OMJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | O23 | sing | 1.43Å | 1.41Å | |
| C21 | N20 | sing | 1.47Å | 1.48Å | |
| O23 | C24 | sing | 1.43Å | 1.42Å | |
| C17 | C14 | sing | 1.51Å | 1.47Å | |
| C17 | C18 | sing | 1.51Å | 1.65Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| N20 | C18 | sing | 1.35Å | 1.41Å | |
| N20 | C25 | sing | 1.47Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | O10 | sing | 1.36Å | 1.39Å | |
| C11 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| O10 | C04 | sing | 1.36Å | 1.39Å | |
| C18 | O19 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.51Å | 1.61Å | |
| O27 | C26 | doub | 1.21Å | 1.25Å | |
| C26 | O28 | sing | 1.34Å | 1.26Å | |
| C04 | C03 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C02 | C07 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.43Å | 1.45Å | |
| C08 | N09 | trip | 1.14Å | 1.16Å | |
| C25 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| O28 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | O23 | 109.5° | 109.2° |
| C22 | C21 | N20 | 114.5° | 108.4° |
| C22 | C21 | H4 | 108.2° | 109.7° |
| C22 | C21 | H5 | 108.2° | 109.7° |
| C21 | C22 | H6 | 109.5° | 109.5° |
| C21 | C22 | H7 | 109.4° | 109.5° |
| C22 | O23 | C24 | 110.1° | 114.2° |
| O23 | C22 | H6 | 109.4° | 109.5° |
| O23 | C22 | H7 | 109.5° | 109.5° |
| C21 | N20 | C18 | 117.1° | 121.0° |
| C21 | N20 | C25 | 113.0° | 118.0° |
| N20 | C21 | H4 | 108.2° | 109.7° |
| N20 | C21 | H5 | 108.2° | 109.7° |
| O23 | C24 | C25 | 111.2° | 109.2° |
| O23 | C24 | H18 | 109.0° | 109.5° |
| O23 | C24 | H19 | 109.1° | 109.6° |
| C14 | C17 | C18 | 134.8° | 109.5° |
| C17 | C14 | C13 | 120.6° | 119.9° |
| C17 | C14 | C15 | 121.2° | 120.0° |
| C14 | C17 | H16 | 102.8° | 109.4° |
| C14 | C17 | H17 | 102.8° | 109.5° |
| C17 | C18 | N20 | 120.7° | 120.0° |
| C17 | C18 | O19 | 115.3° | 120.0° |
| C18 | C17 | H16 | 102.8° | 109.5° |
| C18 | C17 | H17 | 102.8° | 109.5° |
| C14 | C13 | C12 | 121.3° | 120.1° |
| C13 | C14 | C15 | 118.2° | 120.1° |
| C14 | C13 | H3 | 119.4° | 120.0° |
| C13 | C12 | C11 | 120.8° | 119.9° |
| C13 | C12 | H2 | 119.6° | 120.0° |
| C12 | C13 | H3 | 119.4° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.1° |
| C14 | C15 | H14 | 119.7° | 120.0° |
| C12 | C11 | O10 | 123.2° | 120.1° |
| C12 | C11 | C16 | 118.0° | 119.9° |
| C11 | C12 | H2 | 119.6° | 120.0° |
| C24 | C25 | N20 | 109.6° | 108.4° |
| C24 | C25 | C26 | 113.5° | 109.7° |
| C24 | C25 | H1 | 106.2° | 109.7° |
| C25 | C24 | H18 | 109.0° | 109.5° |
| C25 | C24 | H19 | 109.0° | 109.5° |
| C18 | N20 | C25 | 129.9° | 120.9° |
| N20 | C18 | O19 | 124.0° | 120.1° |
| N20 | C25 | C26 | 114.9° | 109.7° |
| N20 | C25 | H1 | 106.5° | 109.7° |
| C15 | C16 | C11 | 120.9° | 119.9° |
| C16 | C15 | H14 | 119.6° | 119.9° |
| C15 | C16 | H15 | 119.5° | 120.1° |
| O10 | C11 | C16 | 118.8° | 120.0° |
| C11 | O10 | C04 | 120.1° | 118.0° |
| C11 | C16 | H15 | 119.5° | 120.0° |
| O10 | C04 | C03 | 122.5° | 119.9° |
| O10 | C04 | C05 | 121.8° | 120.0° |
| C25 | C26 | O27 | 116.9° | 120.0° |
| C25 | C26 | O28 | 118.0° | 120.0° |
| C26 | C25 | H1 | 105.6° | 109.7° |
| O27 | C26 | O28 | 125.1° | 120.0° |
| C26 | O28 | H20 | 109.5° | 117.0° |
| C03 | C04 | C05 | 115.7° | 120.1° |
| C04 | C03 | C02 | 124.3° | 120.1° |
| C04 | C03 | H11 | 117.8° | 119.9° |
| C04 | C05 | C06 | 120.3° | 120.1° |
| C04 | C05 | H12 | 119.8° | 119.9° |
| C03 | C02 | C01 | 118.6° | 120.0° |
| C03 | C02 | C07 | 119.8° | 119.9° |
| C02 | C03 | H11 | 117.8° | 120.0° |
| C05 | C06 | C07 | 123.6° | 119.9° |
| C06 | C05 | H12 | 119.8° | 120.0° |
| C05 | C06 | H13 | 118.2° | 120.0° |
| C01 | C02 | C07 | 121.6° | 120.0° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C07 | C06 | 116.2° | 119.8° |
| C02 | C07 | C08 | 120.6° | 120.1° |
| C06 | C07 | C08 | 123.2° | 120.1° |
| C07 | C06 | H13 | 118.2° | 120.0° |
| C07 | C08 | N09 | 179.9° | 180.0° |
| H4 | C21 | H5 | 109.5° | 109.7° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.4° |
| H9 | C01 | H10 | 109.4° | 109.4° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | O23 | H6 | 120.0° | 119.9° |
| C21 | C22 | O23 | H7 | 120.0° | 119.9° |
| C22 | C21 | N20 | H4 | 120.7° | 119.8° |
| C22 | C21 | N20 | H5 | 120.7° | 119.8° |
| C21 | C22 | O23 | C24 | 55.9° | 62.6° |
| C22 | C21 | N20 | C18 | 129.0° | 129.5° |
| C22 | C21 | N20 | C25 | 49.5° | 50.5° |
| C22 | C21 | H4 | H5 | 117.7° | 120.6° |
| C21 | C22 | H6 | H7 | 120.0° | 120.2° |
| O23 | C22 | C21 | N20 | 4.3° | 52.3° |
| C22 | O23 | C24 | C25 | 72.1° | 62.6° |
| O23 | C22 | C21 | H4 | 116.5° | 172.0° |
| O23 | C22 | C21 | H5 | 125.0° | 67.4° |
| O23 | C22 | H6 | H7 | 120.0° | 120.1° |
| C22 | O23 | C24 | H18 | 167.7° | 57.3° |
| C22 | O23 | C24 | H19 | 48.2° | 177.4° |
| C21 | N20 | C18 | C17 | 0.9° | 3.8° |
| C21 | N20 | C25 | C24 | 34.3° | 50.5° |
| C21 | N20 | C18 | C25 | 178.1° | 180.0° |
| C21 | N20 | C18 | O19 | 179.7° | 176.1° |
| C21 | N20 | C25 | C26 | 94.8° | 170.2° |
| C21 | N20 | C25 | H1 | 148.7° | 69.2° |
| N20 | C21 | H4 | H5 | 117.7° | 120.4° |
| N20 | C21 | C22 | H6 | 115.7° | 172.2° |
| N20 | C21 | C22 | H7 | 124.3° | 67.6° |
| O23 | C24 | C25 | H18 | 120.2° | 119.9° |
| O23 | C24 | C25 | H19 | 120.3° | 120.0° |
| O23 | C24 | C25 | N20 | 22.8° | 52.3° |
| O23 | C24 | C25 | C26 | 152.7° | 172.0° |
| O23 | C24 | C25 | H1 | 91.8° | 67.5° |
| C24 | O23 | C22 | H6 | 175.9° | 177.5° |
| C24 | O23 | C22 | H7 | 64.1° | 57.3° |
| O23 | C24 | H18 | H19 | 119.2° | 120.1° |
| C14 | C17 | C18 | H16 | 123.1° | 119.9° |
| C14 | C17 | C18 | H17 | 123.1° | 120.0° |
| C17 | C14 | C13 | C15 | 178.2° | 180.0° |
| C17 | C14 | C13 | C12 | 179.2° | 180.0° |
| C14 | C17 | C18 | N20 | 160.1° | 180.0° |
| C17 | C14 | C15 | C16 | 178.6° | 179.8° |
| C14 | C17 | C18 | O19 | 19.4° | 0.0° |
| C17 | C14 | C13 | H3 | 0.8° | 0.0° |
| C17 | C14 | C15 | H14 | 1.4° | 0.0° |
| C14 | C17 | H16 | H17 | 108.8° | 120.0° |
| C18 | C17 | C14 | C13 | 91.4° | 90.0° |
| C18 | C17 | C14 | C15 | 86.8° | 90.0° |
| C17 | C18 | N20 | O19 | 179.5° | 180.0° |
| C17 | C18 | N20 | C25 | 179.0° | 176.2° |
| C18 | C17 | H16 | H17 | 108.8° | 120.0° |
| C14 | C13 | C12 | H3 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 1.2° | 0.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.3° |
| C14 | C13 | C12 | H2 | 178.8° | 179.8° |
| C13 | C14 | C15 | H14 | 179.5° | 180.0° |
| C13 | C14 | C17 | H16 | 145.5° | 150.0° |
| C13 | C14 | C17 | H17 | 31.8° | 30.0° |
| C12 | C13 | C14 | C15 | 1.0° | 0.0° |
| C13 | C12 | C11 | H2 | 180.0° | 179.8° |
| C13 | C12 | C11 | O10 | 179.0° | 179.8° |
| C13 | C12 | C11 | C16 | 0.7° | 0.2° |
| C14 | C15 | C16 | H14 | 180.0° | 179.7° |
| C14 | C15 | C16 | C11 | 0.0° | 0.5° |
| C15 | C14 | C13 | H3 | 178.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C17 | H16 | 36.4° | 30.0° |
| C15 | C14 | C17 | H17 | 150.1° | 150.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.5° |
| C12 | C11 | O10 | C16 | 178.3° | 180.0° |
| C12 | C11 | O10 | C04 | 100.3° | 4.8° |
| C11 | C12 | C13 | H3 | 178.8° | 180.0° |
| C12 | C11 | C16 | H15 | 179.9° | 180.0° |
| C24 | C25 | N20 | C18 | 143.8° | 129.5° |
| C24 | C25 | N20 | C26 | 129.1° | 119.7° |
| C24 | C25 | N20 | H1 | 114.4° | 119.7° |
| C24 | C25 | C26 | H1 | 115.8° | 120.5° |
| C24 | C25 | C26 | O27 | 3.0° | 55.2° |
| C24 | C25 | C26 | O28 | 176.7° | 124.8° |
| C25 | C24 | H18 | H19 | 119.2° | 120.1° |
| C18 | N20 | C25 | C26 | 87.1° | 9.8° |
| C18 | N20 | C25 | H1 | 29.4° | 110.8° |
| C18 | N20 | C21 | H4 | 110.3° | 9.7° |
| C18 | N20 | C21 | H5 | 8.2° | 110.8° |
| N20 | C18 | C17 | H16 | 76.7° | 60.1° |
| N20 | C18 | C17 | H17 | 37.0° | 60.0° |
| C25 | N20 | C18 | O19 | 1.6° | 3.9° |
| N20 | C25 | C26 | H1 | 117.0° | 120.5° |
| N20 | C25 | C26 | O27 | 124.2° | 63.7° |
| N20 | C25 | C26 | O28 | 56.1° | 116.2° |
| C25 | N20 | C21 | H4 | 71.3° | 170.3° |
| C25 | N20 | C21 | H5 | 170.2° | 69.2° |
| N20 | C25 | C24 | H18 | 143.0° | 67.6° |
| N20 | C25 | C24 | H19 | 97.5° | 172.3° |
| C15 | C16 | C11 | O10 | 178.5° | 179.5° |
| C15 | C16 | C11 | H15 | 180.0° | 179.5° |
| C11 | O10 | C04 | C03 | 179.4° | 104.6° |
| C11 | O10 | C04 | C05 | 0.5° | 75.3° |
| O10 | C11 | C12 | H2 | 0.9° | 0.0° |
| O10 | C11 | C16 | H15 | 1.5° | 0.0° |
| C16 | C11 | O10 | C04 | 81.3° | 175.2° |
| C16 | C11 | C12 | H2 | 179.3° | 180.0° |
| C11 | C16 | C15 | H14 | 180.0° | 179.7° |
| O10 | C04 | C03 | C05 | 179.9° | 179.9° |
| O10 | C04 | C03 | C02 | 179.6° | 180.0° |
| O10 | C04 | C05 | C06 | 179.8° | 180.0° |
| O10 | C04 | C03 | H11 | 0.4° | 0.0° |
| O10 | C04 | C05 | H12 | 0.2° | 0.0° |
| O19 | C18 | C17 | H16 | 103.8° | 120.0° |
| O19 | C18 | C17 | H17 | 142.5° | 120.0° |
| C25 | C26 | O27 | O28 | 179.6° | 180.0° |
| C26 | C25 | C24 | H18 | 87.1° | 52.1° |
| C26 | C25 | C24 | H19 | 32.4° | 68.0° |
| C25 | C26 | O28 | H20 | 179.7° | 179.9° |
| O27 | C26 | C25 | H1 | 118.8° | 175.8° |
| O27 | C26 | O28 | H20 | 0.0° | 0.0° |
| O28 | C26 | C25 | H1 | 60.9° | 4.3° |
| C04 | C03 | C02 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C04 | C03 | C02 | C01 | 180.0° | 179.9° |
| C04 | C03 | C02 | C07 | 0.9° | 0.2° |
| C03 | C04 | C05 | H12 | 179.9° | 180.0° |
| C05 | C04 | C03 | C02 | 0.5° | 0.1° |
| C04 | C05 | C06 | H12 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.2° |
| C05 | C04 | C03 | H11 | 179.5° | 179.9° |
| C04 | C05 | C06 | H13 | 179.6° | 180.0° |
| C03 | C02 | C01 | C07 | 179.1° | 179.7° |
| C03 | C02 | C07 | C06 | 0.6° | 0.5° |
| C03 | C02 | C07 | C08 | 179.4° | 179.7° |
| C03 | C02 | C01 | H8 | 89.6° | 89.8° |
| C03 | C02 | C01 | H9 | 150.4° | 30.3° |
| C03 | C02 | C01 | H10 | 30.4° | 150.3° |
| C05 | C06 | C07 | C02 | 0.0° | 0.5° |
| C05 | C06 | C07 | H13 | 180.0° | 179.8° |
| C05 | C06 | C07 | C08 | 180.0° | 179.7° |
| C01 | C02 | C07 | C06 | 179.7° | 179.8° |
| C01 | C02 | C07 | C08 | 0.3° | 0.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.1° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H11 | 0.0° | 0.1° |
| C02 | C07 | C06 | C08 | 180.0° | 179.8° |
| C02 | C07 | C08 | N09 | 1.0° | 134.9° |
| C07 | C02 | C01 | H8 | 89.6° | 90.0° |
| C07 | C02 | C01 | H9 | 30.5° | 150.0° |
| C07 | C02 | C01 | H10 | 150.4° | 30.0° |
| C07 | C02 | C03 | H11 | 179.2° | 179.8° |
| C02 | C07 | C06 | H13 | 180.0° | 179.7° |
| C06 | C07 | C08 | N09 | 179.0° | 45.3° |
| C07 | C06 | C05 | H12 | 179.6° | 179.8° |
| C08 | C07 | C06 | H13 | 0.0° | 0.1° |
| H1 | C25 | C24 | H18 | 28.4° | 172.6° |
| H1 | C25 | C24 | H19 | 147.9° | 52.6° |
| H2 | C12 | C13 | H3 | 1.2° | 0.2° |
| H4 | C21 | C22 | H6 | 123.5° | 68.0° |
| H4 | C21 | C22 | H7 | 3.5° | 52.1° |
| H5 | C21 | C22 | H6 | 5.0° | 52.5° |
| H5 | C21 | C22 | H7 | 115.0° | 172.7° |
| H8 | C01 | H9 | H10 | 120.0° | 119.9° |
| H12 | C05 | C06 | H13 | 0.4° | 0.0° |
| H14 | C15 | C16 | H15 | 0.0° | 0.2° |
