XNR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | S20 | doub | 1.42Å | 1.44Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C27 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| F33 | C25 | sing | 1.35Å | 1.34Å | |
| C25 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | S20 | sing | 1.76Å | 1.76Å | |
| C21 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| S20 | N10 | sing | 1.66Å | 1.70Å | |
| S20 | O34 | doub | 1.42Å | 1.41Å | |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| N10 | C1 | sing | 1.40Å | 1.43Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C1 | C6 | doub | 1.39Å | 1.45Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.46Å | Aromatic |
| C17 | C15 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.54Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| N11 | C8 | sing | 1.47Å | 1.48Å | |
| N11 | C12 | sing | 1.47Å | 1.50Å | |
| N11 | C16 | sing | 1.47Å | 1.53Å | |
| C15 | N14 | sing | 1.47Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C13 | N14 | sing | 1.47Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | F9 | sing | 1.35Å | 1.33Å | |
| N14 | C18 | sing | 1.35Å | 1.41Å | |
| C32 | C28 | sing | 1.55Å | 1.55Å | |
| C32 | C31 | sing | 1.55Å | 1.55Å | |
| C18 | O19 | doub | 1.21Å | 1.19Å | |
| C18 | C28 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | sing | 1.54Å | 1.55Å | |
| C31 | C30 | sing | 1.54Å | 1.54Å | |
| C29 | C30 | sing | 1.54Å | 1.54Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N10 | H8 | sing | 0.97Å | 1.00Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | S20 | C21 | 106.1° | 106.4° |
| O22 | S20 | N10 | 106.1° | 106.4° |
| O22 | S20 | O34 | 122.2° | 123.1° |
| C27 | C26 | C25 | 119.5° | 120.0° |
| C26 | C27 | C21 | 119.7° | 120.0° |
| C27 | C26 | H22 | 120.3° | 120.0° |
| C26 | C27 | H23 | 120.2° | 120.0° |
| C26 | C25 | F33 | 120.1° | 120.0° |
| C26 | C25 | C24 | 120.5° | 119.9° |
| C25 | C26 | H22 | 120.3° | 120.0° |
| C27 | C21 | S20 | 120.0° | 120.0° |
| C27 | C21 | C23 | 120.3° | 120.1° |
| C21 | C27 | H23 | 120.1° | 120.0° |
| F33 | C25 | C24 | 119.4° | 120.0° |
| C25 | C24 | C23 | 120.0° | 120.0° |
| C25 | C24 | H21 | 120.0° | 120.0° |
| S20 | C21 | C23 | 119.7° | 120.0° |
| C21 | S20 | N10 | 107.7° | 107.2° |
| C21 | S20 | O34 | 107.1° | 106.4° |
| C21 | C23 | C24 | 120.0° | 120.0° |
| C21 | C23 | H20 | 120.0° | 120.0° |
| N10 | S20 | O34 | 106.9° | 106.3° |
| S20 | N10 | C1 | 123.7° | 120.0° |
| S20 | N10 | H8 | 105.8° | 120.0° |
| C24 | C23 | H20 | 120.0° | 119.9° |
| C23 | C24 | H21 | 120.0° | 120.0° |
| N10 | C1 | C6 | 121.0° | 120.0° |
| N10 | C1 | C2 | 119.4° | 120.0° |
| C1 | N10 | H8 | 105.8° | 120.0° |
| C7 | C6 | C1 | 120.1° | 120.0° |
| C7 | C6 | C5 | 121.1° | 120.0° |
| C6 | C7 | H3 | 109.5° | 109.5° |
| C6 | C7 | H4 | 109.5° | 109.4° |
| C6 | C7 | H5 | 109.4° | 109.5° |
| C6 | C1 | C2 | 119.0° | 119.9° |
| C1 | C6 | C5 | 118.8° | 119.9° |
| C1 | C2 | C3 | 120.5° | 119.9° |
| C1 | C2 | H1 | 119.8° | 120.1° |
| C6 | C5 | C8 | 122.7° | 119.9° |
| C6 | C5 | C4 | 119.5° | 120.1° |
| C17 | C15 | N14 | 111.1° | 109.7° |
| C17 | C15 | C16 | 111.5° | 109.6° |
| C17 | C15 | H14 | 108.3° | 109.8° |
| C15 | C17 | H17 | 109.5° | 109.4° |
| C15 | C17 | H18 | 109.5° | 109.4° |
| C15 | C17 | H19 | 109.5° | 109.4° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | F9 | 120.0° | 120.0° |
| C3 | C2 | H1 | 119.8° | 120.1° |
| C8 | C5 | C4 | 117.7° | 119.9° |
| C5 | C8 | N11 | 113.3° | 109.5° |
| C5 | C8 | H6 | 108.5° | 109.4° |
| C5 | C8 | H7 | 108.5° | 109.5° |
| C5 | C4 | C3 | 121.0° | 120.1° |
| C5 | C4 | H2 | 119.5° | 120.0° |
| C8 | N11 | C12 | 109.4° | 111.0° |
| C8 | N11 | C16 | 112.7° | 111.0° |
| N11 | C8 | H6 | 108.5° | 109.5° |
| N11 | C8 | H7 | 108.5° | 109.5° |
| C12 | N11 | C16 | 112.5° | 111.3° |
| N11 | C12 | C13 | 110.3° | 109.4° |
| N11 | C12 | H10 | 109.3° | 109.5° |
| N11 | C12 | H11 | 109.3° | 109.5° |
| N11 | C16 | C15 | 109.6° | 109.3° |
| N11 | C16 | H15 | 109.4° | 109.5° |
| N11 | C16 | H16 | 109.4° | 109.5° |
| N14 | C15 | C16 | 108.9° | 108.5° |
| C15 | N14 | C13 | 118.8° | 118.2° |
| C15 | N14 | C18 | 119.4° | 120.9° |
| N14 | C15 | H14 | 108.7° | 109.6° |
| C16 | C15 | H14 | 108.2° | 109.6° |
| C15 | C16 | H15 | 109.4° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| N14 | C13 | C12 | 109.4° | 108.5° |
| C13 | N14 | C18 | 121.8° | 120.9° |
| N14 | C13 | H12 | 109.5° | 109.6° |
| N14 | C13 | H13 | 109.5° | 109.6° |
| C13 | C12 | H10 | 109.3° | 109.5° |
| C13 | C12 | H11 | 109.3° | 109.5° |
| C12 | C13 | H12 | 109.5° | 109.7° |
| C12 | C13 | H13 | 109.5° | 109.6° |
| C4 | C3 | F9 | 118.9° | 120.0° |
| C3 | C4 | H2 | 119.5° | 119.9° |
| N14 | C18 | O19 | 118.7° | 120.0° |
| N14 | C18 | C28 | 122.3° | 120.0° |
| C28 | C32 | C31 | 104.3° | 102.8° |
| C32 | C28 | C18 | 111.3° | 110.5° |
| C32 | C28 | C29 | 106.6° | 104.2° |
| C32 | C28 | H24 | 109.5° | 110.6° |
| C28 | C32 | H31 | 110.7° | 110.8° |
| C28 | C32 | H32 | 110.7° | 110.8° |
| C32 | C31 | C30 | 102.9° | 104.2° |
| C32 | C31 | H29 | 111.1° | 110.5° |
| C32 | C31 | H30 | 111.1° | 110.6° |
| C31 | C32 | H31 | 110.7° | 110.8° |
| C31 | C32 | H32 | 110.7° | 110.7° |
| O19 | C18 | C28 | 119.0° | 120.0° |
| C18 | C28 | C29 | 110.2° | 110.5° |
| C18 | C28 | H24 | 109.7° | 110.4° |
| C28 | C29 | C30 | 105.9° | 106.6° |
| C29 | C28 | H24 | 109.4° | 110.5° |
| C28 | C29 | H25 | 110.4° | 110.0° |
| C28 | C29 | H26 | 110.4° | 110.0° |
| C31 | C30 | C29 | 103.5° | 106.6° |
| C31 | C30 | H27 | 111.0° | 110.1° |
| C31 | C30 | H28 | 110.9° | 110.1° |
| C30 | C31 | H29 | 111.1° | 110.5° |
| C30 | C31 | H30 | 111.1° | 110.5° |
| C30 | C29 | H25 | 110.4° | 110.0° |
| C30 | C29 | H26 | 110.4° | 110.1° |
| C29 | C30 | H27 | 110.9° | 110.0° |
| C29 | C30 | H28 | 111.0° | 110.0° |
| H3 | C7 | H4 | 109.5° | 109.4° |
| H3 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.8° |
| H15 | C16 | H16 | 109.4° | 109.5° |
| H17 | C17 | H18 | 109.4° | 109.6° |
| H17 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 110.0° |
| H27 | C30 | H28 | 109.4° | 110.0° |
| H29 | C31 | H30 | 109.5° | 110.4° |
| H31 | C32 | H32 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | S20 | C21 | C27 | 50.2° | 156.1° |
| O22 | S20 | C21 | N10 | 113.3° | 113.6° |
| O22 | S20 | C21 | O34 | 132.1° | 132.9° |
| O22 | S20 | C21 | C23 | 127.5° | 23.5° |
| O22 | S20 | N10 | O34 | 131.9° | 132.9° |
| O22 | S20 | N10 | C1 | 179.5° | 173.4° |
| O22 | S20 | N10 | H8 | 57.6° | 6.6° |
| C27 | C26 | C25 | H22 | 180.0° | 179.5° |
| C26 | C27 | C21 | H23 | 180.0° | 179.5° |
| C27 | C26 | C25 | F33 | 178.8° | 179.8° |
| C27 | C26 | C25 | C24 | 2.5° | 0.3° |
| C26 | C27 | C21 | S20 | 177.9° | 179.8° |
| C26 | C27 | C21 | C23 | 4.4° | 0.6° |
| C25 | C26 | C27 | C21 | 4.1° | 0.5° |
| C26 | C25 | F33 | C24 | 178.7° | 179.9° |
| C26 | C25 | C24 | C23 | 1.3° | 0.1° |
| C26 | C25 | C24 | H21 | 178.7° | 180.0° |
| C25 | C26 | C27 | H23 | 176.0° | 180.0° |
| C27 | C21 | S20 | C23 | 177.7° | 179.6° |
| C27 | C21 | S20 | N10 | 63.1° | 90.3° |
| C27 | C21 | S20 | O34 | 177.7° | 23.2° |
| C27 | C21 | C23 | C24 | 3.1° | 0.4° |
| C27 | C21 | C23 | H20 | 176.9° | 179.8° |
| C21 | C27 | C26 | H22 | 175.9° | 180.0° |
| F33 | C25 | C24 | C23 | 180.0° | 180.0° |
| F33 | C25 | C24 | H21 | 0.0° | 0.1° |
| F33 | C25 | C26 | H22 | 1.2° | 0.3° |
| C25 | C24 | C23 | C21 | 1.6° | 0.1° |
| C25 | C24 | C23 | H21 | 180.0° | 179.9° |
| C25 | C24 | C23 | H20 | 178.4° | 180.0° |
| C24 | C25 | C26 | H22 | 177.5° | 179.8° |
| C21 | S20 | N10 | O34 | 114.8° | 113.5° |
| S20 | C21 | C23 | C24 | 179.1° | 180.0° |
| C21 | S20 | N10 | C1 | 67.2° | 59.8° |
| C21 | S20 | N10 | H8 | 170.9° | 120.2° |
| S20 | C21 | C23 | H20 | 0.9° | 0.1° |
| S20 | C21 | C27 | H23 | 2.1° | 0.3° |
| C23 | C21 | S20 | N10 | 119.2° | 90.1° |
| C23 | C21 | S20 | O34 | 4.6° | 156.4° |
| C21 | C23 | C24 | H20 | 180.0° | 179.9° |
| C21 | C23 | C24 | H21 | 178.4° | 180.0° |
| C23 | C21 | C27 | H23 | 175.6° | 179.9° |
| S20 | N10 | C1 | H8 | 121.9° | 180.0° |
| S20 | N10 | C1 | C6 | 110.8° | 144.6° |
| S20 | N10 | C1 | C2 | 78.4° | 35.8° |
| O34 | S20 | N10 | C1 | 47.6° | 53.7° |
| O34 | S20 | N10 | H8 | 74.3° | 126.3° |
| N10 | C1 | C6 | C7 | 5.6° | 0.3° |
| N10 | C1 | C6 | C2 | 170.8° | 179.7° |
| N10 | C1 | C6 | C5 | 176.7° | 179.8° |
| N10 | C1 | C2 | C3 | 176.0° | 179.7° |
| N10 | C1 | C2 | H1 | 4.0° | 0.4° |
| C7 | C6 | C1 | C5 | 177.7° | 179.9° |
| C7 | C6 | C1 | C2 | 176.3° | 179.9° |
| C7 | C6 | C5 | C8 | 2.1° | 0.0° |
| C7 | C6 | C5 | C4 | 178.4° | 179.9° |
| C6 | C7 | H3 | H4 | 120.0° | 119.9° |
| C6 | C7 | H3 | H5 | 120.0° | 120.0° |
| C6 | C7 | H4 | H5 | 120.0° | 120.0° |
| C6 | C1 | C2 | C3 | 5.1° | 0.1° |
| C1 | C6 | C5 | C8 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 3.9° | 0.1° |
| C6 | C1 | C2 | H1 | 174.9° | 180.0° |
| C1 | C6 | C7 | H3 | 88.9° | 95.0° |
| C1 | C6 | C7 | H4 | 151.1° | 145.1° |
| C1 | C6 | C7 | H5 | 31.1° | 25.1° |
| C6 | C1 | N10 | H8 | 127.2° | 35.4° |
| C2 | C1 | C6 | C5 | 5.9° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 2.1° | 0.0° |
| C1 | C2 | C3 | F9 | 178.7° | 179.9° |
| C2 | C1 | N10 | H8 | 43.5° | 144.3° |
| C6 | C5 | C8 | C4 | 176.3° | 179.9° |
| C6 | C5 | C8 | N11 | 65.0° | 73.6° |
| C6 | C5 | C4 | C3 | 1.0° | 0.1° |
| C6 | C5 | C4 | H2 | 179.0° | 179.9° |
| C5 | C6 | C7 | H3 | 88.8° | 85.0° |
| C5 | C6 | C7 | H4 | 31.2° | 35.0° |
| C5 | C6 | C7 | H5 | 151.2° | 155.0° |
| C6 | C5 | C8 | H6 | 174.4° | 46.4° |
| C6 | C5 | C8 | H7 | 55.6° | 166.4° |
| C17 | C15 | C16 | N11 | 71.6° | 65.9° |
| C17 | C15 | N14 | C16 | 123.2° | 119.7° |
| C17 | C15 | N14 | H14 | 119.1° | 120.6° |
| C17 | C15 | C16 | H14 | 119.0° | 120.6° |
| C17 | C15 | N14 | C13 | 75.1° | 68.5° |
| C17 | C15 | N14 | C18 | 105.4° | 111.5° |
| C17 | C15 | C16 | H15 | 48.5° | 54.1° |
| C17 | C15 | C16 | H16 | 168.4° | 174.2° |
| C15 | C17 | H17 | H18 | 120.0° | 120.0° |
| C15 | C17 | H17 | H19 | 120.0° | 119.9° |
| C15 | C17 | H18 | H19 | 120.0° | 119.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | F9 | 179.2° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C5 | C8 | N11 | H6 | 120.6° | 120.0° |
| C5 | C8 | N11 | H7 | 120.6° | 120.0° |
| C5 | C8 | N11 | C12 | 178.7° | 71.6° |
| C5 | C8 | N11 | C16 | 55.2° | 164.1° |
| C8 | C5 | C4 | C3 | 177.4° | 180.0° |
| C8 | C5 | C4 | H2 | 2.6° | 0.0° |
| C5 | C8 | H6 | H7 | 118.2° | 119.9° |
| C4 | C5 | C8 | N11 | 118.7° | 106.3° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | F9 | 179.2° | 179.9° |
| C4 | C5 | C8 | H6 | 1.9° | 133.6° |
| C4 | C5 | C8 | H7 | 120.8° | 13.7° |
| C8 | N11 | C12 | C16 | 126.2° | 124.2° |
| C8 | N11 | C16 | C15 | 173.9° | 172.7° |
| C8 | N11 | C12 | C13 | 171.7° | 172.7° |
| N11 | C8 | H6 | H7 | 118.3° | 120.0° |
| C8 | N11 | C12 | H10 | 68.1° | 67.3° |
| C8 | N11 | C12 | H11 | 51.6° | 52.7° |
| C8 | N11 | C16 | H15 | 53.9° | 52.7° |
| C8 | N11 | C16 | H16 | 66.1° | 67.3° |
| C12 | N11 | C16 | C15 | 61.7° | 63.1° |
| N11 | C12 | C13 | N14 | 51.9° | 53.8° |
| N11 | C12 | C13 | H10 | 120.1° | 120.0° |
| N11 | C12 | C13 | H11 | 120.1° | 120.0° |
| C12 | N11 | C8 | H6 | 60.7° | 168.5° |
| C12 | N11 | C8 | H7 | 58.2° | 48.4° |
| N11 | C12 | H10 | H11 | 119.6° | 120.1° |
| N11 | C12 | C13 | H12 | 68.0° | 173.5° |
| N11 | C12 | C13 | H13 | 171.9° | 65.9° |
| C12 | N11 | C16 | H15 | 178.2° | 176.9° |
| C12 | N11 | C16 | H16 | 58.3° | 56.9° |
| N11 | C16 | C15 | N14 | 51.4° | 53.8° |
| N11 | C16 | C15 | H15 | 120.1° | 120.0° |
| N11 | C16 | C15 | H16 | 120.0° | 119.9° |
| C16 | N11 | C12 | C13 | 62.1° | 63.1° |
| C16 | N11 | C8 | H6 | 65.3° | 44.1° |
| C16 | N11 | C8 | H7 | 175.8° | 75.9° |
| C16 | N11 | C12 | H10 | 58.0° | 56.9° |
| C16 | N11 | C12 | H11 | 177.8° | 176.9° |
| N11 | C16 | C15 | H14 | 169.4° | 173.5° |
| N11 | C16 | H15 | H16 | 119.9° | 120.0° |
| N14 | C15 | C16 | H14 | 118.0° | 119.7° |
| C15 | N14 | C13 | C18 | 179.5° | 180.0° |
| C15 | N14 | C13 | C12 | 48.3° | 51.2° |
| C15 | N14 | C18 | O19 | 1.8° | 0.0° |
| C15 | N14 | C18 | C28 | 176.6° | 180.0° |
| C15 | N14 | C13 | H12 | 71.7° | 170.9° |
| C15 | N14 | C13 | H13 | 168.3° | 68.5° |
| N14 | C15 | C16 | H15 | 171.5° | 173.8° |
| N14 | C15 | C16 | H16 | 68.6° | 66.1° |
| N14 | C15 | C17 | H17 | 180.0° | 60.0° |
| N14 | C15 | C17 | H18 | 60.0° | 180.0° |
| N14 | C15 | C17 | H19 | 60.0° | 60.0° |
| C16 | C15 | N14 | C13 | 48.1° | 51.2° |
| C16 | C15 | N14 | C18 | 131.4° | 128.8° |
| C15 | C16 | H15 | H16 | 119.9° | 120.1° |
| C16 | C15 | C17 | H17 | 58.3° | 59.1° |
| C16 | C15 | C17 | H18 | 178.3° | 61.0° |
| C16 | C15 | C17 | H19 | 61.7° | 179.0° |
| N14 | C13 | C12 | H12 | 120.0° | 119.7° |
| N14 | C13 | C12 | H13 | 120.0° | 119.7° |
| C13 | N14 | C18 | O19 | 178.7° | 180.0° |
| C13 | N14 | C18 | C28 | 2.9° | 0.0° |
| N14 | C13 | C12 | H10 | 68.2° | 66.2° |
| N14 | C13 | C12 | H11 | 172.0° | 173.8° |
| N14 | C13 | H12 | H13 | 120.1° | 120.5° |
| C13 | N14 | C15 | H14 | 165.8° | 170.9° |
| C12 | C13 | N14 | C18 | 131.2° | 128.8° |
| C13 | C12 | H10 | H11 | 119.6° | 120.0° |
| C12 | C13 | H12 | H13 | 120.0° | 120.5° |
| C4 | C3 | C2 | H1 | 177.9° | 179.9° |
| F9 | C3 | C2 | H1 | 1.3° | 0.0° |
| F9 | C3 | C4 | H2 | 0.8° | 0.1° |
| N14 | C18 | C28 | C32 | 122.0° | 65.3° |
| N14 | C18 | O19 | C28 | 178.4° | 180.0° |
| N14 | C18 | C28 | C29 | 120.0° | 180.0° |
| C18 | N14 | C13 | H12 | 108.8° | 9.1° |
| C18 | N14 | C13 | H13 | 11.3° | 111.5° |
| C18 | N14 | C15 | H14 | 13.8° | 9.1° |
| N14 | C18 | C28 | H24 | 0.6° | 57.4° |
| C28 | C32 | C31 | H31 | 119.2° | 118.4° |
| C28 | C32 | C31 | H32 | 119.2° | 118.3° |
| C32 | C28 | C18 | O19 | 59.7° | 114.8° |
| C32 | C28 | C18 | C29 | 118.0° | 114.8° |
| C32 | C28 | C18 | H24 | 121.4° | 122.7° |
| C32 | C28 | C29 | H24 | 118.3° | 118.9° |
| C28 | C32 | C31 | C30 | 36.5° | 38.0° |
| C32 | C28 | C29 | C30 | 7.3° | 23.6° |
| C32 | C28 | C29 | H25 | 126.7° | 95.6° |
| C32 | C28 | C29 | H26 | 112.2° | 142.9° |
| C28 | C32 | C31 | H29 | 82.5° | 156.6° |
| C28 | C32 | C31 | H30 | 155.4° | 80.8° |
| C28 | C32 | H31 | H32 | 122.4° | 123.3° |
| C31 | C32 | C28 | C18 | 138.3° | 156.6° |
| C31 | C32 | C28 | C29 | 18.0° | 38.0° |
| C32 | C31 | C30 | H29 | 119.0° | 118.7° |
| C32 | C31 | C30 | H30 | 118.9° | 118.8° |
| C32 | C31 | C30 | C29 | 41.1° | 23.6° |
| C31 | C32 | C28 | H24 | 100.2° | 80.8° |
| C32 | C31 | C30 | H27 | 160.1° | 95.7° |
| C32 | C31 | C30 | H28 | 78.0° | 142.9° |
| C32 | C31 | H29 | H30 | 123.0° | 122.7° |
| C31 | C32 | H31 | H32 | 122.4° | 123.3° |
| O19 | C18 | C28 | C29 | 58.3° | 0.0° |
| O19 | C18 | C28 | H24 | 178.9° | 122.5° |
| C18 | C28 | C29 | H24 | 120.7° | 122.5° |
| C18 | C28 | C29 | C30 | 113.7° | 142.3° |
| C18 | C28 | C29 | H25 | 5.8° | 23.0° |
| C18 | C28 | C29 | H26 | 126.9° | 98.4° |
| C18 | C28 | C32 | H31 | 102.6° | 85.1° |
| C18 | C28 | C32 | H32 | 19.1° | 38.3° |
| C28 | C29 | C30 | C31 | 29.9° | 0.0° |
| C28 | C29 | C30 | H25 | 119.4° | 119.3° |
| C28 | C29 | C30 | H26 | 119.4° | 119.3° |
| C28 | C29 | H25 | H26 | 121.7° | 121.4° |
| C28 | C29 | C30 | H27 | 149.0° | 119.3° |
| C28 | C29 | C30 | H28 | 89.2° | 119.3° |
| C29 | C28 | C32 | H31 | 137.2° | 156.3° |
| C29 | C28 | C32 | H32 | 101.1° | 80.4° |
| C31 | C30 | C29 | H27 | 119.1° | 119.3° |
| C31 | C30 | C29 | H28 | 119.1° | 119.4° |
| C31 | C30 | C29 | H25 | 149.3° | 119.3° |
| C31 | C30 | C29 | H26 | 89.5° | 119.3° |
| C31 | C30 | H27 | H28 | 122.8° | 121.5° |
| C30 | C31 | H29 | H30 | 123.0° | 122.5° |
| C30 | C31 | C32 | H31 | 155.6° | 156.3° |
| C30 | C31 | C32 | H32 | 82.7° | 80.4° |
| C30 | C29 | C28 | H24 | 125.6° | 95.2° |
| C30 | C29 | H25 | H26 | 121.7° | 121.5° |
| C29 | C30 | H27 | H28 | 122.8° | 121.3° |
| C29 | C30 | C31 | H29 | 77.9° | 142.3° |
| C29 | C30 | C31 | H30 | 160.0° | 95.2° |
| H3 | C7 | H4 | H5 | 120.0° | 120.0° |
| H10 | C12 | C13 | H12 | 171.8° | 53.5° |
| H10 | C12 | C13 | H13 | 51.8° | 174.1° |
| H11 | C12 | C13 | H12 | 52.1° | 66.5° |
| H11 | C12 | C13 | H13 | 68.0° | 54.1° |
| H14 | C15 | C16 | H15 | 70.6° | 66.5° |
| H14 | C15 | C16 | H16 | 49.3° | 53.6° |
| H14 | C15 | C17 | H17 | 60.7° | 179.5° |
| H14 | C15 | C17 | H18 | 59.3° | 59.5° |
| H14 | C15 | C17 | H19 | 179.3° | 60.5° |
| H17 | C17 | H18 | H19 | 120.0° | 120.1° |
| H20 | C23 | C24 | H21 | 1.6° | 0.1° |
| H22 | C26 | C27 | H23 | 4.0° | 0.5° |
| H24 | C28 | C29 | H25 | 115.0° | 145.5° |
| H24 | C28 | C29 | H26 | 6.1° | 24.1° |
| H24 | C28 | C32 | H31 | 18.9° | 37.5° |
| H24 | C28 | C32 | H32 | 140.6° | 160.8° |
| H25 | C29 | C30 | H27 | 91.6° | 0.1° |
| H25 | C29 | C30 | H28 | 30.3° | 121.4° |
| H26 | C29 | C30 | H27 | 29.5° | 121.4° |
| H26 | C29 | C30 | H28 | 151.4° | 0.1° |
| H27 | C30 | C31 | H29 | 41.1° | 23.1° |
| H27 | C30 | C31 | H30 | 81.0° | 145.5° |
| H28 | C30 | C31 | H29 | 163.0° | 98.4° |
| H28 | C30 | C31 | H30 | 40.9° | 24.1° |
| H29 | C31 | C32 | H31 | 36.7° | 85.0° |
| H29 | C31 | C32 | H32 | 158.3° | 38.3° |
| H30 | C31 | C32 | H31 | 85.4° | 37.6° |
| H30 | C31 | C32 | H32 | 36.2° | 160.9° |
