H25 | C8 | H26 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | P17 | O19 | O16 | 110.2° | 120.0° |
| O20 | P17 | O19 | O18 | 126.0° | 120.0° |
| O20 | P17 | O16 | O18 | 114.7° | 120.0° |
| O20 | P17 | O16 | C14 | 75.6° | 55.0° |
| O20 | P17 | O18 | H28 | 0.0° | 180.0° |
| O20 | P17 | O19 | H29 | 0.0° | 60.0° |
| C6 | C1 | C2 | H4 | 120.0° | 118.6° |
| C6 | C1 | C2 | H5 | 120.0° | 122.2° |
| C1 | C6 | C5 | H21 | 119.8° | 120.2° |
| C1 | C6 | C5 | H22 | 119.8° | 119.9° |
| C6 | C1 | C2 | C3 | 63.5° | 61.0° |
| C1 | C6 | C5 | C11 | 65.4° | 69.8° |
| C1 | C6 | C5 | C10 | 175.2° | 172.9° |
| C1 | C6 | C5 | C4 | 61.0° | 55.1° |
| C6 | C1 | C2 | H1 | 176.3° | 59.4° |
| C6 | C1 | C2 | H2 | 56.5° | 178.6° |
| C6 | C1 | H4 | H5 | 120.0° | 120.5° |
| C1 | C6 | H21 | H22 | 120.7° | 118.8° |
| C2 | C1 | C6 | C5 | 69.8° | 62.3° |
| C1 | C2 | C3 | H1 | 120.1° | 120.6° |
| C1 | C2 | C3 | H2 | 120.1° | 120.7° |
| C1 | C2 | C3 | C4 | 49.6° | 52.8° |
| C1 | C2 | C3 | C12 | 78.6° | 72.9° |
| C1 | C2 | C3 | C13 | 164.4° | 170.9° |
| C1 | C2 | H1 | H2 | 119.7° | 119.7° |
| C2 | C1 | H4 | H5 | 120.0° | 120.7° |
| C2 | C1 | C6 | H21 | 49.9° | 58.0° |
| C2 | C1 | C6 | H22 | 170.4° | 177.0° |
| O19 | P17 | O16 | O18 | 130.6° | 120.0° |
| O19 | P17 | O16 | C14 | 169.7° | 175.1° |
| O19 | P17 | O18 | H28 | 125.8° | 60.0° |
| P17 | O16 | C14 | C10 | 155.2° | 180.0° |
| P17 | O16 | C14 | H16 | 35.4° | 60.1° |
| P17 | O16 | C14 | H17 | 84.9° | 60.0° |
| O16 | P17 | O18 | H28 | 109.9° | 60.0° |
| O16 | P17 | O19 | H29 | 110.1° | 180.0° |
| O18 | P17 | O16 | C14 | 39.1° | 65.0° |
| O18 | P17 | O19 | H29 | 126.0° | 60.0° |
| C6 | C5 | C10 | C14 | 63.6° | 66.1° |
| C6 | C5 | C11 | C10 | 120.6° | 117.4° |
| C6 | C5 | C11 | C4 | 122.3° | 123.8° |
| C6 | C5 | C10 | C4 | 116.9° | 119.8° |
| C6 | C5 | C10 | C9 | 175.9° | 174.7° |
| C6 | C5 | C4 | C3 | 50.2° | 48.4° |
| C6 | C5 | C4 | C7 | 175.0° | 176.6° |
| C6 | C5 | C4 | H3 | 69.2° | 69.2° |
| C5 | C6 | C1 | H4 | 50.2° | 179.0° |
| C5 | C6 | C1 | H5 | 170.2° | 60.0° |
| C6 | C5 | C10 | H6 | 55.9° | 54.6° |
| C6 | C5 | C11 | H7 | 180.0° | 59.6° |
| C6 | C5 | C11 | H8 | 60.0° | 60.4° |
| C6 | C5 | C11 | H9 | 60.0° | 179.6° |
| C5 | C6 | H21 | H22 | 120.7° | 120.5° |
| O16 | C14 | C10 | H16 | 119.9° | 120.0° |
| O16 | C14 | C10 | H17 | 119.9° | 120.1° |
| O16 | C14 | C10 | C5 | 141.7° | 176.0° |
| O16 | C14 | C10 | C9 | 98.7° | 65.0° |
| O16 | C14 | C10 | H6 | 22.2° | 55.7° |
| O16 | C14 | H16 | H17 | 120.5° | 120.1° |
| C14 | C10 | C5 | C11 | 55.5° | 52.2° |
| C14 | C10 | C5 | C9 | 120.5° | 119.3° |
| C14 | C10 | C5 | H6 | 119.5° | 120.6° |
| C14 | C10 | C5 | C4 | 179.5° | 174.1° |
| C14 | C10 | C9 | H6 | 119.7° | 120.7° |
| C14 | C10 | C9 | C15 | 0.5° | 10.1° |
| C14 | C10 | C9 | C8 | 179.6° | 170.3° |
| C10 | C14 | H16 | H17 | 120.4° | 119.9° |
| C2 | C3 | C4 | C5 | 44.5° | 47.2° |
| C2 | C3 | C4 | C12 | 126.1° | 124.2° |
| C2 | C3 | C4 | C13 | 116.8° | 117.0° |
| C2 | C3 | C12 | C13 | 117.8° | 115.5° |
| C2 | C3 | C4 | C7 | 167.4° | 175.0° |
| C3 | C2 | H1 | H2 | 119.7° | 119.0° |
| C2 | C3 | C4 | H3 | 75.0° | 70.1° |
| C3 | C2 | C1 | H4 | 56.5° | 179.5° |
| C3 | C2 | C1 | H5 | 176.5° | 61.3° |
| C2 | C3 | C12 | H10 | 180.0° | 67.1° |
| C2 | C3 | C12 | H11 | 60.0° | 172.9° |
| C2 | C3 | C12 | H12 | 60.0° | 52.9° |
| C2 | C3 | C13 | H13 | 180.0° | 60.0° |
| C2 | C3 | C13 | H14 | 60.0° | 179.9° |
| C2 | C3 | C13 | H15 | 60.0° | 60.0° |
| C11 | C5 | C10 | C4 | 124.0° | 122.0° |
| C11 | C5 | C10 | C9 | 65.0° | 67.1° |
| C11 | C5 | C4 | C3 | 72.0° | 74.7° |
| C11 | C5 | C4 | C7 | 52.8° | 53.6° |
| C11 | C5 | C4 | H3 | 168.7° | 167.8° |
| C11 | C5 | C10 | H6 | 175.0° | 172.8° |
| C5 | C11 | H7 | H8 | 120.0° | 120.1° |
| C5 | C11 | H7 | H9 | 120.0° | 120.0° |
| C5 | C11 | H8 | H9 | 120.0° | 120.0° |
| C11 | C5 | C6 | H21 | 174.8° | 170.0° |
| C11 | C5 | C6 | H22 | 54.4° | 50.1° |
| C5 | C10 | C9 | H6 | 118.8° | 119.7° |
| C10 | C5 | C4 | C3 | 168.4° | 166.4° |
| C10 | C5 | C4 | C7 | 66.8° | 65.4° |
| C5 | C10 | C9 | C15 | 121.0° | 129.6° |
| C5 | C10 | C9 | C8 | 58.1° | 50.7° |
| C10 | C5 | C4 | H3 | 49.1° | 48.8° |
| C10 | C5 | C11 | H7 | 59.4° | 57.8° |
| C10 | C5 | C11 | H8 | 60.6° | 177.8° |
| C10 | C5 | C11 | H9 | 179.4° | 62.3° |
| C5 | C10 | C14 | H16 | 98.4° | 56.0° |
| C5 | C10 | C14 | H17 | 21.9° | 63.9° |
| C10 | C5 | C6 | H21 | 55.4° | 52.7° |
| C10 | C5 | C6 | H22 | 65.1° | 67.2° |
| C4 | C5 | C10 | C9 | 59.0° | 54.9° |
| C5 | C4 | C3 | C7 | 122.9° | 127.8° |
| C5 | C4 | C3 | H3 | 119.5° | 117.4° |
| C5 | C4 | C3 | C12 | 81.7° | 76.9° |
| C5 | C4 | C3 | C13 | 161.3° | 164.2° |
| C5 | C4 | C7 | H3 | 115.6° | 114.4° |
| C5 | C4 | C7 | C8 | 65.0° | 64.8° |
| C4 | C5 | C10 | H6 | 60.9° | 65.2° |
| C4 | C5 | C11 | H7 | 57.7° | 176.6° |
| C4 | C5 | C11 | H8 | 177.7° | 63.4° |
| C4 | C5 | C11 | H9 | 62.3° | 56.6° |
| C4 | C5 | C6 | H21 | 58.7° | 65.1° |
| C4 | C5 | C6 | H22 | 179.2° | 175.0° |
| C5 | C4 | C7 | H23 | 54.5° | 56.0° |
| C5 | C4 | C7 | H24 | 175.5° | 177.0° |
| C10 | C9 | C15 | C8 | 179.2° | 179.7° |
| C10 | C9 | C8 | C7 | 55.4° | 49.6° |
| C9 | C10 | C14 | H16 | 21.1° | 175.0° |
| C9 | C10 | C14 | H17 | 141.4° | 55.0° |
| C10 | C9 | C15 | H18 | 179.2° | 0.0° |
| C10 | C9 | C15 | H19 | 0.8° | 180.0° |
| C10 | C9 | C8 | H25 | 64.5° | 169.3° |
| C10 | C9 | C8 | H26 | 175.3° | 70.1° |
| C4 | C3 | C12 | C13 | 115.9° | 119.4° |
| C3 | C4 | C7 | H3 | 117.3° | 115.2° |
| C3 | C4 | C7 | C8 | 167.9° | 164.8° |
| C4 | C3 | C2 | H1 | 169.7° | 67.8° |
| C4 | C3 | C2 | H2 | 70.5° | 173.4° |
| C4 | C3 | C12 | H10 | 53.7° | 167.8° |
| C4 | C3 | C12 | H11 | 66.3° | 47.8° |
| C4 | C3 | C12 | H12 | 173.6° | 72.2° |
| C4 | C3 | C13 | H13 | 61.3° | 60.2° |
| C4 | C3 | C13 | H14 | 178.7° | 59.8° |
| C4 | C3 | C13 | H15 | 58.7° | 179.7° |
| C3 | C4 | C7 | H23 | 72.6° | 74.3° |
| C3 | C4 | C7 | H24 | 48.4° | 46.6° |
| C12 | C3 | C4 | C7 | 41.3° | 50.9° |
| C12 | C3 | C2 | H1 | 41.5° | 166.5° |
| C12 | C3 | C2 | H2 | 161.3° | 47.8° |
| C12 | C3 | C4 | H3 | 158.9° | 165.7° |
| C3 | C12 | H10 | H11 | 120.0° | 120.0° |
| C3 | C12 | H10 | H12 | 120.0° | 120.0° |
| C3 | C12 | H11 | H12 | 120.0° | 120.0° |
| C12 | C3 | C13 | H13 | 60.7° | 177.8° |
| C12 | C3 | C13 | H14 | 59.3° | 62.2° |
| C12 | C3 | C13 | H15 | 179.3° | 57.7° |
| C13 | C3 | C4 | C7 | 75.7° | 67.9° |
| C13 | C3 | C2 | H1 | 75.5° | 50.4° |
| C13 | C3 | C2 | H2 | 44.3° | 68.4° |
| C13 | C3 | C4 | H3 | 41.9° | 46.9° |
| C13 | C3 | C12 | H10 | 62.2° | 48.4° |
| C13 | C3 | C12 | H11 | 177.8° | 71.6° |
| C13 | C3 | C12 | H12 | 57.8° | 168.4° |
| C3 | C13 | H13 | H14 | 120.0° | 120.0° |
| C3 | C13 | H13 | H15 | 120.0° | 120.0° |
| C3 | C13 | H14 | H15 | 120.0° | 120.0° |
| C4 | C7 | C8 | C9 | 55.1° | 53.0° |
| C4 | C7 | C8 | H23 | 119.5° | 122.3° |
| C4 | C7 | C8 | H24 | 119.5° | 119.7° |
| C4 | C7 | H23 | H24 | 121.4° | 121.9° |
| C4 | C7 | C8 | H25 | 64.8° | 173.0° |
| C4 | C7 | C8 | H26 | 175.0° | 67.0° |
| C15 | C9 | C8 | C7 | 123.7° | 130.7° |
| C15 | C9 | C10 | H6 | 120.2° | 110.7° |
| C9 | C15 | H18 | H19 | 180.0° | 180.0° |
| C15 | C9 | C8 | H25 | 116.4° | 11.0° |
| C15 | C9 | C8 | H26 | 3.8° | 109.6° |
| C9 | C8 | C7 | H25 | 119.9° | 119.9° |
| C9 | C8 | C7 | H26 | 119.9° | 120.0° |
| C8 | C9 | C10 | H6 | 60.7° | 69.0° |
| C8 | C9 | C15 | H18 | 0.0° | 179.7° |
| C8 | C9 | C15 | H19 | 180.0° | 0.3° |
| C9 | C8 | C7 | H23 | 64.4° | 69.3° |
| C9 | C8 | C7 | H24 | 174.6° | 172.7° |
| C9 | C8 | H25 | H26 | 120.4° | 120.7° |
| C8 | C7 | C4 | H3 | 50.6° | 49.6° |
| C8 | C7 | H23 | H24 | 121.3° | 117.6° |
| C7 | C8 | H25 | H26 | 120.3° | 119.9° |
| H1 | C2 | C1 | H4 | 63.7° | 59.2° |
| H1 | C2 | C1 | H5 | 56.4° | 178.4° |
| H2 | C2 | C1 | H4 | 176.5° | 60.0° |
| H2 | C2 | C1 | H5 | 63.4° | 59.1° |
| H3 | C4 | C7 | H23 | 170.1° | 170.4° |
| H3 | C4 | C7 | H24 | 68.9° | 68.7° |
| H4 | C1 | C6 | H21 | 169.9° | 60.7° |
| H4 | C1 | C6 | H22 | 69.6° | 58.3° |
| H5 | C1 | C6 | H21 | 70.1° | 179.7° |
| H5 | C1 | C6 | H22 | 50.4° | 60.7° |
| H6 | C10 | C14 | H16 | 142.0° | 64.3° |
| H6 | C10 | C14 | H17 | 97.7° | 175.8° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H10 | C12 | H11 | H12 | 120.0° | 120.0° |
| H13 | C13 | H14 | H15 | 120.0° | 120.0° |
| H23 | C7 | C8 | H25 | 175.7° | 50.6° |
| H23 | C7 | C8 | H26 | 55.5° | 170.7° |
| H24 | C7 | C8 | H25 | 54.8° | 67.4° |
| H24 | C7 | C8 | H26 | 65.5° | 52.7° |
