O9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C22 | S19 | sing | 1.76Å | 1.78Å | |
| F04 | C03 | sing | 1.35Å | 1.34Å | |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| O21 | S19 | doub | 1.42Å | 1.43Å | |
| C03 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| S19 | O20 | doub | 1.42Å | 1.43Å | |
| S19 | N18 | sing | 1.66Å | 1.64Å | |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| N17 | N18 | sing | 1.40Å | 1.38Å | |
| N17 | C15 | sing | 1.35Å | 1.42Å | |
| C05 | C15 | sing | 1.48Å | 1.51Å | |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | O16 | doub | 1.22Å | 1.21Å | |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C09 | sing | 1.48Å | 1.51Å | |
| N14 | C09 | doub | 1.33Å | 1.32Å | Aromatic |
| N14 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C09 | N10 | sing | 1.33Å | 1.32Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| N10 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| N17 | H14 | sing | 0.97Å | 1.00Å | |
| N18 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 120.3° | 120.0° |
| C25 | C24 | C23 | 120.0° | 120.0° |
| C25 | C24 | H2 | 120.0° | 120.0° |
| C24 | C25 | H12 | 119.9° | 120.0° |
| C25 | C26 | C27 | 119.8° | 120.0° |
| C25 | C26 | H3 | 120.1° | 120.0° |
| C26 | C25 | H12 | 119.9° | 120.0° |
| C24 | C23 | C22 | 119.7° | 120.0° |
| C23 | C24 | H2 | 120.0° | 120.0° |
| C24 | C23 | H11 | 120.1° | 120.0° |
| C26 | C27 | C22 | 120.2° | 120.0° |
| C27 | C26 | H3 | 120.1° | 120.0° |
| C26 | C27 | H13 | 119.9° | 120.0° |
| C23 | C22 | C27 | 120.0° | 120.0° |
| C23 | C22 | S19 | 120.4° | 120.0° |
| C22 | C23 | H11 | 120.1° | 120.0° |
| C27 | C22 | S19 | 119.6° | 120.0° |
| C22 | C27 | H13 | 119.9° | 120.0° |
| C01 | C02 | C03 | 119.8° | 119.9° |
| C01 | C02 | C08 | 120.8° | 119.9° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C22 | S19 | O21 | 110.6° | 106.4° |
| C22 | S19 | O20 | 111.6° | 106.4° |
| C22 | S19 | N18 | 112.4° | 107.2° |
| F04 | C03 | C02 | 120.1° | 120.0° |
| F04 | C03 | C05 | 119.2° | 120.0° |
| C03 | C02 | C08 | 119.4° | 120.2° |
| C02 | C03 | C05 | 120.6° | 120.0° |
| C02 | C08 | C07 | 119.5° | 120.2° |
| C02 | C08 | H8 | 120.2° | 119.8° |
| O21 | S19 | O20 | 100.2° | 123.2° |
| O21 | S19 | N18 | 110.5° | 106.4° |
| C03 | C05 | C15 | 118.7° | 120.1° |
| C03 | C05 | C06 | 120.3° | 119.8° |
| O20 | S19 | N18 | 110.9° | 106.4° |
| S19 | N18 | N17 | 117.7° | 120.0° |
| S19 | N18 | H15 | 107.4° | 120.0° |
| C08 | C07 | C06 | 121.3° | 120.0° |
| C08 | C07 | C09 | 119.9° | 120.0° |
| C07 | C08 | H8 | 120.3° | 119.9° |
| N18 | N17 | C15 | 122.7° | 120.0° |
| N18 | N17 | H14 | 118.7° | 120.0° |
| N17 | N18 | H15 | 107.4° | 120.0° |
| N17 | C15 | C05 | 116.8° | 120.0° |
| N17 | C15 | O16 | 121.9° | 120.0° |
| C15 | N17 | H14 | 118.7° | 120.0° |
| C15 | C05 | C06 | 121.0° | 120.1° |
| C05 | C15 | O16 | 121.3° | 120.0° |
| C05 | C06 | C07 | 118.8° | 119.8° |
| C05 | C06 | H7 | 120.6° | 120.2° |
| C06 | C07 | C09 | 118.9° | 120.1° |
| C07 | C06 | H7 | 120.6° | 120.1° |
| C07 | C09 | N14 | 117.1° | 119.3° |
| C07 | C09 | N10 | 118.5° | 119.2° |
| C09 | N14 | C13 | 119.4° | 120.7° |
| N14 | C09 | N10 | 124.4° | 121.6° |
| N14 | C13 | C12 | 118.7° | 119.2° |
| N14 | C13 | H1 | 120.6° | 120.4° |
| C09 | N10 | C11 | 120.4° | 120.7° |
| C13 | C12 | C11 | 119.4° | 118.5° |
| C12 | C13 | H1 | 120.6° | 120.4° |
| C13 | C12 | H10 | 120.3° | 120.8° |
| N10 | C11 | C12 | 117.7° | 119.3° |
| N10 | C11 | H9 | 121.1° | 120.4° |
| C12 | C11 | H9 | 121.2° | 120.4° |
| C11 | C12 | H10 | 120.3° | 120.7° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H12 | 180.0° | 179.8° |
| C25 | C24 | C23 | H2 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.3° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | C26 | H3 | 179.9° | 179.7° |
| C25 | C24 | C23 | H11 | 179.9° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.3° |
| C25 | C26 | C27 | H3 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.1° | 0.0° |
| C26 | C25 | C24 | H2 | 180.0° | 179.8° |
| C25 | C26 | C27 | H13 | 179.9° | 180.0° |
| C24 | C23 | C22 | H11 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.1° | 0.3° |
| C24 | C23 | C22 | S19 | 179.6° | 180.0° |
| C23 | C24 | C25 | H12 | 180.0° | 179.9° |
| C26 | C27 | C22 | C23 | 0.0° | 0.3° |
| C26 | C27 | C22 | H13 | 180.0° | 180.0° |
| C26 | C27 | C22 | S19 | 179.7° | 180.0° |
| C27 | C26 | C25 | H12 | 179.9° | 180.0° |
| C23 | C22 | C27 | S19 | 179.7° | 179.7° |
| C23 | C22 | S19 | O21 | 51.8° | 23.5° |
| C23 | C22 | S19 | O20 | 162.5° | 156.5° |
| C23 | C22 | S19 | N18 | 72.2° | 90.0° |
| C22 | C23 | C24 | H2 | 179.9° | 180.0° |
| C23 | C22 | C27 | H13 | 180.0° | 179.7° |
| C27 | C22 | S19 | O21 | 127.8° | 156.2° |
| C27 | C22 | S19 | O20 | 17.2° | 23.2° |
| C27 | C22 | S19 | N18 | 108.1° | 90.3° |
| C22 | C27 | C26 | H3 | 179.9° | 180.0° |
| C27 | C22 | C23 | H11 | 179.9° | 179.7° |
| C01 | C02 | C03 | F04 | 0.5° | 0.1° |
| C01 | C02 | C03 | C08 | 180.0° | 179.6° |
| C01 | C02 | C03 | C05 | 179.7° | 180.0° |
| C01 | C02 | C08 | C07 | 179.8° | 179.8° |
| C02 | C01 | H4 | H5 | 120.0° | 119.9° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | C08 | H8 | 0.2° | 0.0° |
| C22 | S19 | O21 | O20 | 117.8° | 122.9° |
| C22 | S19 | O21 | N18 | 125.2° | 114.1° |
| C22 | S19 | O20 | N18 | 126.2° | 114.1° |
| C22 | S19 | N18 | N17 | 78.4° | 60.0° |
| S19 | C22 | C23 | H11 | 0.4° | 0.0° |
| S19 | C22 | C27 | H13 | 0.3° | 0.1° |
| C22 | S19 | N18 | H15 | 160.5° | 120.0° |
| F04 | C03 | C02 | C05 | 179.2° | 179.9° |
| F04 | C03 | C02 | C08 | 179.5° | 179.8° |
| F04 | C03 | C05 | C15 | 1.3° | 0.0° |
| F04 | C03 | C05 | C06 | 179.7° | 180.0° |
| C03 | C02 | C08 | C07 | 0.2° | 0.6° |
| C02 | C03 | C05 | C15 | 179.5° | 179.9° |
| C02 | C03 | C05 | C06 | 0.5° | 0.0° |
| C03 | C02 | C01 | H4 | 90.0° | 90.1° |
| C03 | C02 | C01 | H5 | 150.0° | 150.0° |
| C03 | C02 | C01 | H6 | 30.0° | 29.9° |
| C03 | C02 | C08 | H8 | 179.8° | 179.6° |
| C08 | C02 | C03 | C05 | 0.3° | 0.3° |
| C02 | C08 | C07 | H8 | 180.0° | 179.8° |
| C02 | C08 | C07 | C06 | 0.3° | 0.5° |
| C02 | C08 | C07 | C09 | 179.5° | 179.7° |
| C08 | C02 | C01 | H4 | 90.0° | 90.3° |
| C08 | C02 | C01 | H5 | 30.0° | 29.7° |
| C08 | C02 | C01 | H6 | 150.0° | 149.7° |
| O21 | S19 | O20 | N18 | 116.7° | 123.0° |
| O21 | S19 | N18 | N17 | 45.8° | 173.5° |
| O21 | S19 | N18 | H15 | 75.4° | 6.5° |
| C03 | C05 | C15 | N17 | 41.3° | 180.0° |
| C03 | C05 | C15 | C06 | 179.0° | 179.9° |
| C03 | C05 | C15 | O16 | 139.3° | 0.1° |
| C03 | C05 | C06 | C07 | 0.7° | 0.0° |
| C03 | C05 | C06 | H7 | 179.3° | 180.0° |
| O20 | S19 | N18 | N17 | 155.9° | 53.5° |
| O20 | S19 | N18 | H15 | 34.7° | 126.5° |
| S19 | N18 | N17 | H15 | 121.2° | 180.0° |
| S19 | N18 | N17 | C15 | 101.1° | 125.0° |
| S19 | N18 | N17 | H14 | 78.9° | 55.0° |
| C08 | C07 | C06 | C05 | 0.6° | 0.3° |
| C08 | C07 | C06 | C09 | 179.2° | 179.8° |
| C08 | C07 | C09 | N14 | 37.6° | 0.2° |
| C08 | C07 | C09 | N10 | 142.6° | 179.7° |
| C08 | C07 | C06 | H7 | 179.4° | 179.8° |
| N18 | N17 | C15 | H14 | 180.0° | 179.9° |
| N18 | N17 | C15 | C05 | 179.9° | 180.0° |
| N18 | N17 | C15 | O16 | 0.5° | 0.0° |
| N17 | C15 | C05 | O16 | 179.4° | 179.9° |
| N17 | C15 | C05 | C06 | 137.7° | 0.0° |
| C15 | N17 | N18 | H15 | 20.1° | 55.0° |
| C15 | C05 | C06 | C07 | 179.6° | 179.9° |
| C15 | C05 | C06 | H7 | 0.4° | 0.0° |
| C05 | C15 | N17 | H14 | 0.1° | 0.0° |
| C06 | C05 | C15 | O16 | 41.7° | 180.0° |
| C05 | C06 | C07 | H7 | 180.0° | 179.9° |
| C05 | C06 | C07 | C09 | 179.8° | 180.0° |
| O16 | C15 | N17 | H14 | 179.5° | 179.9° |
| C06 | C07 | C09 | N14 | 141.6° | 180.0° |
| C06 | C07 | C09 | N10 | 38.2° | 0.0° |
| C06 | C07 | C08 | H8 | 179.6° | 179.7° |
| C07 | C09 | N14 | N10 | 179.8° | 180.0° |
| C07 | C09 | N14 | C13 | 179.6° | 180.0° |
| C07 | C09 | N10 | C11 | 179.9° | 179.8° |
| C09 | C07 | C06 | H7 | 0.2° | 0.0° |
| C09 | C07 | C08 | H8 | 0.4° | 0.1° |
| C09 | N14 | C13 | C12 | 0.3° | 0.0° |
| N14 | C09 | N10 | C11 | 0.1° | 0.2° |
| C09 | N14 | C13 | H1 | 179.7° | 179.7° |
| C13 | N14 | C09 | N10 | 0.2° | 0.0° |
| N14 | C13 | C12 | H1 | 180.0° | 179.7° |
| N14 | C13 | C12 | C11 | 0.1° | 0.2° |
| N14 | C13 | C12 | H10 | 179.9° | 179.8° |
| C09 | N10 | C11 | C12 | 0.3° | 0.4° |
| C09 | N10 | C11 | H9 | 179.6° | 180.0° |
| C13 | C12 | C11 | N10 | 0.2° | 0.4° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | H9 | 179.7° | 179.9° |
| N10 | C11 | C12 | H9 | 180.0° | 179.6° |
| N10 | C11 | C12 | H10 | 179.8° | 179.6° |
| C11 | C12 | C13 | H1 | 179.9° | 180.0° |
| H1 | C13 | C12 | H10 | 0.1° | 0.1° |
| H2 | C24 | C23 | H11 | 0.1° | 0.1° |
| H2 | C24 | C25 | H12 | 0.0° | 0.0° |
| H3 | C26 | C25 | H12 | 0.1° | 0.1° |
| H3 | C26 | C27 | H13 | 0.2° | 0.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.1° |
| H9 | C11 | C12 | H10 | 0.3° | 0.0° |
| H14 | N17 | N18 | H15 | 159.9° | 125.0° |
