A1ISH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | F7 | sing | 1.40Å | 1.36Å | |
| C3 | F8 | sing | 1.40Å | 1.35Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C9 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | N11 | sing | 1.46Å | 1.47Å | |
| C10 | N12 | sing | 1.35Å | 1.35Å | |
| C10 | O13 | doub | 1.21Å | 1.20Å | |
| N11 | C30 | sing | 1.35Å | 1.34Å | |
| N12 | C14 | sing | 1.39Å | 1.35Å | |
| C14 | S15 | sing | 1.71Å | 1.73Å | Aromatic |
| C14 | N18 | doub | 1.30Å | 1.26Å | Aromatic |
| S15 | C16 | sing | 1.76Å | 1.74Å | Aromatic |
| C16 | C17 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.51Å | |
| C17 | N18 | sing | 1.32Å | 1.45Å | Aromatic |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| N20 | C21 | sing | 1.35Å | 1.36Å | |
| N20 | C24 | sing | 1.39Å | 1.41Å | |
| C21 | N22 | sing | 1.35Å | 1.36Å | |
| C21 | O29 | doub | 1.22Å | 1.21Å | |
| N22 | C23 | sing | 1.39Å | 1.41Å | |
| C23 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.47Å | 1.47Å | |
| C30 | O32 | doub | 1.22Å | 1.21Å | |
| C31 | C33 | doub | 1.33Å | 1.34Å | |
| C31 | F34 | sing | 1.35Å | 1.32Å | |
| C33 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| N22 | H17 | sing | 0.97Å | 1.00Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 109.3° | 109.5° |
| C1 | C2 | C3 | 109.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C6 | C5 | 113.0° | 109.5° |
| C1 | C6 | C9 | 111.4° | 109.5° |
| C6 | C1 | H1 | 109.5° | 109.4° |
| C6 | C1 | H2 | 109.5° | 109.5° |
| C1 | C6 | H9 | 106.8° | 109.5° |
| C2 | C3 | C4 | 112.7° | 109.4° |
| C2 | C3 | F7 | 110.7° | 109.5° |
| C2 | C3 | F8 | 107.7° | 109.5° |
| C3 | C2 | H4 | 109.5° | 109.4° |
| C3 | C2 | H3 | 109.5° | 109.5° |
| C4 | C3 | F7 | 108.8° | 109.5° |
| C4 | C3 | F8 | 108.0° | 109.5° |
| C3 | C4 | C5 | 109.0° | 109.5° |
| C3 | C4 | H6 | 109.6° | 109.5° |
| C3 | C4 | H5 | 109.6° | 109.5° |
| F7 | C3 | F8 | 108.7° | 109.5° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C5 | C4 | H6 | 109.6° | 109.5° |
| C5 | C4 | H5 | 109.6° | 109.5° |
| C4 | C5 | H8 | 109.1° | 109.5° |
| C4 | C5 | H7 | 109.1° | 109.5° |
| C5 | C6 | C9 | 111.4° | 109.5° |
| C6 | C5 | H8 | 109.1° | 109.4° |
| C6 | C5 | H7 | 109.1° | 109.5° |
| C5 | C6 | H9 | 106.9° | 109.5° |
| C6 | C9 | C10 | 110.0° | 109.5° |
| C6 | C9 | N11 | 109.5° | 109.4° |
| C9 | C6 | H9 | 106.9° | 109.4° |
| C6 | C9 | H10 | 109.5° | 109.5° |
| C10 | C9 | N11 | 107.1° | 109.5° |
| C9 | C10 | N12 | 121.2° | 120.0° |
| C9 | C10 | O13 | 115.8° | 120.0° |
| C10 | C9 | H10 | 110.0° | 109.5° |
| C9 | N11 | C30 | 122.4° | 120.0° |
| N11 | C9 | H10 | 110.6° | 109.4° |
| C9 | N11 | H11 | 118.8° | 120.0° |
| N12 | C10 | O13 | 123.0° | 120.0° |
| C10 | N12 | C14 | 126.0° | 120.0° |
| C10 | N12 | H13 | 117.0° | 120.0° |
| N11 | C30 | C31 | 117.7° | 120.0° |
| N11 | C30 | O32 | 122.0° | 120.0° |
| C30 | N11 | H11 | 118.8° | 120.0° |
| N12 | C14 | S15 | 122.4° | 125.0° |
| N12 | C14 | N18 | 124.4° | 124.9° |
| C14 | N12 | H13 | 117.0° | 120.0° |
| S15 | C14 | N18 | 113.0° | 110.1° |
| C14 | S15 | C16 | 88.7° | 90.4° |
| C14 | N18 | C17 | 116.0° | 116.9° |
| S15 | C16 | C17 | 113.5° | 108.0° |
| S15 | C16 | C19 | 120.1° | 126.0° |
| C17 | C16 | C19 | 126.3° | 125.9° |
| C16 | C17 | N18 | 108.7° | 114.6° |
| C16 | C17 | H14 | 125.7° | 122.8° |
| C16 | C19 | N20 | 105.6° | 109.5° |
| C16 | C19 | H16 | 110.4° | 109.5° |
| C16 | C19 | H15 | 110.4° | 109.5° |
| N18 | C17 | H14 | 125.6° | 122.7° |
| C19 | N20 | C21 | 125.0° | 125.8° |
| C19 | N20 | C24 | 126.7° | 125.8° |
| N20 | C19 | H16 | 110.5° | 109.4° |
| N20 | C19 | H15 | 110.4° | 109.5° |
| C21 | N20 | C24 | 108.0° | 108.4° |
| N20 | C21 | N22 | 109.6° | 109.6° |
| N20 | C21 | O29 | 125.3° | 125.2° |
| N20 | C24 | C23 | 106.8° | 106.8° |
| N20 | C24 | C28 | 129.8° | 133.3° |
| N22 | C21 | O29 | 125.0° | 125.2° |
| C21 | N22 | C23 | 107.3° | 108.4° |
| C21 | N22 | H17 | 126.3° | 125.8° |
| N22 | C23 | C24 | 108.2° | 106.8° |
| N22 | C23 | C25 | 128.4° | 133.3° |
| C23 | N22 | H17 | 126.3° | 125.8° |
| C24 | C23 | C25 | 123.3° | 119.9° |
| C23 | C24 | C28 | 123.3° | 119.8° |
| C23 | C25 | C26 | 114.3° | 119.8° |
| C23 | C25 | H18 | 122.8° | 120.1° |
| C24 | C28 | C27 | 114.6° | 119.9° |
| C24 | C28 | H21 | 122.7° | 120.1° |
| C25 | C26 | C27 | 122.4° | 120.3° |
| C26 | C25 | H18 | 122.9° | 120.1° |
| C25 | C26 | H19 | 118.8° | 119.9° |
| C26 | C27 | C28 | 122.0° | 120.3° |
| C27 | C26 | H19 | 118.8° | 119.8° |
| C26 | C27 | H20 | 119.0° | 119.9° |
| C28 | C27 | H20 | 119.0° | 119.8° |
| C27 | C28 | H21 | 122.7° | 120.1° |
| C31 | C30 | O32 | 120.3° | 120.0° |
| C30 | C31 | C33 | 129.5° | 120.0° |
| C30 | C31 | F34 | 115.0° | 120.0° |
| C33 | C31 | F34 | 115.4° | 120.0° |
| C31 | C33 | C35 | 131.3° | 120.0° |
| C31 | C33 | H22 | 114.4° | 120.0° |
| C33 | C35 | C36 | 116.1° | 117.5° |
| C33 | C35 | C37 | 113.6° | 117.5° |
| C35 | C33 | H22 | 114.4° | 120.0° |
| C33 | C35 | H23 | 118.5° | 115.5° |
| C36 | C35 | C37 | 59.6° | 60.0° |
| C35 | C36 | C37 | 60.3° | 60.0° |
| C36 | C35 | H23 | 117.7° | 117.5° |
| C35 | C36 | H25 | 119.9° | 117.5° |
| C35 | C36 | H24 | 119.9° | 117.5° |
| C35 | C37 | C36 | 60.0° | 60.0° |
| C37 | C35 | H23 | 117.7° | 117.5° |
| C35 | C37 | H26 | 120.0° | 117.5° |
| C35 | C37 | H27 | 120.0° | 117.5° |
| C37 | C36 | H25 | 119.9° | 117.5° |
| C37 | C36 | H24 | 119.9° | 117.5° |
| C36 | C37 | H26 | 120.0° | 117.5° |
| C36 | C37 | H27 | 120.0° | 117.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C2 | H3 | 109.5° | 109.5° |
| H16 | C19 | H15 | 109.5° | 109.4° |
| H6 | C4 | H5 | 109.5° | 109.5° |
| H8 | C5 | H7 | 109.5° | 109.5° |
| H25 | C36 | H24 | 109.5° | 115.5° |
| H26 | C37 | H27 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 120.0° | 120.0° |
| C2 | C1 | C6 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 119.9° | 120.0° |
| C1 | C2 | C3 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 59.9° | 60.0° |
| C1 | C2 | C3 | F7 | 62.3° | 60.0° |
| C1 | C2 | C3 | F8 | 178.9° | 180.0° |
| C2 | C1 | C6 | C5 | 56.3° | 60.0° |
| C2 | C1 | C6 | C9 | 177.3° | 180.0° |
| C2 | C1 | H1 | H2 | 120.1° | 120.0° |
| C1 | C2 | H4 | H3 | 120.1° | 120.1° |
| C2 | C1 | C6 | H9 | 61.0° | 60.0° |
| C6 | C1 | C2 | C3 | 56.8° | 60.0° |
| C1 | C6 | C5 | C4 | 55.5° | 59.9° |
| C1 | C6 | C5 | C9 | 126.3° | 120.1° |
| C1 | C6 | C5 | H9 | 117.2° | 120.0° |
| C1 | C6 | C9 | H9 | 116.3° | 120.0° |
| C1 | C6 | C9 | C10 | 174.3° | 66.1° |
| C1 | C6 | C9 | N11 | 56.8° | 53.9° |
| C6 | C1 | H1 | H2 | 120.1° | 120.0° |
| C6 | C1 | C2 | H4 | 176.7° | 180.0° |
| C6 | C1 | C2 | H3 | 63.2° | 60.0° |
| C1 | C6 | C5 | H8 | 64.7° | 60.0° |
| C1 | C6 | C5 | H7 | 175.7° | 180.0° |
| C1 | C6 | C9 | H10 | 64.7° | 173.8° |
| C2 | C3 | C4 | F7 | 123.2° | 120.0° |
| C2 | C3 | C4 | F8 | 118.9° | 120.0° |
| C2 | C3 | F7 | F8 | 118.2° | 120.0° |
| C2 | C3 | C4 | C5 | 57.9° | 60.0° |
| C3 | C2 | C1 | H1 | 176.7° | 180.0° |
| C3 | C2 | C1 | H2 | 63.2° | 60.0° |
| C3 | C2 | H4 | H3 | 120.1° | 120.0° |
| C2 | C3 | C4 | H6 | 177.9° | 180.0° |
| C2 | C3 | C4 | H5 | 62.0° | 60.1° |
| C4 | C3 | F7 | F8 | 117.4° | 120.0° |
| C3 | C4 | C5 | H6 | 119.9° | 120.0° |
| C3 | C4 | C5 | H5 | 119.9° | 120.0° |
| C3 | C4 | C5 | C6 | 54.2° | 60.0° |
| C4 | C3 | C2 | H4 | 179.8° | 180.0° |
| C4 | C3 | C2 | H3 | 60.1° | 60.0° |
| C3 | C4 | H6 | H5 | 120.2° | 120.0° |
| C3 | C4 | C5 | H8 | 66.0° | 60.0° |
| C3 | C4 | C5 | H7 | 174.5° | 180.0° |
| F7 | C3 | C4 | C5 | 65.3° | 60.0° |
| F7 | C3 | C2 | H4 | 57.6° | 60.0° |
| F7 | C3 | C2 | H3 | 177.7° | 180.0° |
| F7 | C3 | C4 | H6 | 54.6° | 60.0° |
| F7 | C3 | C4 | H5 | 174.8° | 180.0° |
| F8 | C3 | C4 | C5 | 176.8° | 180.0° |
| F8 | C3 | C2 | H4 | 61.2° | 60.0° |
| F8 | C3 | C2 | H3 | 59.0° | 60.0° |
| F8 | C3 | C4 | H6 | 63.2° | 60.0° |
| F8 | C3 | C4 | H5 | 56.9° | 60.0° |
| C4 | C5 | C6 | H8 | 120.2° | 120.0° |
| C4 | C5 | C6 | H7 | 120.2° | 120.1° |
| C4 | C5 | C6 | C9 | 178.2° | 180.0° |
| C5 | C4 | H6 | H5 | 120.2° | 120.0° |
| C4 | C5 | H8 | H7 | 119.3° | 120.0° |
| C4 | C5 | C6 | H9 | 61.7° | 60.0° |
| C5 | C6 | C9 | H9 | 116.5° | 120.0° |
| C5 | C6 | C9 | C10 | 58.5° | 173.8° |
| C5 | C6 | C9 | N11 | 175.9° | 66.2° |
| C5 | C6 | C1 | H1 | 176.3° | 180.0° |
| C5 | C6 | C1 | H2 | 63.6° | 60.1° |
| C6 | C5 | C4 | H6 | 174.2° | 180.0° |
| C6 | C5 | C4 | H5 | 65.7° | 60.1° |
| C6 | C5 | H8 | H7 | 119.3° | 120.0° |
| C5 | C6 | C9 | H10 | 62.6° | 53.8° |
| C6 | C9 | C10 | N11 | 118.9° | 120.0° |
| C6 | C9 | C10 | H10 | 120.7° | 120.1° |
| C6 | C9 | N11 | H10 | 120.8° | 120.0° |
| C6 | C9 | C10 | N12 | 99.9° | 75.9° |
| C6 | C9 | C10 | O13 | 80.1° | 104.2° |
| C6 | C9 | N11 | C30 | 150.5° | 85.0° |
| C9 | C6 | C1 | H1 | 57.3° | 59.9° |
| C9 | C6 | C1 | H2 | 62.7° | 60.0° |
| C9 | C6 | C5 | H8 | 61.6° | 60.0° |
| C9 | C6 | C5 | H7 | 57.9° | 59.9° |
| C6 | C9 | N11 | H11 | 29.5° | 95.0° |
| C10 | C9 | N11 | H10 | 119.9° | 120.0° |
| C9 | C10 | N12 | O13 | 179.9° | 179.9° |
| C10 | C9 | N11 | C30 | 90.2° | 155.1° |
| C9 | C10 | N12 | C14 | 178.1° | 173.9° |
| C10 | C9 | C6 | H9 | 58.0° | 53.9° |
| C10 | C9 | N11 | H11 | 89.8° | 25.0° |
| C9 | C10 | N12 | H13 | 2.0° | 6.1° |
| N11 | C9 | C10 | N12 | 141.2° | 164.1° |
| N11 | C9 | C10 | O13 | 38.9° | 15.8° |
| C9 | N11 | C30 | H11 | 180.0° | 180.0° |
| C9 | N11 | C30 | C31 | 179.6° | 180.0° |
| C9 | N11 | C30 | O32 | 1.3° | 0.0° |
| N11 | C9 | C6 | H9 | 59.5° | 173.8° |
| C10 | N12 | C14 | H13 | 180.0° | 179.9° |
| C10 | N12 | C14 | S15 | 3.1° | 180.0° |
| C10 | N12 | C14 | N18 | 177.7° | 0.2° |
| N12 | C10 | C9 | H10 | 20.9° | 44.1° |
| O13 | C10 | N12 | C14 | 2.0° | 6.2° |
| O13 | C10 | C9 | H10 | 159.2° | 135.8° |
| O13 | C10 | N12 | H13 | 178.0° | 173.8° |
| N11 | C30 | C31 | O32 | 179.1° | 179.9° |
| N11 | C30 | C31 | C33 | 159.2° | 173.4° |
| N11 | C30 | C31 | F34 | 18.7° | 6.5° |
| C30 | N11 | C9 | H10 | 29.7° | 35.0° |
| N12 | C14 | S15 | N18 | 175.2° | 179.8° |
| N12 | C14 | S15 | C16 | 177.5° | 179.8° |
| N12 | C14 | N18 | C17 | 178.2° | 179.8° |
| C14 | S15 | C16 | C17 | 0.9° | 0.1° |
| C14 | S15 | C16 | C19 | 177.6° | 179.9° |
| S15 | C14 | N18 | C17 | 3.2° | 0.0° |
| S15 | C14 | N12 | H13 | 177.0° | 0.1° |
| N18 | C14 | S15 | C16 | 2.3° | 0.0° |
| C14 | N18 | C17 | C16 | 2.4° | 0.0° |
| C14 | N18 | C17 | H14 | 177.6° | 180.0° |
| N18 | C14 | N12 | H13 | 2.3° | 179.7° |
| S15 | C16 | C17 | C19 | 176.4° | 179.9° |
| S15 | C16 | C17 | N18 | 0.5° | 0.1° |
| S15 | C16 | C19 | N20 | 111.6° | 89.9° |
| S15 | C16 | C17 | H14 | 179.5° | 180.0° |
| S15 | C16 | C19 | H16 | 129.0° | 30.1° |
| S15 | C16 | C19 | H15 | 7.8° | 150.0° |
| C16 | C17 | N18 | H14 | 180.0° | 180.0° |
| C17 | C16 | C19 | N20 | 64.5° | 90.0° |
| C17 | C16 | C19 | H16 | 54.9° | 150.0° |
| C17 | C16 | C19 | H15 | 176.1° | 30.1° |
| C19 | C16 | C17 | N18 | 175.9° | 179.9° |
| C16 | C19 | N20 | H16 | 119.4° | 120.0° |
| C16 | C19 | N20 | H15 | 119.4° | 120.1° |
| C16 | C19 | N20 | C21 | 111.4° | 90.0° |
| C16 | C19 | N20 | C24 | 61.8° | 90.0° |
| C19 | C16 | C17 | H14 | 4.1° | 0.1° |
| C16 | C19 | H16 | H15 | 121.8° | 120.0° |
| C19 | N20 | C21 | C24 | 174.3° | 180.0° |
| C19 | N20 | C21 | N22 | 175.0° | 180.0° |
| C19 | N20 | C21 | O29 | 1.0° | 0.2° |
| C19 | N20 | C24 | C23 | 174.7° | 179.8° |
| C19 | N20 | C24 | C28 | 7.6° | 0.3° |
| N20 | C19 | H16 | H15 | 121.8° | 120.0° |
| N20 | C21 | N22 | O29 | 176.0° | 179.8° |
| N20 | C21 | N22 | C23 | 0.6° | 0.2° |
| C21 | N20 | C24 | C23 | 0.6° | 0.2° |
| C21 | N20 | C24 | C28 | 178.2° | 179.7° |
| C21 | N20 | C19 | H16 | 8.0° | 30.0° |
| C21 | N20 | C19 | H15 | 129.3° | 150.0° |
| N20 | C21 | N22 | H17 | 179.4° | 179.7° |
| C24 | N20 | C21 | N22 | 0.7° | 0.0° |
| C24 | N20 | C21 | O29 | 175.2° | 179.8° |
| N20 | C24 | C23 | N22 | 0.2° | 0.4° |
| N20 | C24 | C23 | C28 | 177.8° | 179.9° |
| N20 | C24 | C23 | C25 | 176.6° | 180.0° |
| N20 | C24 | C28 | C27 | 177.9° | 180.0° |
| C24 | N20 | C19 | H16 | 178.8° | 150.0° |
| C24 | N20 | C19 | H15 | 57.5° | 30.0° |
| N20 | C24 | C28 | H21 | 2.1° | 0.1° |
| C21 | N22 | C23 | H17 | 180.0° | 180.0° |
| C21 | N22 | C23 | C24 | 0.2° | 0.4° |
| C21 | N22 | C23 | C25 | 176.9° | 179.9° |
| O29 | C21 | N22 | C23 | 175.4° | 180.0° |
| O29 | C21 | N22 | H17 | 4.6° | 0.0° |
| N22 | C23 | C24 | C25 | 176.8° | 179.6° |
| N22 | C23 | C24 | C28 | 178.1° | 179.5° |
| N22 | C23 | C25 | C26 | 177.4° | 179.5° |
| N22 | C23 | C25 | H18 | 2.6° | 0.4° |
| C24 | C23 | C25 | C26 | 1.2° | 0.0° |
| C23 | C24 | C28 | C27 | 0.6° | 0.1° |
| C24 | C23 | C25 | H18 | 178.8° | 179.9° |
| C23 | C24 | C28 | H21 | 179.4° | 180.0° |
| C24 | C23 | N22 | H17 | 179.8° | 179.6° |
| C25 | C23 | C24 | C28 | 1.2° | 0.1° |
| C23 | C25 | C26 | H18 | 180.0° | 179.9° |
| C23 | C25 | C26 | C27 | 0.5° | 0.0° |
| C23 | C25 | C26 | H19 | 179.5° | 180.0° |
| C25 | C23 | N22 | H17 | 3.2° | 0.0° |
| C24 | C28 | C27 | C26 | 2.3° | 0.0° |
| C24 | C28 | C27 | H21 | 180.0° | 179.9° |
| C24 | C28 | C27 | H20 | 177.7° | 179.9° |
| C25 | C26 | C27 | H19 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 2.4° | 0.0° |
| C25 | C26 | C27 | H20 | 177.6° | 180.0° |
| C26 | C27 | C28 | H20 | 180.0° | 180.0° |
| C27 | C26 | C25 | H18 | 179.5° | 179.9° |
| C26 | C27 | C28 | H21 | 177.7° | 179.9° |
| C28 | C27 | C26 | H19 | 177.6° | 180.0° |
| C30 | C31 | C33 | F34 | 177.9° | 180.0° |
| C30 | C31 | C33 | C35 | 0.7° | 7.6° |
| C31 | C30 | N11 | H11 | 0.4° | 0.0° |
| C30 | C31 | C33 | H22 | 179.2° | 172.3° |
| O32 | C30 | C31 | C33 | 21.7° | 6.6° |
| O32 | C30 | C31 | F34 | 160.4° | 173.4° |
| O32 | C30 | N11 | H11 | 178.7° | 180.0° |
| C31 | C33 | C35 | H22 | 180.0° | 179.9° |
| C31 | C33 | C35 | C36 | 138.0° | 112.3° |
| C31 | C33 | C35 | C37 | 155.6° | 179.1° |
| C31 | C33 | C35 | H23 | 11.0° | 33.3° |
| F34 | C31 | C33 | C35 | 177.1° | 172.4° |
| F34 | C31 | C33 | H22 | 2.9° | 7.7° |
| C33 | C35 | C36 | C37 | 103.3° | 107.5° |
| C33 | C35 | C36 | H23 | 149.3° | 144.9° |
| C33 | C35 | C37 | H23 | 144.9° | 145.0° |
| C33 | C35 | C36 | H25 | 147.2° | 145.0° |
| C33 | C35 | C36 | H24 | 6.2° | 0.0° |
| C33 | C35 | C37 | H26 | 1.9° | 0.0° |
| C33 | C35 | C37 | H27 | 143.0° | 145.0° |
| C36 | C35 | C37 | H23 | 107.6° | 107.5° |
| C35 | C36 | C37 | H25 | 109.6° | 107.5° |
| C35 | C36 | C37 | H24 | 109.6° | 107.5° |
| C36 | C35 | C33 | H22 | 42.1° | 67.6° |
| C35 | C36 | H25 | H24 | 144.6° | 145.7° |
| C36 | C35 | C37 | H26 | 109.5° | 107.5° |
| C36 | C35 | C37 | H27 | 109.5° | 107.5° |
| C37 | C35 | C33 | H22 | 24.4° | 1.0° |
| C35 | C37 | H26 | H27 | 144.7° | 145.7° |
| C37 | C36 | H25 | H24 | 144.5° | 145.7° |
| C36 | C37 | H26 | H27 | 144.7° | 145.7° |
| H1 | C1 | C2 | H4 | 63.3° | 60.0° |
| H1 | C1 | C2 | H3 | 56.8° | 60.0° |
| H1 | C1 | C6 | H9 | 59.0° | 60.0° |
| H2 | C1 | C2 | H4 | 56.7° | 59.9° |
| H2 | C1 | C2 | H3 | 176.8° | 180.0° |
| H2 | C1 | C6 | H9 | 179.1° | 180.0° |
| H18 | C25 | C26 | H19 | 0.6° | 0.1° |
| H19 | C26 | C27 | H20 | 2.4° | 0.0° |
| H20 | C27 | C28 | H21 | 2.3° | 0.0° |
| H6 | C4 | C5 | H8 | 53.9° | 60.0° |
| H6 | C4 | C5 | H7 | 65.6° | 60.0° |
| H5 | C4 | C5 | H8 | 174.1° | NaN° |
| H5 | C4 | C5 | H7 | 54.6° | 60.0° |
| H8 | C5 | C6 | H9 | 178.1° | 180.0° |
| H7 | C5 | C6 | H9 | 58.5° | 60.0° |
| H9 | C6 | C9 | H10 | 179.0° | 66.2° |
| H10 | C9 | N11 | H11 | 150.3° | 145.0° |
| H22 | C33 | C35 | H23 | 168.9° | 146.7° |
| H23 | C35 | C36 | H25 | 2.1° | 0.1° |
| H23 | C35 | C36 | H24 | 143.0° | 145.0° |
| H23 | C35 | C37 | H26 | 143.0° | 145.0° |
| H23 | C35 | C37 | H27 | 1.9° | 0.0° |
| H25 | C36 | C37 | H26 | 141.0° | 145.0° |
| H25 | C36 | C37 | H27 | 0.1° | 0.0° |
| H24 | C36 | C37 | H26 | 0.1° | 0.1° |
| H24 | C36 | C37 | H27 | 140.9° | 145.0° |
