B5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.49Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | N14 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | N11 | doub | 1.32Å | 1.35Å | Aromatic |
| N11 | C12 | sing | 1.33Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C12 | N18 | sing | 1.38Å | 1.39Å | |
| C13 | N14 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.52Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| C15 | N17 | sing | 1.35Å | 1.33Å | |
| N18 | C19 | sing | 1.40Å | 1.41Å | |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | O25 | sing | 1.36Å | 1.38Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | N29 | sing | 1.47Å | 1.49Å | |
| N29 | C30 | sing | 1.47Å | 1.47Å | |
| N29 | C34 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | N32 | sing | 1.47Å | 1.46Å | |
| N32 | C33 | sing | 1.47Å | 1.46Å | |
| N32 | C35 | sing | 1.47Å | 1.46Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N17 | H172 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 118.9° | 119.9° |
| C1 | C2 | C7 | 122.8° | 119.9° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.4° |
| C3 | C2 | C7 | 118.3° | 120.2° |
| C2 | C3 | C4 | 121.6° | 120.1° |
| C2 | C3 | H3 | 119.2° | 119.9° |
| C2 | C7 | C6 | 118.6° | 120.1° |
| C2 | C7 | C8 | 123.4° | 119.9° |
| C3 | C4 | C5 | 121.1° | 119.9° |
| C4 | C3 | H3 | 119.2° | 120.0° |
| C3 | C4 | H4 | 119.5° | 120.0° |
| C4 | C5 | C6 | 117.9° | 119.8° |
| C4 | C5 | C9 | 121.1° | 120.1° |
| C5 | C4 | H4 | 119.4° | 120.1° |
| C6 | C5 | C9 | 120.9° | 120.2° |
| C5 | C6 | C7 | 122.4° | 119.9° |
| C5 | C6 | H6 | 118.8° | 120.0° |
| C5 | C9 | C10 | 123.6° | 119.9° |
| C5 | C9 | N14 | 116.1° | 119.9° |
| C6 | C7 | C8 | 117.9° | 120.0° |
| C7 | C6 | H6 | 118.8° | 120.1° |
| C7 | C8 | H81C | 109.5° | 109.5° |
| C7 | C8 | H82C | 109.5° | 109.5° |
| C7 | C8 | H83C | 109.4° | 109.5° |
| C10 | C9 | N14 | 120.3° | 120.1° |
| C9 | C10 | N11 | 122.5° | 120.2° |
| C9 | C10 | H10 | 118.7° | 119.9° |
| C9 | N14 | C13 | 119.0° | 119.9° |
| C10 | N11 | C12 | 116.7° | 120.1° |
| N11 | C10 | H10 | 118.8° | 119.9° |
| N11 | C12 | C13 | 122.0° | 119.9° |
| N11 | C12 | N18 | 119.3° | 120.1° |
| C13 | C12 | N18 | 118.6° | 120.1° |
| C12 | C13 | N14 | 119.3° | 119.8° |
| C12 | C13 | C15 | 124.1° | 120.1° |
| C12 | N18 | C19 | 131.6° | 120.0° |
| C12 | N18 | H18 | 114.2° | 120.1° |
| N14 | C13 | C15 | 116.1° | 120.1° |
| C13 | C15 | O16 | 121.4° | 120.0° |
| C13 | C15 | N17 | 116.0° | 120.0° |
| O16 | C15 | N17 | 122.4° | 120.0° |
| C15 | N17 | H171 | 120.0° | 120.1° |
| C15 | N17 | H172 | 120.0° | 120.0° |
| N18 | C19 | C20 | 121.9° | 120.0° |
| N18 | C19 | C24 | 118.5° | 120.0° |
| C19 | N18 | H18 | 114.2° | 119.9° |
| C20 | C19 | C24 | 119.4° | 120.0° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C19 | C24 | C23 | 120.3° | 120.0° |
| C19 | C24 | H24 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.5° | 120.0° |
| C21 | C20 | H20 | 119.7° | 120.0° |
| C20 | C21 | H21 | 120.3° | 120.0° |
| C21 | C22 | C23 | 120.1° | 120.1° |
| C21 | C22 | O25 | 122.4° | 119.9° |
| C22 | C21 | H21 | 120.2° | 120.0° |
| C23 | C22 | O25 | 117.3° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.0° |
| C22 | O25 | C26 | 121.3° | 117.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C24 | C23 | H23 | 120.0° | 120.0° |
| O25 | C26 | C27 | 109.3° | 109.5° |
| O25 | C26 | H261 | 109.5° | 109.5° |
| O25 | C26 | H262 | 109.5° | 109.5° |
| C26 | C27 | C28 | 117.7° | 109.5° |
| C27 | C26 | H261 | 109.5° | 109.5° |
| C27 | C26 | H262 | 109.5° | 109.5° |
| C26 | C27 | H271 | 107.4° | 109.5° |
| C26 | C27 | H272 | 107.4° | 109.5° |
| C27 | C28 | N29 | 115.3° | 109.5° |
| C28 | C27 | H271 | 107.4° | 109.5° |
| C28 | C27 | H272 | 107.4° | 109.5° |
| C27 | C28 | H281 | 108.0° | 109.5° |
| C27 | C28 | H282 | 108.0° | 109.5° |
| C28 | N29 | C30 | 111.6° | 111.0° |
| C28 | N29 | C34 | 111.0° | 111.0° |
| N29 | C28 | H281 | 108.0° | 109.5° |
| N29 | C28 | H282 | 108.0° | 109.5° |
| C30 | N29 | C34 | 108.9° | 110.9° |
| N29 | C30 | C31 | 110.5° | 109.4° |
| N29 | C30 | H301 | 109.2° | 109.5° |
| N29 | C30 | H302 | 109.2° | 109.5° |
| N29 | C34 | C33 | 110.7° | 109.4° |
| N29 | C34 | H341 | 109.2° | 109.5° |
| N29 | C34 | H342 | 109.2° | 109.5° |
| C30 | C31 | N32 | 111.2° | 109.4° |
| C31 | C30 | H301 | 109.2° | 109.5° |
| C31 | C30 | H302 | 109.2° | 109.5° |
| C30 | C31 | H311 | 109.0° | 109.5° |
| C30 | C31 | H312 | 109.1° | 109.5° |
| C31 | N32 | C33 | 109.8° | 110.9° |
| C31 | N32 | C35 | 110.5° | 111.0° |
| N32 | C31 | H311 | 109.0° | 109.5° |
| N32 | C31 | H312 | 109.1° | 109.5° |
| C33 | N32 | C35 | 110.5° | 111.0° |
| N32 | C33 | C34 | 111.6° | 109.4° |
| N32 | C33 | H331 | 109.0° | 109.5° |
| N32 | C33 | H332 | 108.9° | 109.5° |
| N32 | C35 | H351 | 109.5° | 109.5° |
| N32 | C35 | H352 | 109.5° | 109.5° |
| N32 | C35 | H353 | 109.5° | 109.5° |
| C33 | C34 | H341 | 109.2° | 109.5° |
| C33 | C34 | H342 | 109.2° | 109.5° |
| C34 | C33 | H331 | 108.9° | 109.5° |
| C34 | C33 | H332 | 109.0° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H81C | C8 | H83C | 109.5° | 109.4° |
| H82C | C8 | H83C | 109.5° | 109.5° |
| H171 | N17 | H172 | 120.0° | 119.9° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 178.0° | 179.7° |
| C1 | C2 | C3 | C4 | 179.1° | 180.0° |
| C1 | C2 | C7 | C6 | 179.1° | 179.7° |
| C1 | C2 | C7 | C8 | 0.8° | 0.0° |
| C2 | C1 | H11C | H12C | 120.0° | 120.1° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 119.9° |
| C1 | C2 | C3 | H3 | 0.8° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.2° | 0.0° |
| C3 | C2 | C7 | C6 | 2.9° | 0.6° |
| C3 | C2 | C7 | C8 | 178.8° | 179.7° |
| C3 | C2 | C1 | H11C | 89.0° | 90.0° |
| C3 | C2 | C1 | H12C | 150.9° | 149.9° |
| C3 | C2 | C1 | H13C | 31.0° | 30.0° |
| C2 | C3 | C4 | H4 | 178.8° | 179.9° |
| C7 | C2 | C3 | C4 | 1.1° | 0.3° |
| C2 | C7 | C6 | C5 | 2.6° | 0.6° |
| C2 | C7 | C6 | C8 | 178.4° | 179.7° |
| C7 | C2 | C1 | H11C | 88.9° | 90.3° |
| C7 | C2 | C1 | H12C | 31.1° | 29.8° |
| C7 | C2 | C1 | H13C | 151.1° | 149.7° |
| C7 | C2 | C3 | H3 | 178.9° | 179.8° |
| C2 | C7 | C6 | H6 | 177.4° | 179.7° |
| C2 | C7 | C8 | H81C | 90.9° | 90.0° |
| C2 | C7 | C8 | H82C | 149.1° | 150.0° |
| C2 | C7 | C8 | H83C | 29.1° | 30.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.6° | 0.0° |
| C3 | C4 | C5 | C9 | 179.8° | 180.0° |
| C4 | C5 | C6 | C9 | 178.2° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.2° |
| C4 | C5 | C9 | C10 | 164.7° | 5.0° |
| C4 | C5 | C9 | N14 | 12.3° | 175.3° |
| C5 | C4 | C3 | H3 | 178.8° | 179.9° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 179.0° | 179.8° |
| C6 | C5 | C9 | C10 | 13.5° | 175.0° |
| C6 | C5 | C9 | N14 | 169.5° | 4.7° |
| C6 | C5 | C4 | H4 | 178.4° | 179.9° |
| C9 | C5 | C6 | C7 | 177.9° | 179.7° |
| C5 | C9 | C10 | N14 | 176.9° | 179.7° |
| C5 | C9 | C10 | N11 | 178.6° | 180.0° |
| C5 | C9 | N14 | C13 | 178.5° | 179.7° |
| C9 | C5 | C4 | H4 | 0.2° | 0.1° |
| C9 | C5 | C6 | H6 | 2.1° | 0.0° |
| C5 | C9 | C10 | H10 | 1.3° | 0.0° |
| C6 | C7 | C8 | H81C | 90.8° | 89.7° |
| C6 | C7 | C8 | H82C | 29.3° | 30.3° |
| C6 | C7 | C8 | H83C | 149.2° | 150.3° |
| C8 | C7 | C6 | H6 | 1.0° | 0.0° |
| C7 | C8 | H81C | H82C | 120.0° | 120.0° |
| C7 | C8 | H81C | H83C | 120.0° | 120.0° |
| C7 | C8 | H82C | H83C | 120.0° | 120.0° |
| C9 | C10 | N11 | H10 | 180.0° | 180.0° |
| C9 | C10 | N11 | C12 | 0.7° | 0.0° |
| C10 | C9 | N14 | C13 | 4.3° | 0.6° |
| N14 | C9 | C10 | N11 | 1.8° | 0.3° |
| C9 | N14 | C13 | C12 | 5.8° | 0.6° |
| C9 | N14 | C13 | C15 | 178.1° | 179.7° |
| N14 | C9 | C10 | H10 | 178.2° | 179.7° |
| C10 | N11 | C12 | C13 | 2.2° | 0.0° |
| C10 | N11 | C12 | N18 | 177.9° | 180.0° |
| N11 | C12 | C13 | N18 | 179.9° | 180.0° |
| N11 | C12 | C13 | N14 | 4.9° | 0.3° |
| N11 | C12 | C13 | C15 | 176.6° | 180.0° |
| N11 | C12 | N18 | C19 | 7.9° | 10.9° |
| C12 | N11 | C10 | H10 | 179.3° | 180.0° |
| N11 | C12 | N18 | H18 | 172.1° | 169.1° |
| C12 | C13 | N14 | C15 | 172.3° | 179.7° |
| C12 | C13 | C15 | O16 | 6.0° | 7.4° |
| C12 | C13 | C15 | N17 | 177.9° | 172.7° |
| C13 | C12 | N18 | C19 | 172.2° | 169.1° |
| C13 | C12 | N18 | H18 | 7.8° | 10.9° |
| N18 | C12 | C13 | N14 | 175.2° | 179.7° |
| N18 | C12 | C13 | C15 | 3.5° | 0.1° |
| C12 | N18 | C19 | H18 | 180.0° | 180.0° |
| C12 | N18 | C19 | C20 | 35.1° | 155.5° |
| C12 | N18 | C19 | C24 | 149.5° | 24.2° |
| N14 | C13 | C15 | O16 | 165.9° | 172.3° |
| N14 | C13 | C15 | N17 | 10.2° | 7.6° |
| C13 | C15 | O16 | N17 | 175.9° | 180.0° |
| C13 | C15 | N17 | H171 | 176.1° | 0.1° |
| C13 | C15 | N17 | H172 | 3.9° | 180.0° |
| O16 | C15 | N17 | H171 | 0.0° | 180.0° |
| O16 | C15 | N17 | H172 | 180.0° | 0.1° |
| C15 | N17 | H171 | H172 | 180.0° | 179.9° |
| N18 | C19 | C20 | C24 | 175.3° | 179.8° |
| N18 | C19 | C20 | C21 | 175.1° | 180.0° |
| N18 | C19 | C24 | C23 | 176.0° | 179.7° |
| N18 | C19 | C20 | H20 | 4.9° | 0.0° |
| N18 | C19 | C24 | H24 | 4.0° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C20 | C19 | C24 | C23 | 0.5° | 0.5° |
| C20 | C19 | N18 | H18 | 144.9° | 24.5° |
| C20 | C19 | C24 | H24 | 179.5° | 179.7° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| C24 | C19 | C20 | C21 | 0.2° | 0.2° |
| C19 | C24 | C23 | C22 | 1.0° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.8° |
| C24 | C19 | N18 | H18 | 30.5° | 155.8° |
| C24 | C19 | C20 | H20 | 179.8° | 179.8° |
| C19 | C24 | C23 | H23 | 179.0° | 179.8° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | O25 | 175.0° | 180.0° |
| C21 | C22 | C23 | O25 | 175.2° | 180.0° |
| C21 | C22 | C23 | C24 | 0.8° | 0.3° |
| C21 | C22 | O25 | C26 | 8.2° | 180.0° |
| C22 | C21 | C20 | H20 | 179.6° | 180.0° |
| C21 | C22 | C23 | H23 | 179.2° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C23 | C22 | O25 | C26 | 176.7° | 0.0° |
| C22 | C23 | C24 | H24 | 179.0° | 179.7° |
| C23 | C22 | C21 | H21 | 179.8° | 179.9° |
| O25 | C22 | C23 | C24 | 176.0° | 179.7° |
| C22 | O25 | C26 | C27 | 169.1° | 180.0° |
| O25 | C22 | C21 | H21 | 4.9° | 0.1° |
| O25 | C22 | C23 | H23 | 4.0° | 0.0° |
| C22 | O25 | C26 | H261 | 49.1° | 60.0° |
| C22 | O25 | C26 | H262 | 71.0° | 60.0° |
| O25 | C26 | C27 | H261 | 119.9° | 120.0° |
| O25 | C26 | C27 | H262 | 119.9° | 120.0° |
| O25 | C26 | C27 | C28 | 77.2° | 180.0° |
| O25 | C26 | H261 | H262 | 120.1° | 120.0° |
| O25 | C26 | C27 | H271 | 44.0° | 60.0° |
| O25 | C26 | C27 | H272 | 161.7° | 60.0° |
| C26 | C27 | C28 | H271 | 121.2° | 120.0° |
| C26 | C27 | C28 | H272 | 121.2° | 120.0° |
| C26 | C27 | C28 | N29 | 49.6° | 180.0° |
| C27 | C26 | H261 | H262 | 120.1° | 120.0° |
| C26 | C27 | H271 | H272 | 116.2° | 120.0° |
| C26 | C27 | C28 | H281 | 71.2° | 60.0° |
| C26 | C27 | C28 | H282 | 170.5° | 60.0° |
| C27 | C28 | N29 | H281 | 120.9° | 120.0° |
| C27 | C28 | N29 | H282 | 120.9° | 120.0° |
| C27 | C28 | N29 | C30 | 97.7° | 170.0° |
| C27 | C28 | N29 | C34 | 140.7° | 66.2° |
| C28 | C27 | C26 | H261 | 162.9° | 60.0° |
| C28 | C27 | C26 | H262 | 42.8° | 60.0° |
| C28 | C27 | H271 | H272 | 116.3° | 120.0° |
| C27 | C28 | H281 | H282 | 117.3° | 120.0° |
| C28 | N29 | C30 | C34 | 122.8° | 123.9° |
| C28 | N29 | C30 | C31 | 178.6° | 176.8° |
| C28 | N29 | C34 | C33 | 178.7° | 176.8° |
| N29 | C28 | C27 | H271 | 170.8° | 60.0° |
| N29 | C28 | C27 | H272 | 71.6° | 60.0° |
| N29 | C28 | H281 | H282 | 117.3° | 120.0° |
| C28 | N29 | C30 | H301 | 61.3° | 63.2° |
| C28 | N29 | C30 | H302 | 58.4° | 56.8° |
| C28 | N29 | C34 | H341 | 58.5° | 56.8° |
| C28 | N29 | C34 | H342 | 61.1° | 63.2° |
| N29 | C30 | C31 | H301 | 120.1° | 120.0° |
| N29 | C30 | C31 | H302 | 120.2° | 120.0° |
| N29 | C30 | C31 | N32 | 58.6° | 58.4° |
| C30 | N29 | C34 | C33 | 58.1° | 59.3° |
| C30 | N29 | C28 | H281 | 141.4° | 70.0° |
| C30 | N29 | C28 | H282 | 23.2° | 50.0° |
| N29 | C30 | H301 | H302 | 119.5° | 120.0° |
| C30 | N29 | C34 | H341 | 178.3° | 179.3° |
| C30 | N29 | C34 | H342 | 62.1° | 60.7° |
| N29 | C30 | C31 | H311 | 178.9° | 178.3° |
| N29 | C30 | C31 | H312 | 61.7° | 61.6° |
| C34 | N29 | C30 | C31 | 58.6° | 59.3° |
| N29 | C34 | C33 | N32 | 57.8° | 58.4° |
| N29 | C34 | C33 | H341 | 120.2° | 119.9° |
| N29 | C34 | C33 | H342 | 120.2° | 120.0° |
| C34 | N29 | C28 | H281 | 19.8° | 53.8° |
| C34 | N29 | C28 | H282 | 98.5° | 173.8° |
| C34 | N29 | C30 | H301 | 61.6° | 60.6° |
| C34 | N29 | C30 | H302 | 178.7° | 179.3° |
| N29 | C34 | H341 | H342 | 119.5° | 120.0° |
| N29 | C34 | C33 | H331 | 178.1° | 178.4° |
| N29 | C34 | C33 | H332 | 62.5° | 61.6° |
| C30 | C31 | N32 | H311 | 120.2° | 119.9° |
| C30 | C31 | N32 | H312 | 120.3° | 120.0° |
| C30 | C31 | N32 | C33 | 56.3° | 59.3° |
| C30 | C31 | N32 | C35 | 178.5° | 176.8° |
| C31 | C30 | H301 | H302 | 119.5° | 120.1° |
| C30 | C31 | H311 | H312 | 119.2° | 120.1° |
| C31 | N32 | C33 | C35 | 122.2° | 123.9° |
| C31 | N32 | C33 | C34 | 56.0° | 59.3° |
| N32 | C31 | C30 | H301 | 61.5° | 61.6° |
| N32 | C31 | C30 | H302 | 178.8° | 178.4° |
| N32 | C31 | H311 | H312 | 119.2° | 120.1° |
| C31 | N32 | C33 | H331 | 176.3° | 179.3° |
| C31 | N32 | C33 | H332 | 64.3° | 60.7° |
| C31 | N32 | C35 | H351 | 180.0° | 60.0° |
| C31 | N32 | C35 | H352 | 60.0° | 180.0° |
| C31 | N32 | C35 | H353 | 60.0° | 60.0° |
| N32 | C33 | C34 | H331 | 120.3° | 120.0° |
| N32 | C33 | C34 | H332 | 120.3° | 120.0° |
| N32 | C33 | C34 | H341 | 178.0° | 178.4° |
| N32 | C33 | C34 | H342 | 62.4° | 61.6° |
| C33 | N32 | C31 | H311 | 176.6° | 179.3° |
| C33 | N32 | C31 | H312 | 63.9° | 60.7° |
| N32 | C33 | H331 | H332 | 119.0° | 120.0° |
| C33 | N32 | C35 | H351 | 58.2° | 63.8° |
| C33 | N32 | C35 | H352 | 178.2° | 56.2° |
| C33 | N32 | C35 | H353 | 61.8° | 176.2° |
| C35 | N32 | C33 | C34 | 178.2° | 176.8° |
| C35 | N32 | C31 | H311 | 61.2° | 56.9° |
| C35 | N32 | C31 | H312 | 58.2° | 63.2° |
| C35 | N32 | C33 | H331 | 61.5° | 56.8° |
| C35 | N32 | C33 | H332 | 57.9° | 63.2° |
| N32 | C35 | H351 | H352 | 120.0° | 120.0° |
| N32 | C35 | H351 | H353 | 120.0° | 120.0° |
| N32 | C35 | H352 | H353 | 120.0° | 120.0° |
| C33 | C34 | H341 | H342 | 119.5° | 120.1° |
| C34 | C33 | H331 | H332 | 119.1° | 120.1° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 1.2° | 0.0° |
| H81C | C8 | H82C | H83C | 120.0° | 119.9° |
| H20 | C20 | C21 | H21 | 0.4° | 0.0° |
| H24 | C24 | C23 | H23 | 1.0° | 0.0° |
| H261 | C26 | C27 | H271 | 75.9° | 180.0° |
| H261 | C26 | C27 | H272 | 41.7° | 60.0° |
| H262 | C26 | C27 | H271 | 164.0° | 60.0° |
| H262 | C26 | C27 | H272 | 78.4° | NaN° |
| H271 | C27 | C28 | H281 | 50.0° | 180.0° |
| H271 | C27 | C28 | H282 | 68.3° | 60.0° |
| H272 | C27 | C28 | H281 | 167.6° | 60.0° |
| H272 | C27 | C28 | H282 | 49.3° | 180.0° |
| H301 | C30 | C31 | H311 | 58.7° | 58.4° |
| H301 | C30 | C31 | H312 | 178.2° | 178.5° |
| H302 | C30 | C31 | H311 | 61.0° | 61.7° |
| H302 | C30 | C31 | H312 | 58.5° | 58.4° |
| H341 | C34 | C33 | H331 | 61.7° | 61.7° |
| H341 | C34 | C33 | H332 | 57.7° | 58.4° |
| H342 | C34 | C33 | H331 | 57.9° | 58.4° |
| H342 | C34 | C33 | H332 | 177.3° | 178.5° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
