M0R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | O27 | sing | 1.43Å | 1.42Å | |
| O27 | C26 | sing | 1.36Å | 1.36Å | |
| C26 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| O16 | C15 | sing | 1.36Å | 1.39Å | |
| O16 | C17 | sing | 1.43Å | 1.41Å | |
| C29 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C14 | doub | 1.37Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C18 | O19 | sing | 1.43Å | 1.40Å | |
| C12 | N11 | doub | 1.34Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.37Å | Aromatic |
| O19 | C20 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.40Å | 1.45Å | Aromatic |
| N11 | C10 | sing | 1.31Å | 1.35Å | Aromatic |
| C13 | C08 | doub | 1.42Å | 1.43Å | Aromatic |
| C21 | O22 | sing | 1.43Å | 1.42Å | |
| C10 | N09 | doub | 1.33Å | 1.39Å | Aromatic |
| C08 | N09 | sing | 1.32Å | 1.36Å | Aromatic |
| C08 | N07 | sing | 1.39Å | 1.41Å | |
| O22 | C23 | sing | 1.43Å | 1.41Å | |
| N07 | C06 | sing | 1.41Å | 1.36Å | |
| C23 | C24 | sing | 1.53Å | 1.59Å | |
| O25 | C24 | sing | 1.43Å | 1.42Å | |
| O25 | C05 | sing | 1.36Å | 1.42Å | |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.73Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.08Å | 1.08Å | |
| C04 | H21 | sing | 1.08Å | 1.08Å | |
| N07 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | O27 | C26 | 117.0° | 117.0° |
| O27 | C28 | H17 | 109.5° | 109.5° |
| O27 | C28 | H18 | 109.4° | 109.5° |
| O27 | C28 | H19 | 109.5° | 109.5° |
| O27 | C26 | C29 | 119.7° | 119.6° |
| O27 | C26 | C15 | 118.8° | 119.6° |
| C29 | C26 | C15 | 121.5° | 120.8° |
| C26 | C29 | C12 | 117.5° | 119.6° |
| C26 | C29 | H13 | 121.3° | 120.2° |
| C26 | C15 | O16 | 118.8° | 120.0° |
| C26 | C15 | C14 | 120.8° | 120.7° |
| C15 | O16 | C17 | 121.1° | 116.9° |
| O16 | C15 | C14 | 120.4° | 119.4° |
| O16 | C17 | C18 | 111.0° | 109.6° |
| O16 | C17 | H1 | 109.1° | 109.5° |
| O16 | C17 | H2 | 109.1° | 109.4° |
| C29 | C12 | N11 | 115.9° | 122.2° |
| C29 | C12 | C13 | 121.5° | 119.4° |
| C12 | C29 | H13 | 121.2° | 120.2° |
| C15 | C14 | C13 | 118.3° | 119.7° |
| C15 | C14 | H12 | 120.8° | 120.2° |
| C17 | C18 | O19 | 112.1° | 109.4° |
| C18 | C17 | H1 | 109.1° | 109.5° |
| C18 | C17 | H2 | 109.1° | 109.5° |
| C17 | C18 | H3 | 108.8° | 109.5° |
| C17 | C18 | H4 | 108.8° | 109.5° |
| C18 | O19 | C20 | 113.5° | 114.1° |
| O19 | C18 | H3 | 108.8° | 109.5° |
| O19 | C18 | H4 | 108.8° | 109.5° |
| N11 | C12 | C13 | 122.6° | 118.5° |
| C12 | N11 | C10 | 114.5° | 120.6° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C12 | C13 | C08 | 119.3° | 118.2° |
| O19 | C20 | C21 | 110.1° | 109.4° |
| O19 | C20 | H5 | 109.3° | 109.5° |
| O19 | C20 | H6 | 109.3° | 109.5° |
| C20 | C21 | O22 | 109.2° | 109.5° |
| C21 | C20 | H5 | 109.3° | 109.5° |
| C21 | C20 | H6 | 109.3° | 109.5° |
| C20 | C21 | H7 | 109.5° | 109.5° |
| C20 | C21 | H8 | 109.5° | 109.5° |
| C14 | C13 | C08 | 120.3° | 121.8° |
| C13 | C14 | H12 | 120.8° | 120.1° |
| N11 | C10 | N09 | 126.9° | 123.0° |
| N11 | C10 | H11 | 116.6° | 118.5° |
| C13 | C08 | N09 | 119.3° | 118.5° |
| C13 | C08 | N07 | 120.1° | 119.6° |
| C21 | O22 | C23 | 113.7° | 114.1° |
| O22 | C21 | H7 | 109.5° | 109.4° |
| O22 | C21 | H8 | 109.6° | 109.5° |
| C10 | N09 | C08 | 117.4° | 121.2° |
| N09 | C10 | H11 | 116.6° | 118.5° |
| N09 | C08 | N07 | 120.5° | 121.9° |
| C08 | N07 | C06 | 130.4° | 117.8° |
| C08 | N07 | H22 | 114.8° | 121.2° |
| O22 | C23 | C24 | 112.6° | 109.5° |
| O22 | C23 | H9 | 108.7° | 109.4° |
| O22 | C23 | H10 | 108.7° | 109.4° |
| N07 | C06 | C05 | 122.0° | 119.1° |
| N07 | C06 | C30 | 120.6° | 120.8° |
| C06 | N07 | H22 | 114.8° | 121.1° |
| C23 | C24 | O25 | 111.4° | 109.5° |
| C24 | C23 | H9 | 108.7° | 109.5° |
| C24 | C23 | H10 | 108.7° | 109.5° |
| C23 | C24 | H15 | 109.0° | 109.5° |
| C23 | C24 | H16 | 109.0° | 109.5° |
| C24 | O25 | C05 | 119.3° | 117.8° |
| O25 | C24 | H15 | 109.0° | 109.4° |
| O25 | C24 | H16 | 109.0° | 109.5° |
| O25 | C05 | C06 | 117.9° | 119.8° |
| O25 | C05 | C04 | 121.5° | 120.4° |
| C05 | C06 | C30 | 117.4° | 120.1° |
| C06 | C05 | C04 | 120.6° | 119.8° |
| C06 | C30 | C02 | 120.9° | 119.8° |
| C06 | C30 | H14 | 119.6° | 120.1° |
| C05 | C04 | C03 | 121.7° | 119.9° |
| C05 | C04 | H21 | 119.2° | 120.1° |
| C30 | C02 | C03 | 122.9° | 120.1° |
| C30 | C02 | CL01 | 119.1° | 119.9° |
| C02 | C30 | H14 | 119.5° | 120.1° |
| C04 | C03 | C02 | 116.6° | 120.3° |
| C04 | C03 | H20 | 121.7° | 119.9° |
| C03 | C04 | H21 | 119.2° | 120.0° |
| C03 | C02 | CL01 | 118.1° | 120.0° |
| C02 | C03 | H20 | 121.7° | 119.9° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H3 | C18 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H9 | C23 | H10 | 109.5° | 109.4° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.5° |
| H17 | C28 | H19 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | O27 | C26 | C29 | 3.9° | 0.0° |
| C28 | O27 | C26 | C15 | 176.2° | 180.0° |
| O27 | C28 | H17 | H18 | 120.0° | 120.0° |
| O27 | C28 | H17 | H19 | 120.0° | 120.0° |
| O27 | C28 | H18 | H19 | 120.0° | 120.0° |
| O27 | C26 | C29 | C15 | 179.9° | 180.0° |
| O27 | C26 | C15 | O16 | 0.0° | 1.4° |
| O27 | C26 | C29 | C12 | 179.8° | 180.0° |
| O27 | C26 | C15 | C14 | 179.6° | 179.1° |
| O27 | C26 | C29 | H13 | 0.2° | 0.1° |
| C26 | O27 | C28 | H17 | 180.0° | 179.9° |
| C26 | O27 | C28 | H18 | 60.0° | 60.0° |
| C26 | O27 | C28 | H19 | 60.0° | 60.0° |
| C29 | C26 | C15 | O16 | 179.9° | 178.6° |
| C26 | C29 | C12 | H13 | 180.0° | 180.0° |
| C29 | C26 | C15 | C14 | 0.3° | 0.9° |
| C26 | C29 | C12 | N11 | 179.5° | 178.4° |
| C26 | C29 | C12 | C13 | 0.2° | 1.3° |
| C26 | C15 | O16 | C14 | 179.6° | 179.5° |
| C26 | C15 | O16 | C17 | 178.6° | 147.7° |
| C15 | C26 | C29 | C12 | 0.1° | 0.0° |
| C26 | C15 | C14 | C13 | 0.3° | 0.5° |
| C26 | C15 | C14 | H12 | 179.7° | 179.5° |
| C15 | C26 | C29 | H13 | 179.9° | 179.9° |
| C15 | O16 | C17 | C18 | 104.5° | 107.7° |
| O16 | C15 | C14 | C13 | 179.9° | 179.0° |
| C15 | O16 | C17 | H1 | 15.8° | 132.2° |
| C15 | O16 | C17 | H2 | 135.3° | 12.2° |
| O16 | C15 | C14 | H12 | 0.1° | 0.9° |
| C17 | O16 | C15 | C14 | 1.0° | 32.7° |
| O16 | C17 | C18 | H1 | 120.2° | 120.1° |
| O16 | C17 | C18 | H2 | 120.2° | 119.9° |
| O16 | C17 | C18 | O19 | 83.4° | 179.7° |
| O16 | C17 | H1 | H2 | 119.3° | 119.9° |
| O16 | C17 | C18 | H3 | 156.2° | 60.3° |
| O16 | C17 | C18 | H4 | 37.0° | 59.8° |
| C29 | C12 | N11 | C13 | 179.3° | 179.7° |
| C29 | C12 | C13 | C14 | 0.2° | 1.7° |
| C29 | C12 | N11 | C10 | 179.3° | 179.7° |
| C29 | C12 | C13 | C08 | 179.2° | 178.8° |
| C15 | C14 | C13 | C12 | 0.0° | 0.8° |
| C15 | C14 | C13 | H12 | 180.0° | 180.0° |
| C15 | C14 | C13 | C08 | 179.5° | 179.7° |
| C17 | C18 | O19 | H3 | 120.4° | 120.0° |
| C17 | C18 | O19 | H4 | 120.4° | 120.0° |
| C17 | C18 | O19 | C20 | 171.7° | 164.1° |
| C18 | C17 | H1 | H2 | 119.3° | 120.0° |
| C17 | C18 | H3 | H4 | 118.8° | 120.1° |
| C18 | O19 | C20 | C21 | 126.2° | 140.5° |
| O19 | C18 | C17 | H1 | 36.8° | 60.2° |
| O19 | C18 | C17 | H2 | 156.4° | 59.8° |
| O19 | C18 | H3 | H4 | 118.8° | 120.1° |
| C18 | O19 | C20 | H5 | 6.1° | 20.6° |
| C18 | O19 | C20 | H6 | 113.7° | 99.5° |
| N11 | C12 | C13 | C14 | 179.5° | 178.0° |
| N11 | C12 | C13 | C08 | 0.0° | 1.5° |
| C12 | N11 | C10 | N09 | 0.1° | 0.9° |
| C12 | N11 | C10 | H11 | 179.9° | 179.2° |
| N11 | C12 | C29 | H13 | 0.5° | 1.7° |
| C12 | C13 | C14 | C08 | 179.4° | 179.5° |
| C13 | C12 | N11 | C10 | 0.0° | 0.0° |
| C12 | C13 | C08 | N09 | 0.2° | 2.2° |
| C12 | C13 | C08 | N07 | 179.9° | 176.2° |
| C12 | C13 | C14 | H12 | 179.9° | 179.1° |
| C13 | C12 | C29 | H13 | 179.8° | 178.6° |
| O19 | C20 | C21 | H5 | 120.1° | 120.0° |
| O19 | C20 | C21 | H6 | 120.1° | 120.0° |
| O19 | C20 | C21 | O22 | 40.1° | 115.2° |
| C20 | O19 | C18 | H3 | 51.3° | 76.0° |
| C20 | O19 | C18 | H4 | 67.9° | 44.1° |
| O19 | C20 | H5 | H6 | 119.7° | 120.0° |
| O19 | C20 | C21 | H7 | 79.9° | 4.8° |
| O19 | C20 | C21 | H8 | 160.0° | 124.8° |
| C20 | C21 | O22 | H7 | 119.9° | 120.0° |
| C20 | C21 | O22 | H8 | 120.0° | 120.1° |
| C20 | C21 | O22 | C23 | 152.7° | 137.6° |
| C21 | C20 | H5 | H6 | 119.7° | 120.0° |
| C20 | C21 | H7 | H8 | 120.1° | 120.0° |
| C14 | C13 | C08 | N09 | 179.7° | 177.2° |
| C14 | C13 | C08 | N07 | 0.7° | 4.3° |
| N11 | C10 | N09 | H11 | 180.0° | 179.9° |
| N11 | C10 | N09 | C08 | 0.3° | 0.1° |
| C13 | C08 | N09 | C10 | 0.3° | 1.4° |
| C13 | C08 | N09 | N07 | 179.7° | 178.4° |
| C13 | C08 | N07 | C06 | 173.6° | 171.2° |
| C08 | C13 | C14 | H12 | 0.5° | 0.3° |
| C13 | C08 | N07 | H22 | 6.4° | 8.8° |
| C21 | O22 | C23 | C24 | 153.9° | 152.1° |
| O22 | C21 | C20 | H5 | 160.1° | 4.8° |
| O22 | C21 | C20 | H6 | 80.0° | 124.8° |
| O22 | C21 | H7 | H8 | 120.1° | 119.9° |
| C21 | O22 | C23 | H9 | 33.4° | 87.8° |
| C21 | O22 | C23 | H10 | 85.6° | 32.1° |
| C10 | N09 | C08 | N07 | 180.0° | 177.0° |
| N09 | C08 | N07 | C06 | 6.7° | 10.4° |
| C08 | N09 | C10 | H11 | 179.7° | 180.0° |
| N09 | C08 | N07 | H22 | 173.3° | 169.6° |
| C08 | N07 | C06 | H22 | 180.0° | 180.0° |
| C08 | N07 | C06 | C05 | 116.1° | 173.3° |
| C08 | N07 | C06 | C30 | 63.8° | 8.0° |
| O22 | C23 | C24 | H9 | 120.5° | 120.0° |
| O22 | C23 | C24 | H10 | 120.5° | 120.0° |
| O22 | C23 | C24 | O25 | 22.6° | 116.8° |
| C23 | O22 | C21 | H7 | 87.4° | 17.6° |
| C23 | O22 | C21 | H8 | 32.7° | 102.3° |
| O22 | C23 | H9 | H10 | 118.6° | 119.9° |
| O22 | C23 | C24 | H15 | 97.7° | 123.2° |
| O22 | C23 | C24 | H16 | 142.9° | 3.2° |
| N07 | C06 | C05 | O25 | 0.3° | 3.0° |
| N07 | C06 | C05 | C30 | 179.8° | 178.7° |
| N07 | C06 | C05 | C04 | 180.0° | 177.8° |
| N07 | C06 | C30 | C02 | 179.8° | 177.9° |
| N07 | C06 | C30 | H14 | 0.2° | 2.1° |
| C23 | C24 | O25 | H15 | 120.3° | 120.0° |
| C23 | C24 | O25 | H16 | 120.3° | 120.0° |
| C23 | C24 | O25 | C05 | 169.9° | 178.9° |
| C24 | C23 | H9 | H10 | 118.6° | 120.0° |
| C23 | C24 | H15 | H16 | 119.1° | 120.0° |
| C24 | O25 | C05 | C06 | 169.7° | 129.1° |
| C24 | O25 | C05 | C04 | 10.6° | 51.7° |
| O25 | C24 | C23 | H9 | 143.1° | 123.2° |
| O25 | C24 | C23 | H10 | 97.8° | 3.2° |
| O25 | C24 | H15 | H16 | 119.1° | 120.0° |
| O25 | C05 | C06 | C04 | 179.7° | 179.2° |
| O25 | C05 | C06 | C30 | 179.5° | 178.3° |
| O25 | C05 | C04 | C03 | 179.3° | 178.8° |
| C05 | O25 | C24 | H15 | 49.7° | 61.1° |
| C05 | O25 | C24 | H16 | 69.8° | 58.9° |
| O25 | C05 | C04 | H21 | 0.7° | 1.2° |
| C05 | C06 | C30 | C02 | 0.0° | 0.8° |
| C06 | C05 | C04 | C03 | 0.4° | 0.4° |
| C05 | C06 | C30 | H14 | 180.0° | 179.2° |
| C06 | C05 | C04 | H21 | 179.6° | 179.6° |
| C05 | C06 | N07 | H22 | 63.9° | 6.7° |
| C30 | C06 | C05 | C04 | 0.2° | 0.9° |
| C06 | C30 | C02 | H14 | 180.0° | 180.0° |
| C06 | C30 | C02 | C03 | 0.0° | 0.2° |
| C06 | C30 | C02 | CL01 | 179.8° | 179.8° |
| C30 | C06 | N07 | H22 | 116.2° | 172.0° |
| C05 | C04 | C03 | H21 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.4° | 0.2° |
| C05 | C04 | C03 | H20 | 179.6° | 179.8° |
| C30 | C02 | C03 | C04 | 0.2° | 0.3° |
| C30 | C02 | C03 | CL01 | 179.8° | 180.0° |
| C30 | C02 | C03 | H20 | 179.8° | 179.7° |
| C04 | C03 | C02 | H20 | 180.0° | 180.0° |
| C04 | C03 | C02 | CL01 | 180.0° | 179.7° |
| C03 | C02 | C30 | H14 | 180.0° | 179.8° |
| C02 | C03 | C04 | H21 | 179.6° | 179.8° |
| CL01 | C02 | C30 | H14 | 0.2° | 0.2° |
| CL01 | C02 | C03 | H20 | 0.0° | 0.3° |
| H1 | C17 | C18 | H3 | 83.6° | 59.8° |
| H1 | C17 | C18 | H4 | 157.2° | 179.8° |
| H2 | C17 | C18 | H3 | 36.0° | 179.7° |
| H2 | C17 | C18 | H4 | 83.2° | 60.2° |
| H5 | C20 | C21 | H7 | 40.2° | 124.8° |
| H5 | C20 | C21 | H8 | 79.9° | 115.2° |
| H6 | C20 | C21 | H7 | 160.0° | 115.2° |
| H6 | C20 | C21 | H8 | 39.9° | 4.8° |
| H9 | C23 | C24 | H15 | 22.8° | 3.2° |
| H9 | C23 | C24 | H16 | 96.6° | 116.8° |
| H10 | C23 | C24 | H15 | 141.9° | 116.8° |
| H10 | C23 | C24 | H16 | 22.4° | 123.2° |
| H17 | C28 | H18 | H19 | 120.0° | 120.0° |
| H20 | C03 | C04 | H21 | 0.4° | 0.2° |
