IXY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | doub | 1.34Å | 1.52Å | Aromatic |
| C2 | S7 | sing | 1.76Å | 1.65Å | Aromatic |
| C3 | C4 | sing | 1.52Å | 1.53Å | |
| C3 | C9 | sing | 1.45Å | 1.54Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| S7 | C8 | sing | 1.70Å | 1.62Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.53Å | Aromatic |
| C8 | N20 | sing | 1.39Å | 1.34Å | |
| C9 | C10 | sing | 1.47Å | 1.51Å | |
| C10 | O11 | doub | 1.22Å | 1.23Å | |
| C10 | N12 | sing | 1.35Å | 1.33Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.32Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C21 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | N24 | sing | 1.47Å | 1.45Å | |
| N24 | C25 | sing | 1.47Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.34Å | 1.39Å | Aromatic |
| C27 | C31 | sing | 1.46Å | 1.39Å | Aromatic |
| C28 | N29 | sing | 1.37Å | 1.36Å | Aromatic |
| N29 | C30 | sing | 1.38Å | 1.35Å | Aromatic |
| C30 | C31 | doub | 1.41Å | 1.48Å | Aromatic |
| C30 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.37Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N12 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| N20 | H19 | sing | 0.97Å | 1.00Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| N24 | H22 | sing | 1.01Å | 1.00Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N29 | H29 | sing | 0.97Å | 1.00Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 109.9° | 108.7° |
| C1 | C2 | C3 | 131.9° | 124.3° |
| C1 | C2 | S7 | 129.8° | 124.9° |
| C2 | C1 | H1 | 109.4° | 109.6° |
| C2 | C1 | H2 | 109.3° | 109.6° |
| C1 | C6 | C5 | 109.8° | 109.1° |
| C6 | C1 | H1 | 109.3° | 109.6° |
| C6 | C1 | H2 | 109.4° | 109.6° |
| C1 | C6 | H8 | 109.4° | 109.5° |
| C1 | C6 | H9 | 109.4° | 109.5° |
| C3 | C2 | S7 | 98.3° | 110.8° |
| C2 | C3 | C4 | 107.4° | 123.5° |
| C2 | C3 | C9 | 113.9° | 112.4° |
| C2 | S7 | C8 | 115.7° | 92.7° |
| C4 | C3 | C9 | 138.7° | 124.1° |
| C3 | C4 | C5 | 117.2° | 108.7° |
| C3 | C4 | H4 | 107.5° | 109.6° |
| C3 | C4 | H5 | 107.5° | 109.6° |
| C3 | C9 | C8 | 113.3° | 113.4° |
| C3 | C9 | C10 | 136.7° | 123.3° |
| C4 | C5 | C6 | 110.9° | 109.2° |
| C5 | C4 | H4 | 107.5° | 109.6° |
| C5 | C4 | H5 | 107.5° | 109.6° |
| C4 | C5 | H6 | 109.1° | 109.5° |
| C4 | C5 | H7 | 109.1° | 109.5° |
| C6 | C5 | H6 | 109.1° | 109.5° |
| C6 | C5 | H7 | 109.1° | 109.5° |
| C5 | C6 | H8 | 109.4° | 109.6° |
| C5 | C6 | H9 | 109.4° | 109.6° |
| S7 | C8 | C9 | 98.8° | 110.7° |
| S7 | C8 | N20 | 129.0° | 124.6° |
| C9 | C8 | N20 | 132.2° | 124.6° |
| C8 | C9 | C10 | 110.0° | 123.3° |
| C8 | N20 | C21 | 124.0° | 120.0° |
| C8 | N20 | H19 | 118.0° | 120.0° |
| C9 | C10 | O11 | 118.1° | 120.0° |
| C9 | C10 | N12 | 119.0° | 120.0° |
| O11 | C10 | N12 | 122.7° | 120.0° |
| C10 | N12 | C13 | 124.2° | 120.0° |
| C10 | N12 | H11 | 117.9° | 120.0° |
| N12 | C13 | C14 | 108.7° | 109.4° |
| C13 | N12 | H11 | 117.9° | 120.0° |
| N12 | C13 | H12 | 109.7° | 109.5° |
| N12 | C13 | H13 | 109.7° | 109.4° |
| C13 | C14 | C15 | 120.7° | 120.0° |
| C13 | C14 | C19 | 120.5° | 120.0° |
| C14 | C13 | H12 | 109.7° | 109.5° |
| C14 | C13 | H13 | 109.7° | 109.5° |
| C15 | C14 | C19 | 118.8° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.0° |
| C14 | C15 | H14 | 120.2° | 120.0° |
| C14 | C19 | C18 | 121.6° | 120.0° |
| C14 | C19 | H18 | 119.2° | 120.0° |
| C15 | C16 | C17 | 121.0° | 120.0° |
| C16 | C15 | H14 | 120.1° | 120.0° |
| C15 | C16 | H15 | 119.5° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C17 | C16 | H15 | 119.5° | 120.0° |
| C16 | C17 | H16 | 120.1° | 120.0° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C18 | C17 | H16 | 120.1° | 120.0° |
| C17 | C18 | H17 | 120.5° | 120.0° |
| C19 | C18 | H17 | 120.5° | 120.0° |
| C18 | C19 | H18 | 119.2° | 120.0° |
| N20 | C21 | O22 | 123.0° | 120.0° |
| N20 | C21 | C23 | 116.3° | 120.0° |
| C21 | N20 | H19 | 118.0° | 120.0° |
| O22 | C21 | C23 | 120.7° | 120.0° |
| C21 | C23 | N24 | 110.3° | 109.5° |
| C21 | C23 | H20 | 109.3° | 109.5° |
| C21 | C23 | H21 | 109.2° | 109.5° |
| C23 | N24 | C25 | 119.5° | 111.0° |
| N24 | C23 | H20 | 109.3° | 109.4° |
| N24 | C23 | H21 | 109.3° | 109.5° |
| C23 | N24 | H22 | 106.9° | 111.0° |
| N24 | C25 | C26 | 109.9° | 109.5° |
| C25 | N24 | H22 | 106.9° | 111.0° |
| N24 | C25 | H24 | 109.4° | 109.5° |
| N24 | C25 | H25 | 109.3° | 109.5° |
| C25 | C26 | C27 | 109.1° | 109.5° |
| C26 | C25 | H24 | 109.3° | 109.5° |
| C26 | C25 | H25 | 109.4° | 109.4° |
| C25 | C26 | H26 | 109.6° | 109.5° |
| C25 | C26 | H27 | 109.6° | 109.5° |
| C26 | C27 | C28 | 127.0° | 126.5° |
| C26 | C27 | C31 | 126.2° | 126.5° |
| C27 | C26 | H26 | 109.6° | 109.5° |
| C27 | C26 | H27 | 109.5° | 109.5° |
| C28 | C27 | C31 | 106.8° | 107.0° |
| C27 | C28 | N29 | 110.4° | 109.9° |
| C27 | C28 | H28 | 124.8° | 125.0° |
| C27 | C31 | C30 | 106.7° | 106.1° |
| C27 | C31 | C32 | 132.0° | 134.0° |
| C28 | N29 | C30 | 109.3° | 109.9° |
| N29 | C28 | H28 | 124.8° | 125.1° |
| C28 | N29 | H29 | 125.3° | 125.0° |
| N29 | C30 | C31 | 106.8° | 107.1° |
| N29 | C30 | C35 | 134.6° | 133.5° |
| C30 | N29 | H29 | 125.4° | 125.1° |
| C31 | C30 | C35 | 118.6° | 119.4° |
| C30 | C31 | C32 | 121.4° | 119.9° |
| C30 | C35 | C34 | 118.6° | 119.8° |
| C30 | C35 | H33 | 120.7° | 120.1° |
| C31 | C32 | C33 | 117.8° | 119.8° |
| C31 | C32 | H30 | 121.1° | 120.1° |
| C32 | C33 | C34 | 121.3° | 120.6° |
| C33 | C32 | H30 | 121.1° | 120.1° |
| C32 | C33 | H31 | 119.4° | 119.7° |
| C33 | C34 | C35 | 122.3° | 120.6° |
| C34 | C33 | H31 | 119.4° | 119.7° |
| C33 | C34 | H32 | 118.8° | 119.7° |
| C35 | C34 | H32 | 118.8° | 119.7° |
| C34 | C35 | H33 | 120.7° | 120.2° |
| H1 | C1 | H2 | 109.5° | 109.7° |
| H4 | C4 | H5 | 109.4° | 109.7° |
| H6 | C5 | H7 | 109.5° | 109.6° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 120.1° | 119.7° |
| C2 | C1 | C6 | H2 | 120.0° | 119.8° |
| C1 | C2 | C3 | S7 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | C9 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 41.9° | 49.9° |
| C1 | C2 | S7 | C8 | 180.0° | 180.0° |
| C2 | C1 | H1 | H2 | 119.8° | 120.4° |
| C2 | C1 | C6 | H8 | 161.9° | 169.9° |
| C2 | C1 | C6 | H9 | 78.2° | 70.0° |
| C6 | C1 | C2 | C3 | 10.9° | 16.6° |
| C6 | C1 | C2 | S7 | 169.1° | 163.4° |
| C1 | C6 | C5 | C4 | 66.0° | 70.3° |
| C1 | C6 | C5 | H8 | 120.1° | 119.9° |
| C1 | C6 | C5 | H9 | 120.0° | 119.9° |
| C6 | C1 | H1 | H2 | 119.8° | 120.4° |
| C1 | C6 | C5 | H6 | 173.8° | 169.7° |
| C1 | C6 | C5 | H7 | 54.3° | 49.6° |
| C1 | C6 | H8 | H9 | 119.8° | 120.1° |
| C2 | C3 | C4 | C9 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 22.4° | 17.1° |
| C3 | C2 | S7 | C8 | 0.0° | 0.0° |
| C2 | C3 | C9 | C8 | 0.1° | 0.0° |
| C2 | C3 | C9 | C10 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 109.2° | 103.2° |
| C3 | C2 | C1 | H2 | 130.9° | 136.4° |
| C2 | C3 | C4 | H4 | 98.8° | 102.7° |
| C2 | C3 | C4 | H5 | 143.5° | 136.9° |
| S7 | C2 | C3 | C4 | 179.8° | 180.0° |
| S7 | C2 | C3 | C9 | 0.1° | 0.0° |
| C2 | S7 | C8 | C9 | 0.1° | 0.0° |
| C2 | S7 | C8 | N20 | 180.0° | 180.0° |
| S7 | C2 | C1 | H1 | 70.8° | 76.9° |
| S7 | C2 | C1 | H2 | 49.1° | 43.6° |
| C3 | C4 | C5 | H4 | 121.1° | 119.8° |
| C3 | C4 | C5 | H5 | 121.1° | 119.8° |
| C3 | C4 | C5 | C6 | 56.7° | 50.6° |
| C4 | C3 | C9 | C8 | 179.7° | 180.0° |
| C4 | C3 | C9 | C10 | 0.5° | 0.0° |
| C3 | C4 | H4 | H5 | 116.5° | 120.4° |
| C3 | C4 | C5 | H6 | 176.9° | 170.5° |
| C3 | C4 | C5 | H7 | 63.5° | 69.3° |
| C9 | C3 | C4 | C5 | 158.0° | 162.9° |
| C3 | C9 | C8 | S7 | 0.1° | 0.0° |
| C3 | C9 | C8 | C10 | 179.8° | 180.0° |
| C3 | C9 | C8 | N20 | 180.0° | 180.0° |
| C3 | C9 | C10 | O11 | 57.8° | 90.1° |
| C3 | C9 | C10 | N12 | 118.4° | 90.1° |
| C9 | C3 | C4 | H4 | 80.8° | 77.3° |
| C9 | C3 | C4 | H5 | 36.9° | 43.1° |
| C4 | C5 | C6 | H6 | 120.2° | 119.9° |
| C4 | C5 | C6 | H7 | 120.2° | 119.9° |
| C5 | C4 | H4 | H5 | 116.5° | 120.4° |
| C4 | C5 | H6 | H7 | 119.4° | 120.2° |
| C4 | C5 | C6 | H8 | 174.0° | 169.8° |
| C4 | C5 | C6 | H9 | 54.1° | 49.5° |
| C5 | C6 | C1 | H1 | 78.2° | 69.8° |
| C5 | C6 | C1 | H2 | 161.9° | 169.7° |
| C6 | C5 | C4 | H4 | 64.4° | 69.2° |
| C6 | C5 | C4 | H5 | 177.8° | 170.4° |
| C6 | C5 | H6 | H7 | 119.3° | 120.1° |
| C5 | C6 | H8 | H9 | 119.9° | 120.2° |
| S7 | C8 | C9 | N20 | 179.9° | 180.0° |
| S7 | C8 | C9 | C10 | 179.9° | 180.0° |
| S7 | C8 | N20 | C21 | 101.3° | 0.0° |
| S7 | C8 | N20 | H19 | 78.7° | 180.0° |
| C8 | C9 | C10 | O11 | 122.0° | 90.0° |
| C8 | C9 | C10 | N12 | 61.9° | 89.9° |
| C9 | C8 | N20 | C21 | 78.8° | 180.0° |
| C9 | C8 | N20 | H19 | 101.2° | 0.1° |
| N20 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | N20 | C21 | H19 | 180.0° | 180.0° |
| C8 | N20 | C21 | O22 | 1.0° | 0.0° |
| C8 | N20 | C21 | C23 | 179.6° | 180.0° |
| C9 | C10 | O11 | N12 | 176.0° | 179.9° |
| C9 | C10 | N12 | C13 | 177.7° | 180.0° |
| C9 | C10 | N12 | H11 | 2.3° | 0.1° |
| O11 | C10 | N12 | C13 | 1.8° | 0.1° |
| O11 | C10 | N12 | H11 | 178.2° | 180.0° |
| C10 | N12 | C13 | H11 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 76.2° | 180.0° |
| C10 | N12 | C13 | H12 | 163.9° | 59.9° |
| C10 | N12 | C13 | H13 | 43.7° | 60.1° |
| N12 | C13 | C14 | H12 | 119.9° | 120.0° |
| N12 | C13 | C14 | H13 | 119.9° | 119.9° |
| N12 | C13 | C14 | C15 | 20.6° | 90.1° |
| N12 | C13 | C14 | C19 | 160.9° | 90.3° |
| N12 | C13 | H12 | H13 | 120.3° | 119.9° |
| C13 | C14 | C15 | C19 | 178.5° | 179.7° |
| C13 | C14 | C15 | C16 | 179.4° | 180.0° |
| C13 | C14 | C19 | C18 | 179.5° | 179.8° |
| C14 | C13 | N12 | H11 | 103.8° | 0.1° |
| C14 | C13 | H12 | H13 | 120.4° | 120.1° |
| C13 | C14 | C15 | H14 | 0.6° | 0.1° |
| C13 | C14 | C19 | H18 | 0.5° | 0.0° |
| C14 | C15 | C16 | H14 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C19 | C18 | 0.9° | 0.5° |
| C15 | C14 | C13 | H12 | 99.3° | 30.0° |
| C15 | C14 | C13 | H13 | 140.5° | 150.0° |
| C14 | C15 | C16 | H15 | 179.9° | 180.0° |
| C15 | C14 | C19 | H18 | 179.0° | 179.7° |
| C19 | C14 | C15 | C16 | 0.9° | 0.3° |
| C14 | C19 | C18 | C17 | 0.1° | 0.4° |
| C14 | C19 | C18 | H18 | 180.0° | 179.8° |
| C19 | C14 | C13 | H12 | 79.2° | 149.7° |
| C19 | C14 | C13 | H13 | 41.0° | 29.7° |
| C19 | C14 | C15 | H14 | 179.1° | 179.7° |
| C14 | C19 | C18 | H17 | 179.9° | 179.7° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.7° | 0.0° |
| C15 | C16 | C17 | H16 | 179.2° | 180.0° |
| C16 | C17 | C18 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.7° | 0.2° |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 179.3° | 180.0° |
| C17 | C18 | C19 | H17 | 180.0° | 179.8° |
| C18 | C17 | C16 | H15 | 179.3° | 180.0° |
| C17 | C18 | C19 | H18 | 179.8° | 179.8° |
| C19 | C18 | C17 | H16 | 179.3° | 179.8° |
| N20 | C21 | O22 | C23 | 179.4° | 180.0° |
| N20 | C21 | C23 | N24 | 160.7° | 180.0° |
| N20 | C21 | C23 | H20 | 40.5° | 60.0° |
| N20 | C21 | C23 | H21 | 79.2° | 60.0° |
| O22 | C21 | C23 | N24 | 18.7° | 0.0° |
| O22 | C21 | N20 | H19 | 179.0° | 180.0° |
| O22 | C21 | C23 | H20 | 138.9° | 120.0° |
| O22 | C21 | C23 | H21 | 101.4° | 120.0° |
| C21 | C23 | N24 | H20 | 120.1° | 120.0° |
| C21 | C23 | N24 | H21 | 120.1° | 120.1° |
| C21 | C23 | N24 | C25 | 76.3° | 180.0° |
| C23 | C21 | N20 | H19 | 0.4° | 0.0° |
| C21 | C23 | H20 | H21 | 119.6° | 120.0° |
| C21 | C23 | N24 | H22 | 162.2° | 56.0° |
| C23 | N24 | C25 | H22 | 121.4° | 124.0° |
| C23 | N24 | C25 | C26 | 175.8° | 180.0° |
| N24 | C23 | H20 | H21 | 119.6° | 120.0° |
| C23 | N24 | C25 | H24 | 64.1° | 60.0° |
| C23 | N24 | C25 | H25 | 55.8° | 60.0° |
| N24 | C25 | C26 | H24 | 120.1° | 120.0° |
| N24 | C25 | C26 | H25 | 120.1° | 120.0° |
| N24 | C25 | C26 | C27 | 177.0° | 180.0° |
| C25 | N24 | C23 | H20 | 43.8° | 60.0° |
| C25 | N24 | C23 | H21 | 163.6° | 60.0° |
| N24 | C25 | H24 | H25 | 119.8° | 120.0° |
| N24 | C25 | C26 | H26 | 57.0° | 60.0° |
| N24 | C25 | C26 | H27 | 63.1° | 60.1° |
| C25 | C26 | C27 | H26 | 120.0° | 120.0° |
| C25 | C26 | C27 | H27 | 119.9° | 120.0° |
| C25 | C26 | C27 | C28 | 65.8° | 95.0° |
| C25 | C26 | C27 | C31 | 114.3° | 84.7° |
| C26 | C25 | N24 | H22 | 54.4° | 56.0° |
| C26 | C25 | H24 | H25 | 119.8° | 120.0° |
| C25 | C26 | H26 | H27 | 120.2° | 120.0° |
| C26 | C27 | C28 | C31 | 179.9° | 179.7° |
| C26 | C27 | C28 | N29 | 179.9° | 179.9° |
| C26 | C27 | C31 | C30 | 179.8° | 179.9° |
| C26 | C27 | C31 | C32 | 0.2° | 0.0° |
| C27 | C26 | C25 | H24 | 63.0° | 60.0° |
| C27 | C26 | C25 | H25 | 56.9° | 60.0° |
| C27 | C26 | H26 | H27 | 120.1° | 120.0° |
| C26 | C27 | C28 | H28 | 0.1° | 0.0° |
| C27 | C28 | N29 | H28 | 180.0° | 180.0° |
| C27 | C28 | N29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C31 | C30 | 0.1° | 0.4° |
| C28 | C27 | C31 | C32 | 179.7° | 179.8° |
| C28 | C27 | C26 | H26 | 174.2° | 145.0° |
| C28 | C27 | C26 | H27 | 54.1° | 25.0° |
| C27 | C28 | N29 | H29 | 179.9° | 179.9° |
| C31 | C27 | C28 | N29 | 0.0° | 0.2° |
| C27 | C31 | C30 | N29 | 0.1° | 0.4° |
| C27 | C31 | C30 | C32 | 179.7° | 179.9° |
| C27 | C31 | C30 | C35 | 179.9° | 179.9° |
| C27 | C31 | C32 | C33 | 179.4° | 180.0° |
| C31 | C27 | C26 | H26 | 5.7° | 35.3° |
| C31 | C27 | C26 | H27 | 125.8° | 155.3° |
| C31 | C27 | C28 | H28 | 180.0° | 179.8° |
| C27 | C31 | C32 | H30 | 0.6° | 0.0° |
| C28 | N29 | C30 | H29 | 180.0° | 179.9° |
| C28 | N29 | C30 | C31 | 0.1° | 0.3° |
| C28 | N29 | C30 | C35 | 180.0° | 180.0° |
| N29 | C30 | C31 | C35 | 179.9° | 179.8° |
| N29 | C30 | C31 | C32 | 179.8° | 179.7° |
| N29 | C30 | C35 | C34 | 179.5° | 179.2° |
| C30 | N29 | C28 | H28 | 179.9° | 180.0° |
| N29 | C30 | C35 | H33 | 0.5° | 0.1° |
| C30 | C31 | C32 | C33 | 0.3° | 0.2° |
| C31 | C30 | C35 | C34 | 0.6° | 0.5° |
| C31 | C30 | N29 | H29 | 179.9° | 179.8° |
| C30 | C31 | C32 | H30 | 179.8° | 179.9° |
| C31 | C30 | C35 | H33 | 179.4° | 179.8° |
| C35 | C30 | C31 | C32 | 0.2° | 0.0° |
| C30 | C35 | C34 | C33 | 0.4° | 0.6° |
| C30 | C35 | C34 | H33 | 180.0° | 179.3° |
| C35 | C30 | N29 | H29 | 0.0° | 0.1° |
| C30 | C35 | C34 | H32 | 179.6° | 179.8° |
| C31 | C32 | C33 | H30 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.4° | 0.0° |
| C31 | C32 | C33 | H31 | 179.6° | 180.0° |
| C32 | C33 | C34 | H31 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.4° |
| C32 | C33 | C34 | H32 | 179.9° | 180.0° |
| C33 | C34 | C35 | H32 | 180.0° | 179.6° |
| C34 | C33 | C32 | H30 | 179.6° | 179.9° |
| C33 | C34 | C35 | H33 | 179.5° | 179.9° |
| C35 | C34 | C33 | H31 | 179.9° | 179.6° |
| H1 | C1 | C6 | H8 | 41.8° | 50.1° |
| H1 | C1 | C6 | H9 | 161.7° | 170.3° |
| H2 | C1 | C6 | H8 | 78.0° | 70.3° |
| H2 | C1 | C6 | H9 | 41.9° | 49.8° |
| H4 | C4 | C5 | H6 | 55.8° | 50.8° |
| H4 | C4 | C5 | H7 | 175.4° | 170.9° |
| H5 | C4 | C5 | H6 | 62.0° | 69.7° |
| H5 | C4 | C5 | H7 | 57.6° | 50.5° |
| H6 | C5 | C6 | H8 | 53.8° | 49.8° |
| H6 | C5 | C6 | H9 | 66.2° | 70.4° |
| H7 | C5 | C6 | H8 | 65.8° | 70.3° |
| H7 | C5 | C6 | H9 | 174.3° | 169.5° |
| H11 | N12 | C13 | H12 | 16.1° | 120.0° |
| H11 | N12 | C13 | H13 | 136.3° | 120.0° |
| H14 | C15 | C16 | H15 | 0.1° | 0.0° |
| H15 | C16 | C17 | H16 | 0.8° | 0.0° |
| H16 | C17 | C18 | H17 | 0.8° | 0.0° |
| H17 | C18 | C19 | H18 | 0.1° | 0.1° |
| H20 | C23 | N24 | H22 | 77.6° | 176.0° |
| H21 | C23 | N24 | H22 | 42.1° | 64.1° |
| H22 | N24 | C25 | H24 | 174.5° | 176.0° |
| H22 | N24 | C25 | H25 | 65.6° | 64.0° |
| H24 | C25 | C26 | H26 | 177.0° | 180.0° |
| H24 | C25 | C26 | H27 | 56.9° | 60.0° |
| H25 | C25 | C26 | H26 | 63.1° | 60.0° |
| H25 | C25 | C26 | H27 | 176.8° | 180.0° |
| H28 | C28 | N29 | H29 | 0.1° | 0.1° |
| H30 | C32 | C33 | H31 | 0.4° | 0.1° |
| H31 | C33 | C34 | H32 | 0.1° | 0.0° |
| H32 | C34 | C35 | H33 | 0.4° | 0.5° |
