RN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.36Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.36Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.41Å | 1.43Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.43Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.36Å | Aromatic |
| C04 | C07 | sing | 1.41Å | 1.43Å | Aromatic |
| C05 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.37Å | |
| C10 | C09 | doub | 1.37Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| O11 | C12 | sing | 1.43Å | 1.38Å | |
| C14 | O16 | sing | 1.43Å | 1.38Å | |
| C14 | C13 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| O15 | C13 | sing | 1.43Å | 1.38Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| O15 | H13 | sing | 0.97Å | 0.95Å | |
| O16 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.0° | 121.0° |
| C02 | C01 | C06 | 120.0° | 121.0° |
| C02 | C01 | H1 | 120.0° | 119.5° |
| C01 | C02 | H2 | 120.0° | 119.5° |
| C02 | C03 | C04 | 120.0° | 119.6° |
| C03 | C02 | H2 | 120.0° | 119.5° |
| C02 | C03 | H3 | 120.0° | 120.2° |
| C01 | C06 | C05 | 120.0° | 119.7° |
| C06 | C01 | H1 | 120.0° | 119.5° |
| C01 | C06 | H4 | 120.0° | 120.2° |
| C03 | C04 | C05 | 120.0° | 119.3° |
| C03 | C04 | C07 | 120.0° | 121.3° |
| C04 | C03 | H3 | 120.0° | 120.2° |
| C06 | C05 | C04 | 120.0° | 119.4° |
| C06 | C05 | C10 | 120.0° | 121.3° |
| C05 | C06 | H4 | 120.0° | 120.2° |
| C05 | C04 | C07 | 120.0° | 119.4° |
| C04 | C05 | C10 | 120.0° | 119.3° |
| C04 | C07 | C08 | 120.0° | 119.8° |
| C04 | C07 | H5 | 120.0° | 120.1° |
| C05 | C10 | O11 | 119.8° | 120.3° |
| C05 | C10 | C09 | 120.0° | 119.5° |
| C07 | C08 | C09 | 120.1° | 121.1° |
| C08 | C07 | H5 | 120.0° | 120.1° |
| C07 | C08 | H6 | 120.0° | 119.5° |
| O11 | C10 | C09 | 120.3° | 120.2° |
| C10 | O11 | C12 | 119.9° | 117.0° |
| C10 | C09 | C08 | 120.0° | 120.9° |
| C10 | C09 | H7 | 120.0° | 119.5° |
| C09 | C08 | H6 | 120.0° | 119.5° |
| C08 | C09 | H7 | 120.0° | 119.5° |
| O11 | C12 | C13 | 117.5° | 109.4° |
| O11 | C12 | H8 | 107.4° | 109.5° |
| O11 | C12 | H9 | 107.4° | 109.5° |
| O16 | C14 | C13 | 117.6° | 109.4° |
| O16 | C14 | H11 | 107.4° | 109.5° |
| O16 | C14 | H12 | 107.4° | 109.5° |
| C14 | O16 | H14 | 109.5° | 114.0° |
| C14 | C13 | C12 | 109.8° | 109.4° |
| C14 | C13 | O15 | 109.2° | 109.5° |
| C14 | C13 | H10 | 108.9° | 109.5° |
| C13 | C14 | H11 | 107.4° | 109.5° |
| C13 | C14 | H12 | 107.4° | 109.4° |
| C12 | C13 | O15 | 109.3° | 109.5° |
| C13 | C12 | H8 | 107.4° | 109.4° |
| C13 | C12 | H9 | 107.4° | 109.5° |
| C12 | C13 | H10 | 108.9° | 109.5° |
| O15 | C13 | H10 | 110.6° | 109.5° |
| C13 | O15 | H13 | 109.5° | 114.0° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C01 | C02 | C03 | C04 | 0.0° | 0.1° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C01 | C02 | C03 | H3 | 180.0° | 180.0° |
| C02 | C01 | C06 | H4 | 180.0° | 179.7° |
| C03 | C02 | C01 | C06 | 0.0° | 0.0° |
| C02 | C03 | C04 | H3 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.1° |
| C02 | C03 | C04 | C07 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 179.8° |
| C01 | C06 | C05 | H4 | 180.0° | 179.7° |
| C01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C01 | C06 | C05 | C10 | 180.0° | 180.0° |
| C06 | C01 | C02 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C03 | C04 | C05 | C07 | 180.0° | 179.9° |
| C03 | C04 | C05 | C10 | 180.0° | 179.9° |
| C03 | C04 | C07 | C08 | 180.0° | 179.9° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C03 | C04 | C07 | H5 | 0.0° | 0.1° |
| C06 | C05 | C04 | C10 | 180.0° | 179.9° |
| C06 | C05 | C04 | C07 | 180.0° | 179.9° |
| C06 | C05 | C10 | O11 | 0.1° | 0.1° |
| C06 | C05 | C10 | C09 | 180.0° | 179.9° |
| C05 | C06 | C01 | H1 | 180.0° | 179.7° |
| C05 | C04 | C07 | C08 | 0.0° | 0.0° |
| C04 | C05 | C10 | O11 | 180.0° | 179.9° |
| C04 | C05 | C10 | C09 | 0.0° | 0.1° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C04 | C05 | C06 | H4 | 180.0° | 179.7° |
| C05 | C04 | C07 | H5 | 179.9° | 180.0° |
| C07 | C04 | C05 | C10 | 0.0° | 0.0° |
| C04 | C07 | C08 | H5 | 180.0° | 180.0° |
| C04 | C07 | C08 | C09 | 0.1° | 0.1° |
| C07 | C04 | C03 | H3 | 0.1° | 0.1° |
| C04 | C07 | C08 | H6 | 180.0° | 180.0° |
| C05 | C10 | O11 | C09 | 179.9° | 180.0° |
| C05 | C10 | C09 | C08 | 0.0° | 0.1° |
| C05 | C10 | O11 | C12 | 151.9° | 180.0° |
| C10 | C05 | C06 | H4 | 0.0° | 0.3° |
| C05 | C10 | C09 | H7 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.0° | 0.1° |
| C07 | C08 | C09 | H6 | 180.0° | 179.9° |
| C07 | C08 | C09 | H7 | 180.0° | 179.9° |
| O11 | C10 | C09 | C08 | 180.0° | 179.9° |
| C10 | O11 | C12 | C13 | 163.0° | 180.0° |
| O11 | C10 | C09 | H7 | 0.0° | 0.0° |
| C10 | O11 | C12 | H8 | 75.8° | 60.0° |
| C10 | O11 | C12 | H9 | 41.9° | 60.1° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C09 | C10 | O11 | C12 | 28.1° | 0.0° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C09 | C08 | C07 | H5 | 179.9° | 179.9° |
| O11 | C12 | C13 | C14 | 93.8° | 175.0° |
| O11 | C12 | C13 | H8 | 121.1° | 120.0° |
| O11 | C12 | C13 | H9 | 121.2° | 120.0° |
| O11 | C12 | C13 | O15 | 26.0° | 65.0° |
| O11 | C12 | H8 | H9 | 116.4° | 120.0° |
| O11 | C12 | C13 | H10 | 147.0° | 55.0° |
| O16 | C14 | C13 | H11 | 121.2° | 120.0° |
| O16 | C14 | C13 | H12 | 121.2° | 119.9° |
| O16 | C14 | C13 | C12 | 130.7° | 175.0° |
| O16 | C14 | C13 | O15 | 109.5° | 65.0° |
| O16 | C14 | C13 | H10 | 11.4° | 55.0° |
| O16 | C14 | H11 | H12 | 116.3° | 120.0° |
| C14 | C13 | C12 | O15 | 119.8° | 120.0° |
| C14 | C13 | C12 | H10 | 119.2° | 120.0° |
| C14 | C13 | O15 | H10 | 119.9° | 120.0° |
| C14 | C13 | C12 | H8 | 145.1° | 55.0° |
| C14 | C13 | C12 | H9 | 27.4° | 65.0° |
| C13 | C14 | H11 | H12 | 116.4° | 120.0° |
| C14 | C13 | O15 | H13 | 180.0° | 60.0° |
| C13 | C14 | O16 | H14 | 180.0° | 180.0° |
| C12 | C13 | O15 | H10 | 119.9° | 120.0° |
| C13 | C12 | H8 | H9 | 116.4° | 120.0° |
| C12 | C13 | C14 | H11 | 108.2° | 55.0° |
| C12 | C13 | C14 | H12 | 9.5° | 65.0° |
| C12 | C13 | O15 | H13 | 59.8° | 60.0° |
| O15 | C13 | C12 | H8 | 95.1° | 175.0° |
| O15 | C13 | C12 | H9 | 147.2° | 55.0° |
| O15 | C13 | C14 | H11 | 11.7° | 175.0° |
| O15 | C13 | C14 | H12 | 129.4° | 54.9° |
| H1 | C01 | C02 | H2 | 0.0° | 0.3° |
| H1 | C01 | C06 | H4 | 0.0° | 0.0° |
| H2 | C02 | C03 | H3 | 0.0° | 0.0° |
| H5 | C07 | C08 | H6 | 0.0° | 0.0° |
| H6 | C08 | C09 | H7 | 0.0° | 0.0° |
| H8 | C12 | C13 | H10 | 25.9° | 65.0° |
| H9 | C12 | C13 | H10 | 91.8° | 175.0° |
| H10 | C13 | C14 | H11 | 132.6° | 65.0° |
| H10 | C13 | C14 | H12 | 109.7° | 174.9° |
| H10 | C13 | O15 | H13 | 60.2° | 180.0° |
| H11 | C14 | O16 | H14 | 58.8° | 60.0° |
| H12 | C14 | O16 | H14 | 58.8° | 60.1° |
