CDO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | C8 | sing | 1.48Å | 1.48Å | |
| N3 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N11 | sing | 1.47Å | 1.46Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | N9 | doub | 1.30Å | 1.33Å | |
| C8 | N10 | sing | 1.38Å | 1.33Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| N11 | C12 | sing | 1.35Å | 1.35Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | O14 | doub | 1.21Å | 1.21Å | |
| C13 | C15 | sing | 1.51Å | 1.56Å | |
| C13 | N18 | sing | 1.47Å | 1.49Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.30Å | 1.55Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | N18 | sing | 1.47Å | 1.47Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| N18 | C19 | sing | 1.35Å | 1.38Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | O21 | doub | 1.21Å | 1.22Å | |
| C20 | N22 | sing | 1.47Å | 1.46Å | |
| C20 | C27 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| N22 | H22 | sing | 1.01Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | O25 | sing | 1.34Å | 1.23Å | |
| C24 | O26 | doub | 1.21Å | 1.23Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C33 | sing | 1.53Å | 1.54Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.6° | 119.1° |
| C2 | C1 | H1 | 120.7° | 120.4° |
| C1 | C2 | N3 | 120.3° | 120.5° |
| C1 | C2 | C8 | 120.9° | 119.7° |
| C6 | C1 | H1 | 120.7° | 120.5° |
| C1 | C6 | C5 | 119.0° | 118.5° |
| C1 | C6 | H6 | 120.5° | 120.8° |
| N3 | C2 | C8 | 118.8° | 119.7° |
| C2 | N3 | C4 | 122.4° | 121.6° |
| C2 | C8 | N9 | 120.8° | 120.0° |
| C2 | C8 | N10 | 119.3° | 120.0° |
| N3 | C4 | C5 | 120.3° | 120.9° |
| N3 | C4 | H4 | 119.8° | 119.5° |
| C5 | C4 | H4 | 119.9° | 119.6° |
| C4 | C5 | C6 | 119.4° | 119.4° |
| C4 | C5 | C7 | 119.8° | 120.3° |
| C6 | C5 | C7 | 120.8° | 120.3° |
| C5 | C6 | H6 | 120.5° | 120.8° |
| C5 | C7 | N11 | 107.6° | 109.4° |
| C5 | C7 | H71 | 110.5° | 109.4° |
| C5 | C7 | H72 | 110.1° | 109.5° |
| N11 | C7 | H71 | 110.5° | 109.5° |
| N11 | C7 | H72 | 110.1° | 109.5° |
| C7 | N11 | C12 | 120.8° | 120.0° |
| C7 | N11 | H11 | 119.6° | 120.0° |
| H71 | C7 | H72 | 108.0° | 109.5° |
| N9 | C8 | N10 | 119.8° | 120.0° |
| C8 | N9 | HN9 | 108.9° | 120.0° |
| C8 | N10 | H101 | 125.6° | 120.0° |
| C8 | N10 | H102 | 108.9° | 120.0° |
| H101 | N10 | H102 | 125.6° | 120.0° |
| C12 | N11 | H11 | 119.6° | 120.0° |
| N11 | C12 | C13 | 119.9° | 120.0° |
| N11 | C12 | O14 | 120.8° | 120.0° |
| C13 | C12 | O14 | 119.3° | 120.0° |
| C12 | C13 | C15 | 109.4° | 109.9° |
| C12 | C13 | N18 | 109.1° | 109.9° |
| C12 | C13 | H13 | 109.0° | 110.0° |
| C15 | C13 | N18 | 106.9° | 107.2° |
| C15 | C13 | H13 | 111.1° | 109.9° |
| C13 | C15 | C16 | 103.0° | 110.2° |
| C13 | C15 | H15 | 128.5° | 124.9° |
| N18 | C13 | H13 | 111.3° | 109.9° |
| C13 | N18 | C17 | 107.9° | 105.3° |
| C13 | N18 | C19 | 125.9° | 127.4° |
| C16 | C15 | H15 | 128.5° | 125.0° |
| C15 | C16 | C17 | 102.1° | 110.1° |
| C15 | C16 | H16 | 128.9° | 125.0° |
| C17 | C16 | H16 | 129.0° | 124.9° |
| C16 | C17 | N18 | 106.8° | 107.2° |
| C16 | C17 | H171 | 110.9° | 109.9° |
| C16 | C17 | H172 | 110.4° | 109.9° |
| N18 | C17 | H171 | 111.0° | 110.0° |
| N18 | C17 | H172 | 110.4° | 109.8° |
| C17 | N18 | C19 | 126.2° | 127.3° |
| H171 | C17 | H172 | 107.4° | 110.0° |
| N18 | C19 | C20 | 121.0° | 120.0° |
| N18 | C19 | O21 | 120.4° | 120.0° |
| C20 | C19 | O21 | 118.7° | 120.0° |
| C19 | C20 | N22 | 109.0° | 109.5° |
| C19 | C20 | C27 | 111.1° | 109.4° |
| C19 | C20 | H20 | 108.2° | 109.5° |
| N22 | C20 | C27 | 108.0° | 109.5° |
| N22 | C20 | H20 | 111.3° | 109.5° |
| C20 | N22 | C23 | 121.7° | 106.7° |
| C20 | N22 | H22 | 105.5° | 106.8° |
| C27 | C20 | H20 | 109.2° | 109.5° |
| C20 | C27 | C28 | 111.1° | 109.5° |
| C20 | C27 | H271 | 108.6° | 109.5° |
| C20 | C27 | H272 | 108.9° | 109.5° |
| C23 | N22 | H22 | 105.6° | 106.7° |
| N22 | C23 | C24 | 108.2° | 109.5° |
| N22 | C23 | H231 | 110.2° | 109.5° |
| N22 | C23 | H232 | 109.9° | 109.5° |
| C24 | C23 | H231 | 110.2° | 109.5° |
| C24 | C23 | H232 | 109.9° | 109.5° |
| C23 | C24 | O25 | 119.9° | 120.0° |
| C23 | C24 | O26 | 119.9° | 120.0° |
| H231 | C23 | H232 | 108.5° | 109.5° |
| O25 | C24 | O26 | 120.2° | 120.1° |
| C24 | O25 | H25 | 109.5° | 120.0° |
| C28 | C27 | H271 | 108.6° | 109.5° |
| C28 | C27 | H272 | 108.9° | 109.4° |
| C27 | C28 | C29 | 109.9° | 109.5° |
| C27 | C28 | C33 | 110.4° | 109.4° |
| C27 | C28 | H28 | 108.5° | 109.4° |
| H271 | C27 | H272 | 110.7° | 109.5° |
| C29 | C28 | C33 | 109.2° | 109.5° |
| C29 | C28 | H28 | 109.7° | 109.5° |
| C28 | C29 | C30 | 109.2° | 109.5° |
| C28 | C29 | H291 | 109.6° | 109.4° |
| C28 | C29 | H292 | 109.6° | 109.5° |
| C33 | C28 | H28 | 109.2° | 109.5° |
| C28 | C33 | C32 | 109.0° | 109.4° |
| C28 | C33 | H331 | 109.8° | 109.5° |
| C28 | C33 | H332 | 109.6° | 109.5° |
| C30 | C29 | H291 | 109.6° | 109.5° |
| C30 | C29 | H292 | 109.5° | 109.5° |
| C29 | C30 | C31 | 110.8° | 109.5° |
| C29 | C30 | H301 | 108.8° | 109.5° |
| C29 | C30 | H302 | 109.1° | 109.4° |
| H291 | C29 | H292 | 109.3° | 109.4° |
| C31 | C30 | H301 | 108.7° | 109.5° |
| C31 | C30 | H302 | 109.0° | 109.5° |
| C30 | C31 | C32 | 111.2° | 109.5° |
| C30 | C31 | H311 | 108.5° | 109.5° |
| C30 | C31 | H312 | 108.9° | 109.5° |
| H301 | C30 | H302 | 110.5° | 109.5° |
| C32 | C31 | H311 | 108.5° | 109.5° |
| C32 | C31 | H312 | 108.9° | 109.5° |
| C31 | C32 | C33 | 110.5° | 109.5° |
| C31 | C32 | H321 | 108.9° | 109.4° |
| C31 | C32 | H322 | 109.1° | 109.5° |
| H311 | C31 | H312 | 110.8° | 109.4° |
| C33 | C32 | H321 | 108.9° | 109.5° |
| C33 | C32 | H322 | 109.2° | 109.5° |
| C32 | C33 | H331 | 109.8° | 109.5° |
| C32 | C33 | H332 | 109.6° | 109.4° |
| H321 | C32 | H322 | 110.2° | 109.4° |
| H331 | C33 | H332 | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | N3 | C8 | 179.2° | 179.8° |
| C1 | C2 | N3 | C4 | 0.9° | 0.5° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C1 | C2 | C8 | N9 | 12.8° | 0.1° |
| C1 | C2 | C8 | N10 | 167.2° | 180.0° |
| C6 | C1 | C2 | N3 | 0.7° | 0.2° |
| C6 | C1 | C2 | C8 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 179.8° | 180.0° |
| H1 | C1 | C2 | N3 | 179.3° | 179.8° |
| H1 | C1 | C2 | C8 | 0.0° | 0.0° |
| H1 | C1 | C6 | C5 | 179.4° | 180.0° |
| H1 | C1 | C6 | H6 | 0.6° | 0.1° |
| C2 | N3 | C4 | C5 | 0.9° | 0.5° |
| C2 | N3 | C4 | H4 | 179.1° | 179.7° |
| N3 | C2 | C8 | N9 | 168.0° | 179.7° |
| N3 | C2 | C8 | N10 | 12.0° | 0.2° |
| C8 | C2 | N3 | C4 | 179.9° | 179.7° |
| C2 | C8 | N9 | N10 | 180.0° | 179.9° |
| C2 | C8 | N9 | HN9 | 180.0° | 0.1° |
| C2 | C8 | N10 | H101 | 180.0° | 179.9° |
| C2 | C8 | N10 | H102 | 0.0° | 0.3° |
| N3 | C4 | C5 | H4 | 180.0° | 179.8° |
| N3 | C4 | C5 | C6 | 0.7° | 0.3° |
| N3 | C4 | C5 | C7 | 179.7° | 179.8° |
| C4 | C5 | C6 | C7 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| C4 | C5 | C7 | N11 | 84.8° | 90.0° |
| C4 | C5 | C7 | H71 | 36.0° | 29.9° |
| C4 | C5 | C7 | H72 | 155.2° | 150.0° |
| H4 | C4 | C5 | C6 | 179.3° | 180.0° |
| H4 | C4 | C5 | C7 | 0.3° | 0.0° |
| C6 | C5 | C7 | N11 | 95.7° | 90.0° |
| C6 | C5 | C7 | H71 | 143.6° | 150.0° |
| C6 | C5 | C7 | H72 | 24.3° | 30.0° |
| C7 | C5 | C6 | H6 | 0.1° | 0.1° |
| C5 | C7 | N11 | H71 | 120.8° | 119.9° |
| C5 | C7 | N11 | H72 | 120.0° | 120.0° |
| C5 | C7 | H71 | H72 | 120.5° | 120.0° |
| C5 | C7 | N11 | C12 | 110.6° | 180.0° |
| C5 | C7 | N11 | H11 | 69.5° | 0.0° |
| N11 | C7 | H71 | H72 | 120.5° | 120.1° |
| C7 | N11 | C12 | H11 | 180.0° | 180.0° |
| C7 | N11 | C12 | C13 | 179.3° | 180.0° |
| C7 | N11 | C12 | O14 | 0.1° | 0.0° |
| H71 | C7 | N11 | C12 | 128.7° | 60.1° |
| H71 | C7 | N11 | H11 | 51.3° | 120.0° |
| H72 | C7 | N11 | C12 | 9.4° | 60.0° |
| H72 | C7 | N11 | H11 | 170.6° | 120.0° |
| N9 | C8 | N10 | H101 | 0.0° | 0.0° |
| N9 | C8 | N10 | H102 | 180.0° | 179.8° |
| N10 | C8 | N9 | HN9 | 0.0° | 180.0° |
| C8 | N10 | H101 | H102 | 180.0° | 179.8° |
| N11 | C12 | C13 | O14 | 179.3° | 179.9° |
| N11 | C12 | C13 | C15 | 109.7° | 61.8° |
| N11 | C12 | C13 | N18 | 133.7° | 179.6° |
| N11 | C12 | C13 | H13 | 12.0° | 59.3° |
| H11 | N11 | C12 | C13 | 0.8° | 0.0° |
| H11 | N11 | C12 | O14 | 179.9° | 180.0° |
| C12 | C13 | C15 | N18 | 118.0° | 119.5° |
| C12 | C13 | C15 | H13 | 120.3° | 121.2° |
| C12 | C13 | N18 | H13 | 120.3° | 121.1° |
| C12 | C13 | C15 | C16 | 140.9° | 119.3° |
| C12 | C13 | C15 | H15 | 39.1° | 60.6° |
| C12 | C13 | N18 | C17 | 119.7° | 119.3° |
| C12 | C13 | N18 | C19 | 60.1° | 60.6° |
| O14 | C12 | C13 | C15 | 71.0° | 118.2° |
| O14 | C12 | C13 | N18 | 45.6° | 0.4° |
| O14 | C12 | C13 | H13 | 167.3° | 120.7° |
| C15 | C13 | N18 | H13 | 121.5° | 119.4° |
| C13 | C15 | C16 | H15 | 180.0° | 179.9° |
| C13 | C15 | C16 | C17 | 34.5° | 0.0° |
| C13 | C15 | C16 | H16 | 145.6° | 179.9° |
| C15 | C13 | N18 | C17 | 1.5° | 0.2° |
| C15 | C13 | N18 | C19 | 178.2° | 180.0° |
| N18 | C13 | C15 | C16 | 22.9° | 0.1° |
| N18 | C13 | C15 | H15 | 157.1° | 179.9° |
| C13 | N18 | C17 | C16 | 21.1° | 0.2° |
| C13 | N18 | C17 | C19 | 179.8° | 179.9° |
| C13 | N18 | C17 | H171 | 142.1° | 119.3° |
| C13 | N18 | C17 | H172 | 98.9° | 119.6° |
| C13 | N18 | C19 | C20 | 179.5° | 179.8° |
| C13 | N18 | C19 | O21 | 0.0° | 0.2° |
| H13 | C13 | C15 | C16 | 98.7° | 119.5° |
| H13 | C13 | C15 | H15 | 81.3° | 60.6° |
| H13 | C13 | N18 | C17 | 120.0° | 119.6° |
| H13 | C13 | N18 | C19 | 60.2° | 60.6° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | N18 | 35.0° | 0.1° |
| C15 | C16 | C17 | H171 | 156.0° | 119.4° |
| C15 | C16 | C17 | H172 | 85.1° | 119.4° |
| H15 | C15 | C16 | C17 | 145.5° | 180.0° |
| H15 | C15 | C16 | H16 | 34.4° | 0.0° |
| C16 | C17 | N18 | H171 | 121.0° | 119.5° |
| C16 | C17 | N18 | H172 | 120.0° | 119.4° |
| C16 | C17 | H171 | H172 | 120.7° | 121.2° |
| C16 | C17 | N18 | C19 | 159.1° | 180.0° |
| H16 | C16 | C17 | N18 | 145.0° | 179.9° |
| H16 | C16 | C17 | H171 | 24.0° | 60.6° |
| H16 | C16 | C17 | H172 | 94.9° | 60.6° |
| N18 | C17 | H171 | H172 | 120.7° | 121.0° |
| C17 | N18 | C19 | C20 | 0.2° | 0.0° |
| C17 | N18 | C19 | O21 | 179.7° | 180.0° |
| H171 | C17 | N18 | C19 | 38.1° | 60.6° |
| H172 | C17 | N18 | C19 | 80.9° | 60.6° |
| N18 | C19 | C20 | O21 | 179.6° | 180.0° |
| N18 | C19 | C20 | N22 | 133.1° | 168.7° |
| N18 | C19 | C20 | C27 | 108.0° | 71.3° |
| N18 | C19 | C20 | H20 | 11.9° | 48.7° |
| C19 | C20 | N22 | C27 | 120.8° | 120.0° |
| C19 | C20 | N22 | H20 | 119.3° | 120.0° |
| C19 | C20 | C27 | H20 | 119.3° | 120.0° |
| C19 | C20 | N22 | C23 | 64.2° | 67.6° |
| C19 | C20 | N22 | H22 | 175.8° | 46.2° |
| C19 | C20 | C27 | C28 | 67.1° | 172.9° |
| C19 | C20 | C27 | H271 | 173.6° | 52.9° |
| C19 | C20 | C27 | H272 | 52.9° | 67.1° |
| O21 | C19 | C20 | N22 | 46.5° | 11.3° |
| O21 | C19 | C20 | C27 | 72.4° | 108.7° |
| O21 | C19 | C20 | H20 | 167.7° | 131.3° |
| N22 | C20 | C27 | H20 | 121.2° | 120.0° |
| C20 | N22 | C23 | H22 | 120.0° | 113.8° |
| C20 | N22 | C23 | C24 | 177.1° | 176.6° |
| C20 | N22 | C23 | H231 | 62.4° | 56.6° |
| C20 | N22 | C23 | H232 | 57.1° | 63.5° |
| N22 | C20 | C27 | C28 | 173.4° | 67.0° |
| N22 | C20 | C27 | H271 | 54.1° | 173.0° |
| N22 | C20 | C27 | H272 | 66.6° | 52.9° |
| C27 | C20 | N22 | C23 | 175.0° | 52.5° |
| C27 | C20 | N22 | H22 | 55.0° | 166.2° |
| C20 | C27 | C28 | H271 | 119.3° | 120.0° |
| C20 | C27 | C28 | H272 | 120.0° | 120.0° |
| C20 | C27 | H271 | H272 | 119.5° | 120.0° |
| C20 | C27 | C28 | C29 | 157.1° | 172.8° |
| C20 | C27 | C28 | C33 | 82.4° | 67.2° |
| C20 | C27 | C28 | H28 | 37.2° | 52.7° |
| H20 | C20 | N22 | C23 | 55.1° | 172.5° |
| H20 | C20 | N22 | H22 | 64.9° | 73.8° |
| H20 | C20 | C27 | C28 | 52.2° | 53.0° |
| H20 | C20 | C27 | H271 | 67.1° | 67.0° |
| H20 | C20 | C27 | H272 | 172.2° | 172.9° |
| N22 | C23 | C24 | H231 | 120.5° | 120.0° |
| N22 | C23 | C24 | H232 | 120.0° | 120.0° |
| N22 | C23 | H231 | H232 | 120.3° | 120.0° |
| N22 | C23 | C24 | O25 | 39.0° | 180.0° |
| N22 | C23 | C24 | O26 | 140.8° | 0.0° |
| H22 | N22 | C23 | C24 | 62.9° | 69.6° |
| H22 | N22 | C23 | H231 | 57.6° | 170.4° |
| H22 | N22 | C23 | H232 | 177.0° | 50.4° |
| C24 | C23 | H231 | H232 | 120.4° | 120.0° |
| C23 | C24 | O25 | O26 | 179.8° | 180.0° |
| C23 | C24 | O25 | H25 | 179.8° | 180.0° |
| H231 | C23 | C24 | O25 | 81.5° | 60.0° |
| H231 | C23 | C24 | O26 | 98.7° | 120.0° |
| H232 | C23 | C24 | O25 | 159.0° | 60.0° |
| H232 | C23 | C24 | O26 | 20.8° | 120.0° |
| O26 | C24 | O25 | H25 | 0.0° | 0.1° |
| C28 | C27 | H271 | H272 | 119.6° | 119.9° |
| C27 | C28 | C29 | C33 | 121.2° | 120.0° |
| C27 | C28 | C29 | H28 | 119.2° | 120.0° |
| C27 | C28 | C33 | H28 | 119.2° | 119.9° |
| C27 | C28 | C29 | C30 | 176.8° | 180.0° |
| C27 | C28 | C29 | H291 | 63.1° | 60.0° |
| C27 | C28 | C29 | H292 | 56.8° | 60.0° |
| C27 | C28 | C33 | C32 | 176.1° | 179.9° |
| C27 | C28 | C33 | H331 | 55.8° | 60.0° |
| C27 | C28 | C33 | H332 | 63.9° | 60.0° |
| H271 | C27 | C28 | C29 | 83.6° | 52.8° |
| H271 | C27 | C28 | C33 | 37.0° | 172.8° |
| H271 | C27 | C28 | H28 | 156.5° | 67.3° |
| H272 | C27 | C28 | C29 | 37.1° | 67.2° |
| H272 | C27 | C28 | C33 | 157.6° | 52.8° |
| H272 | C27 | C28 | H28 | 82.8° | 172.7° |
| C29 | C28 | C33 | H28 | 119.9° | 120.1° |
| C28 | C29 | C30 | H291 | 120.1° | 120.0° |
| C28 | C29 | C30 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H292 | 120.1° | 120.0° |
| C28 | C29 | C30 | C31 | 57.6° | 60.0° |
| C28 | C29 | C30 | H301 | 177.0° | 60.0° |
| C28 | C29 | C30 | H302 | 62.4° | 180.0° |
| C29 | C28 | C33 | C32 | 63.1° | 60.0° |
| C29 | C28 | C33 | H331 | 176.7° | 60.0° |
| C29 | C28 | C33 | H332 | 57.0° | 180.0° |
| C33 | C28 | C29 | C30 | 62.0° | 60.0° |
| C33 | C28 | C29 | H291 | 58.1° | 180.0° |
| C33 | C28 | C29 | H292 | 178.0° | 60.0° |
| C28 | C33 | C32 | C31 | 59.3° | 60.0° |
| C28 | C33 | C32 | H331 | 120.2° | 120.0° |
| C28 | C33 | C32 | H332 | 120.0° | 120.0° |
| C28 | C33 | C32 | H321 | 178.9° | 60.0° |
| C28 | C33 | C32 | H322 | 60.7° | 180.0° |
| C28 | C33 | H331 | H332 | 120.1° | 120.0° |
| H28 | C28 | C29 | C30 | 57.6° | 60.0° |
| H28 | C28 | C29 | H291 | 177.7° | 60.0° |
| H28 | C28 | C29 | H292 | 62.4° | 180.0° |
| H28 | C28 | C33 | C32 | 56.9° | 60.0° |
| H28 | C28 | C33 | H331 | 63.3° | 179.9° |
| H28 | C28 | C33 | H332 | 176.9° | 59.9° |
| C30 | C29 | H291 | H292 | 120.1° | 120.0° |
| C29 | C30 | C31 | H301 | 119.5° | 120.0° |
| C29 | C30 | C31 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H302 | 119.7° | 120.0° |
| C29 | C30 | C31 | C32 | 54.4° | 60.0° |
| C29 | C30 | C31 | H311 | 64.9° | 180.0° |
| C29 | C30 | C31 | H312 | 174.3° | 60.0° |
| H291 | C29 | C30 | C31 | 62.5° | 180.0° |
| H291 | C29 | C30 | H301 | 56.9° | 60.0° |
| H291 | C29 | C30 | H302 | 177.5° | 60.0° |
| H292 | C29 | C30 | C31 | 177.6° | 60.0° |
| H292 | C29 | C30 | H301 | 63.0° | 180.0° |
| H292 | C29 | C30 | H302 | 57.6° | 60.0° |
| C31 | C30 | H301 | H302 | 119.6° | 120.0° |
| C30 | C31 | C32 | H311 | 119.3° | 120.1° |
| C30 | C31 | C32 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H312 | 119.5° | 120.0° |
| C30 | C31 | C32 | C33 | 55.3° | 60.0° |
| C30 | C31 | C32 | H321 | 174.9° | 60.0° |
| C30 | C31 | C32 | H322 | 64.7° | 180.0° |
| H301 | C30 | C31 | C32 | 173.8° | 60.0° |
| H301 | C30 | C31 | H311 | 54.5° | 60.0° |
| H301 | C30 | C31 | H312 | 66.2° | 180.0° |
| H302 | C30 | C31 | C32 | 65.7° | 180.0° |
| H302 | C30 | C31 | H311 | 175.0° | 60.0° |
| H302 | C30 | C31 | H312 | 54.3° | 59.9° |
| C32 | C31 | H311 | H312 | 119.5° | 120.0° |
| C31 | C32 | C33 | H321 | 119.6° | 120.0° |
| C31 | C32 | C33 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 119.7° | 120.0° |
| C31 | C32 | C33 | H331 | 179.5° | 60.0° |
| C31 | C32 | C33 | H332 | 60.7° | 180.0° |
| H311 | C31 | C32 | C33 | 64.0° | 179.9° |
| H311 | C31 | C32 | H321 | 55.6° | 60.0° |
| H311 | C31 | C32 | H322 | 176.0° | 59.9° |
| H312 | C31 | C32 | C33 | 175.3° | 60.0° |
| H312 | C31 | C32 | H321 | 65.2° | 180.0° |
| H312 | C31 | C32 | H322 | 55.2° | 60.0° |
| C33 | C32 | H321 | H322 | 119.7° | 120.0° |
| C32 | C33 | H331 | H332 | 120.1° | 120.0° |
| H321 | C32 | C33 | H331 | 60.9° | 180.0° |
| H321 | C32 | C33 | H332 | 58.9° | 60.0° |
| H322 | C32 | C33 | H331 | 59.5° | 60.0° |
| H322 | C32 | C33 | H332 | 179.3° | 60.0° |
