MK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | S23 | doub | 1.42Å | 1.45Å | |
| O18 | C8 | doub | 1.21Å | 1.23Å | |
| C2 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | C9 | sing | 1.53Å | 1.51Å | |
| N13 | C5 | sing | 1.47Å | 1.46Å | |
| N13 | C6 | sing | 1.47Å | 1.46Å | |
| C3 | C9 | sing | 1.53Å | 1.52Å | |
| C3 | C6 | sing | 1.53Å | 1.52Å | |
| N14 | C9 | sing | 1.46Å | 1.45Å | |
| N14 | C11 | sing | 1.35Å | 1.38Å | |
| O17 | S23 | doub | 1.42Å | 1.63Å | |
| C10 | C1 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N16 | sing | 1.47Å | 1.46Å | |
| S23 | O20 | sing | 1.52Å | 1.45Å | |
| S23 | O22 | sing | 1.52Å | 1.65Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C8 | N16 | sing | 1.35Å | 1.37Å | |
| C11 | O19 | doub | 1.21Å | 1.22Å | |
| N16 | C7 | sing | 1.47Å | 1.46Å | |
| O22 | N15 | sing | 1.46Å | 1.45Å | |
| N15 | C12 | sing | 1.47Å | 1.46Å | |
| C4 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C7 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| N13 | H19 | sing | 1.01Å | 1.00Å | |
| N14 | H21 | sing | 0.97Å | 1.00Å | |
| N15 | H22 | sing | 1.01Å | 1.00Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | S23 | O17 | 105.3° | 123.2° |
| O21 | S23 | O20 | 120.8° | 106.4° |
| O21 | S23 | O22 | 106.1° | 106.4° |
| O18 | C8 | N16 | 124.5° | 120.0° |
| O18 | C8 | H9 | 117.8° | 120.0° |
| C5 | C2 | C9 | 110.3° | 109.3° |
| C2 | C5 | N13 | 110.0° | 109.5° |
| C2 | C5 | H3 | 109.4° | 109.5° |
| C2 | C5 | H4 | 109.3° | 109.5° |
| C5 | C2 | H13 | 109.2° | 109.5° |
| C5 | C2 | H14 | 109.3° | 109.5° |
| C2 | C9 | C3 | 108.4° | 109.2° |
| C2 | C9 | N14 | 112.1° | 109.5° |
| C9 | C2 | H13 | 109.3° | 109.5° |
| C9 | C2 | H14 | 109.2° | 109.5° |
| C2 | C9 | H17 | 107.5° | 109.5° |
| C5 | N13 | C6 | 110.0° | 111.2° |
| N13 | C5 | H3 | 109.3° | 109.4° |
| N13 | C5 | H4 | 109.3° | 109.5° |
| C5 | N13 | H19 | 109.3° | 111.1° |
| N13 | C6 | C3 | 109.8° | 109.5° |
| N13 | C6 | H5 | 109.4° | 109.5° |
| N13 | C6 | H6 | 109.4° | 109.5° |
| C6 | N13 | H19 | 109.4° | 111.0° |
| C9 | C3 | C6 | 107.4° | 109.3° |
| C3 | C9 | N14 | 112.7° | 109.5° |
| C9 | C3 | H15 | 110.0° | 109.5° |
| C9 | C3 | H16 | 110.0° | 109.5° |
| C3 | C9 | H17 | 107.5° | 109.5° |
| C3 | C6 | H5 | 109.4° | 109.4° |
| C3 | C6 | H6 | 109.4° | 109.4° |
| C6 | C3 | H15 | 110.0° | 109.5° |
| C6 | C3 | H16 | 110.0° | 109.5° |
| C9 | N14 | C11 | 120.8° | 120.0° |
| N14 | C9 | H17 | 108.3° | 109.6° |
| C9 | N14 | H21 | 119.6° | 120.0° |
| N14 | C11 | C10 | 113.4° | 120.0° |
| N14 | C11 | O19 | 123.3° | 120.0° |
| C11 | N14 | H21 | 119.6° | 120.0° |
| O17 | S23 | O20 | 110.8° | 106.4° |
| O17 | S23 | O22 | 104.5° | 106.4° |
| C1 | C10 | C11 | 113.2° | 109.6° |
| C1 | C10 | N16 | 111.5° | 108.8° |
| C10 | C1 | C4 | 115.8° | 109.3° |
| C1 | C10 | H10 | 108.5° | 109.6° |
| C10 | C1 | H11 | 107.8° | 109.5° |
| C10 | C1 | H12 | 107.9° | 109.5° |
| C11 | C10 | N16 | 105.3° | 109.6° |
| C10 | C11 | O19 | 123.3° | 120.0° |
| C11 | C10 | H10 | 108.7° | 109.6° |
| C10 | N16 | C8 | 115.8° | 120.6° |
| C10 | N16 | C7 | 118.6° | 118.8° |
| N16 | C10 | H10 | 109.5° | 109.6° |
| O20 | S23 | O22 | 108.1° | 107.2° |
| S23 | O20 | H20 | 109.5° | 114.0° |
| S23 | O22 | N15 | 108.2° | 114.0° |
| C1 | C4 | C12 | 114.9° | 109.5° |
| C1 | C4 | H1 | 108.1° | 109.5° |
| C1 | C4 | H2 | 108.1° | 109.4° |
| C4 | C1 | H11 | 107.8° | 109.5° |
| C4 | C1 | H12 | 107.9° | 109.5° |
| C8 | N16 | C7 | 120.5° | 120.6° |
| N16 | C8 | H9 | 117.7° | 120.0° |
| N16 | C7 | C12 | 107.9° | 108.8° |
| N16 | C7 | H7 | 109.9° | 109.6° |
| N16 | C7 | H8 | 109.8° | 109.7° |
| O22 | N15 | C12 | 110.5° | 111.0° |
| O22 | N15 | H22 | 109.2° | 111.0° |
| N15 | C12 | C4 | 113.5° | 109.5° |
| N15 | C12 | C7 | 103.2° | 109.5° |
| N15 | C12 | H18 | 110.8° | 109.5° |
| C12 | N15 | H22 | 109.2° | 111.0° |
| C4 | C12 | C7 | 108.9° | 109.4° |
| C12 | C4 | H1 | 108.1° | 109.5° |
| C12 | C4 | H2 | 108.1° | 109.5° |
| C4 | C12 | H18 | 110.0° | 109.5° |
| C12 | C7 | H7 | 109.9° | 109.6° |
| C12 | C7 | H8 | 109.9° | 109.5° |
| C7 | C12 | H18 | 110.2° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.4° | 109.6° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | S23 | O17 | O20 | 132.1° | 122.9° |
| O21 | S23 | O17 | O22 | 111.6° | 123.0° |
| O21 | S23 | O20 | O22 | 122.3° | 113.6° |
| O21 | S23 | O22 | N15 | 67.9° | 38.5° |
| O21 | S23 | O20 | H20 | 0.0° | 66.5° |
| O18 | C8 | N16 | C10 | 4.8° | 174.6° |
| O18 | C8 | N16 | H9 | 180.0° | 180.0° |
| O18 | C8 | N16 | C7 | 159.1° | 5.4° |
| C5 | C2 | C9 | H13 | 120.1° | 120.0° |
| C5 | C2 | C9 | H14 | 120.1° | 120.0° |
| C2 | C5 | N13 | H3 | 120.1° | 120.0° |
| C2 | C5 | N13 | H4 | 120.1° | 120.1° |
| C2 | C5 | N13 | C6 | 59.5° | 61.8° |
| C5 | C2 | C9 | C3 | 58.1° | 57.6° |
| C5 | C2 | C9 | N14 | 176.8° | 177.5° |
| C2 | C5 | H3 | H4 | 119.8° | 120.0° |
| C5 | C2 | H13 | H14 | 119.6° | 120.2° |
| C5 | C2 | C9 | H17 | 57.8° | 62.2° |
| C2 | C5 | N13 | H19 | 60.6° | 62.3° |
| C9 | C2 | C5 | N13 | 57.5° | 59.2° |
| C2 | C9 | C3 | N14 | 124.7° | 119.9° |
| C2 | C9 | C3 | H17 | 116.0° | 119.9° |
| C2 | C9 | C3 | C6 | 60.1° | 57.6° |
| C2 | C9 | N14 | H17 | 118.5° | 120.2° |
| C2 | C9 | N14 | C11 | 159.6° | 155.0° |
| C9 | C2 | C5 | H3 | 177.6° | 179.2° |
| C9 | C2 | C5 | H4 | 62.6° | 60.8° |
| C9 | C2 | H13 | H14 | 119.6° | 120.0° |
| C2 | C9 | C3 | H15 | 179.8° | 62.3° |
| C2 | C9 | C3 | H16 | 59.6° | 177.6° |
| C2 | C9 | N14 | H21 | 20.5° | 24.9° |
| C5 | N13 | C6 | H19 | 120.1° | 124.2° |
| C5 | N13 | C6 | C3 | 63.2° | 61.8° |
| N13 | C5 | H3 | H4 | 119.7° | 119.9° |
| C5 | N13 | C6 | H5 | 176.7° | 58.3° |
| C5 | N13 | C6 | H6 | 56.8° | 178.3° |
| N13 | C5 | C2 | H13 | 177.6° | 179.1° |
| N13 | C5 | C2 | H14 | 62.7° | 60.7° |
| N13 | C6 | C3 | C9 | 63.2° | 59.2° |
| N13 | C6 | C3 | H5 | 120.0° | 120.1° |
| N13 | C6 | C3 | H6 | 120.1° | 120.0° |
| C6 | N13 | C5 | H3 | 179.6° | 178.2° |
| C6 | N13 | C5 | H4 | 60.6° | 58.3° |
| N13 | C6 | H5 | H6 | 119.8° | 120.0° |
| N13 | C6 | C3 | H15 | 177.1° | 60.7° |
| N13 | C6 | C3 | H16 | 56.4° | 179.1° |
| C9 | C3 | C6 | H15 | 119.7° | 119.9° |
| C9 | C3 | C6 | H16 | 119.7° | 120.0° |
| C3 | C9 | N14 | H17 | 118.8° | 120.2° |
| C3 | C9 | N14 | C11 | 77.8° | 85.3° |
| C9 | C3 | C6 | H5 | 176.7° | 60.9° |
| C9 | C3 | C6 | H6 | 56.8° | 179.2° |
| C3 | C9 | C2 | H13 | 178.3° | 177.6° |
| C3 | C9 | C2 | H14 | 62.0° | 62.3° |
| C9 | C3 | H15 | H16 | 121.0° | 120.1° |
| C3 | C9 | N14 | H21 | 102.2° | 94.8° |
| C6 | C3 | C9 | N14 | 175.2° | 177.5° |
| C3 | C6 | H5 | H6 | 119.8° | 119.9° |
| C6 | C3 | H15 | H16 | 120.9° | 120.1° |
| C6 | C3 | C9 | H17 | 55.9° | 62.3° |
| C3 | C6 | N13 | H19 | 56.8° | 62.4° |
| C9 | N14 | C11 | H21 | 180.0° | 179.9° |
| C9 | N14 | C11 | C10 | 179.3° | 180.0° |
| C9 | N14 | C11 | O19 | 1.0° | 0.1° |
| N14 | C9 | C2 | H13 | 56.7° | 62.5° |
| N14 | C9 | C2 | H14 | 63.1° | 57.6° |
| N14 | C9 | C3 | H15 | 55.5° | 57.6° |
| N14 | C9 | C3 | H16 | 65.2° | 62.5° |
| N14 | C11 | C10 | C1 | 71.7° | 105.8° |
| N14 | C11 | C10 | O19 | 178.3° | 180.0° |
| N14 | C11 | C10 | N16 | 166.3° | 135.0° |
| N14 | C11 | C10 | H10 | 49.0° | 14.6° |
| C11 | N14 | C9 | H17 | 41.1° | 34.8° |
| O17 | S23 | O20 | O22 | 114.0° | 113.5° |
| O17 | S23 | O22 | N15 | 43.1° | 171.5° |
| O17 | S23 | O20 | H20 | 123.7° | 66.4° |
| C1 | C10 | C11 | N16 | 122.0° | 119.3° |
| C1 | C10 | C11 | H10 | 120.7° | 120.3° |
| C1 | C10 | N16 | H10 | 120.1° | 119.8° |
| C10 | C1 | C4 | H11 | 120.9° | 119.9° |
| C10 | C1 | C4 | H12 | 121.0° | 120.0° |
| C1 | C10 | N16 | C8 | 108.5° | 126.4° |
| C1 | C10 | C11 | O19 | 110.1° | 74.3° |
| C1 | C10 | N16 | C7 | 46.3° | 53.6° |
| C10 | C1 | C4 | C12 | 37.8° | 61.4° |
| C10 | C1 | C4 | H1 | 83.0° | 178.6° |
| C10 | C1 | C4 | H2 | 158.6° | 58.6° |
| C10 | C1 | H11 | H12 | 117.1° | 120.0° |
| C11 | C10 | N16 | H10 | 116.7° | 120.4° |
| C11 | C10 | C1 | C4 | 86.2° | 174.4° |
| C11 | C10 | N16 | C8 | 128.3° | 6.6° |
| C11 | C10 | N16 | C7 | 76.9° | 173.4° |
| C11 | C10 | C1 | H11 | 34.7° | 65.6° |
| C11 | C10 | C1 | H12 | 152.9° | 54.4° |
| C10 | C11 | N14 | H21 | 0.7° | 0.1° |
| N16 | C10 | C1 | C4 | 32.3° | 54.6° |
| C10 | N16 | C8 | C7 | 154.3° | 180.0° |
| N16 | C10 | C11 | O19 | 12.0° | 45.0° |
| C10 | N16 | C7 | C12 | 61.7° | 53.5° |
| C10 | N16 | C7 | H7 | 178.5° | 173.4° |
| C10 | N16 | C7 | H8 | 58.1° | 66.2° |
| C10 | N16 | C8 | H9 | 175.2° | 5.4° |
| N16 | C10 | C1 | H11 | 153.2° | 174.6° |
| N16 | C10 | C1 | H12 | 88.6° | 65.4° |
| O20 | S23 | O22 | N15 | 161.2° | 75.0° |
| S23 | O22 | N15 | C12 | 150.2° | 180.0° |
| S23 | O22 | N15 | H22 | 89.6° | 56.0° |
| O22 | S23 | O20 | H20 | 122.3° | 180.0° |
| C1 | C4 | C12 | N15 | 62.9° | 178.7° |
| C1 | C4 | C12 | H1 | 120.8° | 120.0° |
| C1 | C4 | C12 | H2 | 120.8° | 119.9° |
| C1 | C4 | C12 | C7 | 51.5° | 61.4° |
| C1 | C4 | H1 | H2 | 117.5° | 120.0° |
| C4 | C1 | C10 | H10 | 153.0° | 65.2° |
| C4 | C1 | H11 | H12 | 117.1° | 120.1° |
| C1 | C4 | C12 | H18 | 172.3° | 58.6° |
| C8 | N16 | C7 | C12 | 91.9° | 126.4° |
| C8 | N16 | C7 | H7 | 27.9° | 6.6° |
| C8 | N16 | C7 | H8 | 148.3° | 113.8° |
| C8 | N16 | C10 | H10 | 11.6° | 113.8° |
| O19 | C11 | C10 | H10 | 129.2° | 165.4° |
| O19 | C11 | N14 | H21 | 179.0° | 179.9° |
| N16 | C7 | C12 | N15 | 60.5° | 174.6° |
| N16 | C7 | C12 | C4 | 60.4° | 54.6° |
| N16 | C7 | C12 | H7 | 119.8° | 119.8° |
| N16 | C7 | C12 | H8 | 119.8° | 119.9° |
| N16 | C7 | H7 | H8 | 120.7° | 120.5° |
| C7 | N16 | C8 | H9 | 20.9° | 174.6° |
| C7 | N16 | C10 | H10 | 166.4° | 66.3° |
| N16 | C7 | C12 | H18 | 178.9° | 65.4° |
| O22 | N15 | C12 | H22 | 120.2° | 124.0° |
| O22 | N15 | C12 | C4 | 67.9° | 60.0° |
| O22 | N15 | C12 | C7 | 174.4° | 59.9° |
| O22 | N15 | C12 | H18 | 56.5° | 179.9° |
| N15 | C12 | C4 | C7 | 114.4° | 120.0° |
| N15 | C12 | C4 | H18 | 124.8° | 120.1° |
| N15 | C12 | C7 | H18 | 118.4° | 120.1° |
| N15 | C12 | C4 | H1 | 176.3° | 58.7° |
| N15 | C12 | C4 | H2 | 57.9° | 61.4° |
| N15 | C12 | C7 | H7 | 59.3° | 65.6° |
| N15 | C12 | C7 | H8 | 179.8° | 54.7° |
| C4 | C12 | C7 | H18 | 120.7° | 120.0° |
| C12 | C4 | H1 | H2 | 117.5° | 120.0° |
| C4 | C12 | C7 | H7 | 179.8° | 174.4° |
| C4 | C12 | C7 | H8 | 59.4° | 65.3° |
| C12 | C4 | C1 | H11 | 158.7° | 178.7° |
| C12 | C4 | C1 | H12 | 83.2° | 58.6° |
| C4 | C12 | N15 | H22 | 172.0° | 63.9° |
| C7 | C12 | C4 | H1 | 69.3° | 178.7° |
| C7 | C12 | C4 | H2 | 172.3° | 58.6° |
| C12 | C7 | H7 | H8 | 120.7° | 120.2° |
| C7 | C12 | N15 | H22 | 54.2° | 176.2° |
| H1 | C4 | C1 | H11 | 37.9° | 58.7° |
| H1 | C4 | C1 | H12 | 156.0° | 61.4° |
| H1 | C4 | C12 | H18 | 51.5° | 61.4° |
| H2 | C4 | C1 | H11 | 80.5° | 61.3° |
| H2 | C4 | C1 | H12 | 37.6° | 178.6° |
| H2 | C4 | C12 | H18 | 66.9° | 178.5° |
| H3 | C5 | C2 | H13 | 62.3° | 60.9° |
| H3 | C5 | C2 | H14 | 57.4° | 59.3° |
| H3 | C5 | N13 | H19 | 59.5° | 57.7° |
| H4 | C5 | C2 | H13 | 57.5° | 59.1° |
| H4 | C5 | C2 | H14 | 177.3° | 179.2° |
| H4 | C5 | N13 | H19 | 179.3° | 177.6° |
| H5 | C6 | C3 | H15 | 57.0° | 179.2° |
| H5 | C6 | C3 | H16 | 63.6° | 59.0° |
| H5 | C6 | N13 | H19 | 63.2° | 177.6° |
| H6 | C6 | C3 | H15 | 62.8° | 59.2° |
| H6 | C6 | C3 | H16 | 176.5° | 60.9° |
| H6 | C6 | N13 | H19 | 176.9° | 57.6° |
| H7 | C7 | C12 | H18 | 59.1° | 54.5° |
| H8 | C7 | C12 | H18 | 61.4° | 174.7° |
| H10 | C10 | C1 | H11 | 86.1° | 54.7° |
| H10 | C10 | C1 | H12 | 32.1° | 174.8° |
| H13 | C2 | C9 | H17 | 62.3° | 57.7° |
| H14 | C2 | C9 | H17 | 177.9° | 177.8° |
| H15 | C3 | C9 | H17 | 63.8° | 177.8° |
| H16 | C3 | C9 | H17 | 175.5° | 57.7° |
| H17 | C9 | N14 | H21 | 139.0° | 145.1° |
| H18 | C12 | N15 | H22 | 63.7° | 56.1° |
