RYM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.37Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C7 | doub | 1.30Å | 1.31Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | N3 | trip | 1.14Å | 1.14Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 121.4° | 120.7° |
| C1 | C6 | C5 | 118.1° | 119.8° |
| C1 | C6 | H1 | 120.9° | 120.0° |
| C6 | C1 | H7 | 119.3° | 119.6° |
| C1 | C2 | C3 | 121.2° | 120.4° |
| C2 | C1 | H7 | 119.3° | 119.8° |
| C1 | C2 | H10 | 119.4° | 119.7° |
| C6 | C5 | N1 | 130.9° | 133.6° |
| C6 | C5 | C4 | 119.9° | 119.5° |
| C5 | C6 | H1 | 121.0° | 120.1° |
| C2 | C3 | C4 | 117.3° | 119.7° |
| C3 | C2 | H10 | 119.4° | 119.8° |
| C2 | C3 | H11 | 121.4° | 120.1° |
| N1 | C5 | C4 | 109.2° | 106.9° |
| C5 | N1 | C7 | 105.4° | 109.7° |
| C5 | C4 | C3 | 122.1° | 119.8° |
| C5 | C4 | N2 | 105.5° | 106.0° |
| N1 | C7 | N2 | 113.0° | 110.1° |
| N1 | C7 | H2 | 123.5° | 125.0° |
| C3 | C4 | N2 | 132.4° | 134.1° |
| C4 | C3 | H11 | 121.3° | 120.2° |
| C4 | N2 | C7 | 106.8° | 107.3° |
| C4 | N2 | C8 | 126.1° | 126.3° |
| C7 | N2 | C8 | 126.7° | 126.4° |
| N2 | C7 | H2 | 123.5° | 124.9° |
| N2 | C8 | C9 | 107.1° | 109.4° |
| N2 | C8 | H3 | 110.0° | 109.5° |
| N2 | C8 | H4 | 110.1° | 109.5° |
| C8 | C9 | C10 | 120.3° | 119.9° |
| C8 | C9 | C14 | 119.8° | 119.8° |
| C9 | C8 | H3 | 110.0° | 109.5° |
| C9 | C8 | H4 | 110.1° | 109.4° |
| C9 | C10 | C11 | 120.5° | 120.2° |
| C10 | C9 | C14 | 119.4° | 120.3° |
| C9 | C10 | H5 | 119.7° | 119.9° |
| C10 | C11 | C12 | 119.6° | 119.8° |
| C11 | C10 | H5 | 119.7° | 119.9° |
| C10 | C11 | H8 | 120.2° | 120.1° |
| C9 | C14 | C13 | 120.6° | 120.1° |
| C9 | C14 | H9 | 119.7° | 120.0° |
| C11 | C12 | C13 | 120.1° | 119.7° |
| C11 | C12 | C15 | 119.9° | 120.1° |
| C12 | C11 | H8 | 120.2° | 120.1° |
| C14 | C13 | C12 | 119.6° | 119.8° |
| C14 | C13 | H6 | 120.2° | 120.1° |
| C13 | C14 | H9 | 119.7° | 119.9° |
| C13 | C12 | C15 | 119.9° | 120.2° |
| C12 | C13 | H6 | 120.2° | 120.1° |
| C12 | C15 | N3 | 171.6° | 180.0° |
| H3 | C8 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H7 | 180.0° | 180.0° |
| C1 | C6 | C5 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C5 | N1 | 179.7° | 179.9° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | C1 | C2 | H10 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C1 | C2 | C3 | H10 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | H1 | 179.5° | 180.0° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| C6 | C5 | N1 | C4 | 180.0° | 180.0° |
| C6 | C5 | N1 | C7 | 179.5° | 179.9° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C6 | C5 | C4 | N2 | 178.9° | 180.0° |
| C5 | C6 | C1 | H7 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | N2 | 178.8° | 180.0° |
| C3 | C2 | C1 | H7 | 179.7° | 180.0° |
| N1 | C5 | C4 | C3 | 180.0° | 180.0° |
| N1 | C5 | C4 | N2 | 1.1° | 0.0° |
| C5 | N1 | C7 | N2 | 2.1° | 0.1° |
| N1 | C5 | C6 | H1 | 0.3° | 0.0° |
| C5 | N1 | C7 | H2 | 178.0° | 180.0° |
| C4 | C5 | N1 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | N2 | 178.6° | 180.0° |
| C5 | C4 | N2 | C7 | 2.2° | 0.1° |
| C5 | C4 | N2 | C8 | 175.9° | 179.9° |
| C4 | C5 | C6 | H1 | 179.7° | 179.9° |
| C5 | C4 | C3 | H11 | 179.8° | 180.0° |
| N1 | C7 | N2 | C4 | 2.8° | 0.1° |
| N1 | C7 | N2 | H2 | 180.0° | 179.9° |
| N1 | C7 | N2 | C8 | 176.4° | 180.0° |
| C3 | C4 | N2 | C7 | 179.0° | 180.0° |
| C3 | C4 | N2 | C8 | 5.4° | 0.1° |
| C4 | C3 | C2 | H10 | 180.0° | 180.0° |
| C4 | N2 | C7 | C8 | 173.6° | 179.9° |
| C4 | N2 | C8 | C9 | 79.1° | 85.1° |
| C4 | N2 | C7 | H2 | 177.2° | 180.0° |
| C4 | N2 | C8 | H3 | 40.5° | 34.9° |
| C4 | N2 | C8 | H4 | 161.2° | 155.0° |
| N2 | C4 | C3 | H11 | 1.2° | 0.0° |
| C7 | N2 | C8 | C9 | 93.3° | 95.1° |
| C7 | N2 | C8 | H3 | 147.1° | 144.9° |
| C7 | N2 | C8 | H4 | 26.4° | 24.9° |
| N2 | C8 | C9 | H3 | 119.6° | 120.0° |
| N2 | C8 | C9 | H4 | 119.7° | 120.0° |
| N2 | C8 | C9 | C10 | 92.4° | 90.0° |
| N2 | C8 | C9 | C14 | 79.0° | 90.0° |
| C8 | N2 | C7 | H2 | 3.6° | 0.1° |
| N2 | C8 | H3 | H4 | 121.1° | 120.0° |
| C8 | C9 | C10 | C14 | 171.5° | 180.0° |
| C8 | C9 | C10 | C11 | 176.1° | 180.0° |
| C8 | C9 | C14 | C13 | 175.5° | 180.0° |
| C9 | C8 | H3 | H4 | 121.1° | 120.0° |
| C8 | C9 | C10 | H5 | 3.9° | 0.3° |
| C8 | C9 | C14 | H9 | 4.5° | 0.0° |
| C9 | C10 | C11 | H5 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 2.3° | 0.0° |
| C10 | C9 | C14 | C13 | 4.0° | 0.0° |
| C10 | C9 | C8 | H3 | 27.2° | 150.0° |
| C10 | C9 | C8 | H4 | 147.9° | 30.0° |
| C9 | C10 | C11 | H8 | 177.7° | 180.0° |
| C10 | C9 | C14 | H9 | 176.0° | 180.0° |
| C11 | C10 | C9 | C14 | 4.6° | 0.0° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C10 | C11 | C12 | C15 | 177.6° | 180.0° |
| C9 | C14 | C13 | H9 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 1.2° | 0.1° |
| C14 | C9 | C8 | H3 | 161.4° | 30.0° |
| C14 | C9 | C8 | H4 | 40.7° | 150.0° |
| C14 | C9 | C10 | H5 | 175.4° | 179.7° |
| C9 | C14 | C13 | H6 | 178.9° | 180.0° |
| C11 | C12 | C13 | C14 | 1.1° | 0.0° |
| C11 | C12 | C13 | C15 | 177.0° | 180.0° |
| C11 | C12 | C15 | N3 | 96.1° | 146.0° |
| C12 | C11 | C10 | H5 | 177.7° | 179.7° |
| C11 | C12 | C13 | H6 | 178.8° | 180.0° |
| C14 | C13 | C12 | H6 | 180.0° | 179.9° |
| C14 | C13 | C12 | C15 | 178.1° | 180.0° |
| C13 | C12 | C15 | N3 | 80.9° | 34.0° |
| C13 | C12 | C11 | H8 | 179.4° | 180.0° |
| C12 | C13 | C14 | H9 | 178.8° | 180.0° |
| C15 | C12 | C13 | H6 | 1.8° | 0.1° |
| C15 | C12 | C11 | H8 | 2.4° | 0.0° |
| H1 | C6 | C1 | H7 | 0.5° | 0.0° |
| H5 | C10 | C11 | H8 | 2.3° | 0.3° |
| H6 | C13 | C14 | H9 | 1.1° | 0.1° |
| H7 | C1 | C2 | H10 | 0.3° | 0.0° |
| H10 | C2 | C3 | H11 | 0.0° | 0.1° |
