298
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.39Å | |
| C2 | C3 | doub | 1.33Å | 1.39Å | |
| C3 | C4 | sing | 1.47Å | 1.39Å | |
| C4 | N5 | doub | 1.30Å | 1.33Å | |
| N5 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | N10 | sing | 1.47Å | 1.47Å | |
| N10 | C11 | doub | 1.30Å | 1.33Å | |
| C11 | C12 | sing | 1.47Å | 1.39Å | |
| C12 | C13 | doub | 1.33Å | 1.39Å | |
| C13 | C14 | sing | 1.51Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2 | 120.1° | 120.1° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C3 | C4 | N5 | 121.2° | 120.0° |
| C4 | C3 | H3 | 119.6° | 120.0° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C4 | N5 | C6 | 110.1° | 120.0° |
| N5 | C4 | H4 | 119.4° | 120.0° |
| N5 | C6 | C7 | 109.8° | 109.4° |
| N5 | C6 | H6 | 109.4° | 109.4° |
| N5 | C6 | H6A | 109.3° | 109.5° |
| C6 | C7 | C8 | 111.3° | 109.4° |
| C7 | C6 | H6 | 109.4° | 109.5° |
| C7 | C6 | H6A | 109.3° | 109.5° |
| C6 | C7 | H7 | 108.9° | 109.4° |
| C6 | C7 | H7A | 108.5° | 109.5° |
| C7 | C8 | C9 | 111.1° | 109.4° |
| C8 | C7 | H7 | 108.9° | 109.5° |
| C8 | C7 | H7A | 108.4° | 109.5° |
| C7 | C8 | H8 | 108.9° | 109.5° |
| C7 | C8 | H8A | 108.5° | 109.5° |
| C8 | C9 | N10 | 110.3° | 109.5° |
| C9 | C8 | H8 | 108.9° | 109.4° |
| C9 | C8 | H8A | 108.6° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.5° |
| C8 | C9 | H9A | 109.0° | 109.5° |
| C9 | N10 | C11 | 109.7° | 120.0° |
| N10 | C9 | H9 | 109.2° | 109.4° |
| N10 | C9 | H9A | 109.0° | 109.5° |
| N10 | C11 | C12 | 121.8° | 120.0° |
| N10 | C11 | H11 | 119.1° | 120.0° |
| C11 | C12 | C13 | 122.9° | 120.0° |
| C12 | C11 | H11 | 119.1° | 120.0° |
| C11 | C12 | H12 | 118.5° | 120.0° |
| C12 | C13 | C14 | 121.4° | 120.0° |
| C13 | C12 | H12 | 118.6° | 120.0° |
| C12 | C13 | H13 | 119.3° | 120.0° |
| C14 | C13 | H13 | 119.3° | 120.0° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.7° | 109.5° |
| H7 | C7 | H7A | 110.9° | 109.5° |
| H8 | C8 | H8A | 110.7° | 109.5° |
| H9 | C9 | H9A | 110.1° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N5 | 0.1° | 174.9° |
| C3 | C2 | C1 | H1 | 31.6° | 180.0° |
| C3 | C2 | C1 | H1A | 88.4° | 60.0° |
| C3 | C2 | C1 | H1B | 151.7° | 60.0° |
| C2 | C3 | C4 | H4 | 179.9° | 5.1° |
| C3 | C4 | N5 | H4 | 180.0° | 180.0° |
| C3 | C4 | N5 | C6 | 82.7° | 5.5° |
| C4 | C3 | C2 | H2 | 0.1° | 0.0° |
| C4 | N5 | C6 | C7 | 173.9° | 116.1° |
| N5 | C4 | C3 | H3 | 179.9° | 5.1° |
| C4 | N5 | C6 | H6 | 53.9° | 123.9° |
| C4 | N5 | C6 | H6A | 66.3° | 3.9° |
| N5 | C6 | C7 | H6 | 120.0° | 119.9° |
| N5 | C6 | C7 | H6A | 119.9° | 120.0° |
| N5 | C6 | C7 | C8 | 58.7° | 180.0° |
| C6 | N5 | C4 | H4 | 97.3° | 174.5° |
| N5 | C6 | H6 | H6A | 119.9° | 120.0° |
| N5 | C6 | C7 | H7 | 178.7° | 60.0° |
| N5 | C6 | C7 | H7A | 60.5° | 60.0° |
| C6 | C7 | C8 | H7 | 120.0° | 119.9° |
| C6 | C7 | C8 | H7A | 119.2° | 120.0° |
| C6 | C7 | C8 | C9 | 175.9° | 180.0° |
| C7 | C6 | H6 | H6A | 119.8° | 120.1° |
| C6 | C7 | H7 | H7A | 119.3° | 120.0° |
| C6 | C7 | C8 | H8 | 64.1° | 60.0° |
| C6 | C7 | C8 | H8A | 56.5° | 60.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 119.3° | 120.0° |
| C7 | C8 | C9 | N10 | 179.9° | 180.0° |
| C8 | C7 | C6 | H6 | 61.3° | 60.1° |
| C8 | C7 | C6 | H6A | 178.6° | 60.0° |
| C8 | C7 | H7 | H7A | 119.2° | 120.0° |
| C7 | C8 | H8 | H8A | 119.3° | 120.0° |
| C7 | C8 | C9 | H9 | 60.1° | 60.0° |
| C7 | C8 | C9 | H9A | 60.2° | 60.0° |
| C8 | C9 | N10 | H9 | 120.0° | 120.0° |
| C8 | C9 | N10 | H9A | 119.6° | 120.0° |
| C8 | C9 | N10 | C11 | 88.7° | 115.0° |
| C9 | C8 | C7 | H7 | 55.9° | 60.1° |
| C9 | C8 | C7 | H7A | 64.9° | 60.0° |
| C9 | C8 | H8 | H8A | 119.3° | 120.0° |
| C8 | C9 | H9 | H9A | 119.7° | 120.0° |
| C9 | N10 | C11 | C12 | 177.6° | 180.0° |
| N10 | C9 | C8 | H8 | 59.9° | 60.0° |
| N10 | C9 | C8 | H8A | 60.8° | 60.0° |
| N10 | C9 | H9 | H9A | 119.6° | 120.0° |
| C9 | N10 | C11 | H11 | 2.4° | 0.0° |
| N10 | C11 | C12 | H11 | 180.0° | 180.0° |
| N10 | C11 | C12 | C13 | 0.1° | 180.0° |
| C11 | N10 | C9 | H9 | 151.3° | 5.0° |
| C11 | N10 | C9 | H9A | 31.0° | 125.0° |
| N10 | C11 | C12 | H12 | 179.9° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 179.9° | 0.0° |
| C12 | C13 | C14 | H14 | 105.9° | 60.0° |
| C12 | C13 | C14 | H14A | 14.1° | 60.0° |
| C12 | C13 | C14 | H14B | 134.1° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 148.4° | 0.0° |
| H1A | C1 | C2 | H2 | 91.6° | 120.0° |
| H1B | C1 | C2 | H2 | 28.3° | 120.0° |
| H2 | C2 | C3 | H3 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 174.9° |
| H6 | C6 | C7 | H7 | 58.7° | 180.0° |
| H6 | C6 | C7 | H7A | 179.5° | 59.9° |
| H6A | C6 | C7 | H7 | 61.4° | 60.0° |
| H6A | C6 | C7 | H7A | 59.4° | 180.0° |
| H7 | C7 | C8 | H8 | 175.9° | 180.0° |
| H7 | C7 | C8 | H8A | 63.4° | 59.9° |
| H7A | C7 | C8 | H8 | 55.1° | 60.0° |
| H7A | C7 | C8 | H8A | 175.8° | 180.0° |
| H8 | C8 | C9 | H9 | 179.8° | 180.0° |
| H8 | C8 | C9 | H9A | 59.8° | 60.0° |
| H8A | C8 | C9 | H9 | 59.2° | 60.0° |
| H8A | C8 | C9 | H9A | 179.5° | 180.0° |
| H11 | C11 | C12 | H12 | 0.1° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| H13 | C13 | C14 | H14 | 74.1° | 120.0° |
| H13 | C13 | C14 | H14A | 165.9° | 120.0° |
| H13 | C13 | C14 | H14B | 45.9° | 0.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
