H5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.38Å | |
| C1 | C5 | sing | 1.46Å | 1.46Å | |
| C1 | C19 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | O7 | sing | 1.34Å | 1.36Å | |
| C3 | N4 | sing | 1.47Å | 1.47Å | |
| C3 | C10 | sing | 1.53Å | 1.59Å | |
| N4 | C5 | sing | 1.35Å | 1.35Å | |
| N4 | C8 | sing | 1.47Å | 1.45Å | |
| C5 | O6 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C9 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C22 | sing | 1.53Å | 1.53Å | |
| C10 | C23 | sing | 1.53Å | 1.53Å | |
| C10 | C24 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.37Å | 1.36Å | Aromatic |
| C14 | C31 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C19 | sing | 1.47Å | 1.49Å | |
| C16 | S17 | sing | 1.77Å | 1.77Å | |
| S17 | N18 | sing | 1.67Å | 1.69Å | |
| S17 | O20 | doub | 1.42Å | 1.42Å | |
| S17 | O21 | doub | 1.42Å | 1.43Å | |
| N18 | C19 | doub | 1.30Å | 1.30Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | F30 | sing | 1.35Å | 1.36Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | N32 | sing | 1.47Å | 1.45Å | |
| N32 | S33 | sing | 1.66Å | 1.65Å | |
| S33 | C34 | sing | 1.81Å | 1.82Å | |
| S33 | O35 | doub | 1.42Å | 1.40Å | |
| S33 | O36 | doub | 1.42Å | 1.40Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 108.3° | 109.3° |
| C2 | C1 | C19 | 125.3° | 125.4° |
| C1 | C2 | C3 | 108.0° | 106.5° |
| C1 | C2 | O7 | 127.1° | 126.7° |
| C5 | C1 | C19 | 126.4° | 125.4° |
| C1 | C5 | N4 | 109.8° | 110.2° |
| C1 | C5 | O6 | 126.2° | 124.9° |
| C1 | C19 | C15 | 126.5° | 120.5° |
| C1 | C19 | N18 | 116.0° | 120.5° |
| C3 | C2 | O7 | 124.9° | 126.8° |
| C2 | C3 | N4 | 104.4° | 106.0° |
| C2 | C3 | C10 | 107.1° | 110.1° |
| C2 | C3 | H3 | 114.8° | 110.1° |
| C2 | O7 | HO7 | 109.5° | 117.0° |
| N4 | C3 | C10 | 111.4° | 110.2° |
| C3 | N4 | C5 | 109.3° | 108.0° |
| C3 | N4 | C8 | 127.0° | 126.0° |
| N4 | C3 | H3 | 110.8° | 110.1° |
| C3 | C10 | C22 | 109.9° | 109.5° |
| C3 | C10 | C23 | 113.7° | 109.5° |
| C3 | C10 | C24 | 114.5° | 109.5° |
| C10 | C3 | H3 | 108.2° | 110.2° |
| C5 | N4 | C8 | 123.6° | 126.0° |
| N4 | C5 | O6 | 123.8° | 124.9° |
| N4 | C8 | C9 | 103.3° | 109.5° |
| N4 | C8 | H8 | 111.6° | 109.5° |
| N4 | C8 | H8A | 112.9° | 109.5° |
| C8 | C9 | C25 | 121.3° | 120.0° |
| C8 | C9 | C29 | 120.4° | 120.0° |
| C9 | C8 | H8 | 111.6° | 109.5° |
| C9 | C8 | H8A | 112.9° | 109.5° |
| C25 | C9 | C29 | 118.3° | 120.1° |
| C9 | C25 | C26 | 121.0° | 120.0° |
| C9 | C25 | H25 | 119.5° | 120.0° |
| C9 | C29 | C28 | 121.1° | 120.0° |
| C9 | C29 | H29 | 119.5° | 120.0° |
| C22 | C10 | C23 | 107.8° | 109.5° |
| C22 | C10 | C24 | 105.5° | 109.5° |
| C10 | C22 | H22 | 109.5° | 109.5° |
| C10 | C22 | H22A | 109.4° | 109.5° |
| C10 | C22 | H22B | 109.4° | 109.5° |
| C23 | C10 | C24 | 104.9° | 109.5° |
| C10 | C23 | H23 | 109.5° | 109.5° |
| C10 | C23 | H23A | 109.4° | 109.5° |
| C10 | C23 | H23B | 109.5° | 109.5° |
| C10 | C24 | H24 | 109.5° | 109.5° |
| C10 | C24 | H24A | 109.5° | 109.5° |
| C10 | C24 | H24B | 109.5° | 109.5° |
| C12 | C11 | C15 | 122.5° | 120.3° |
| C11 | C12 | C13 | 120.7° | 120.9° |
| C12 | C11 | H11 | 118.7° | 119.8° |
| C11 | C12 | H12 | 119.7° | 119.6° |
| C11 | C15 | C16 | 114.6° | 117.5° |
| C11 | C15 | C19 | 133.8° | 130.5° |
| C15 | C11 | H11 | 118.8° | 119.9° |
| C12 | C13 | C14 | 117.8° | 119.5° |
| C13 | C12 | H12 | 119.7° | 119.5° |
| C12 | C13 | H13 | 121.1° | 120.2° |
| C13 | C14 | C16 | 121.5° | 119.7° |
| C13 | C14 | C31 | 123.5° | 120.2° |
| C14 | C13 | H13 | 121.1° | 120.2° |
| C16 | C14 | C31 | 115.1° | 120.2° |
| C14 | C16 | C15 | 123.0° | 122.1° |
| C14 | C16 | S17 | 132.1° | 134.7° |
| C14 | C31 | N32 | 112.6° | 109.4° |
| C14 | C31 | H31 | 108.4° | 109.5° |
| C14 | C31 | H31A | 107.7° | 109.5° |
| C16 | C15 | C19 | 111.6° | 112.1° |
| C15 | C16 | S17 | 104.9° | 103.2° |
| C15 | C19 | N18 | 117.2° | 118.9° |
| C16 | S17 | N18 | 98.1° | 99.6° |
| C16 | S17 | O20 | 107.3° | 107.6° |
| C16 | S17 | O21 | 112.9° | 107.6° |
| N18 | S17 | O20 | 109.7° | 107.6° |
| N18 | S17 | O21 | 106.5° | 107.5° |
| S17 | N18 | C19 | 108.1° | 106.2° |
| O20 | S17 | O21 | 120.0° | 124.2° |
| C25 | C26 | C27 | 120.0° | 120.0° |
| C26 | C25 | H25 | 119.5° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C26 | C27 | C28 | 119.3° | 120.0° |
| C26 | C27 | F30 | 120.6° | 120.0° |
| C27 | C26 | H26 | 120.0° | 120.0° |
| C28 | C27 | F30 | 120.1° | 120.0° |
| C27 | C28 | C29 | 120.3° | 120.0° |
| C27 | C28 | H28 | 119.9° | 120.1° |
| C29 | C28 | H28 | 119.8° | 120.0° |
| C28 | C29 | H29 | 119.5° | 120.0° |
| C31 | N32 | S33 | 115.2° | 120.0° |
| N32 | C31 | H31 | 108.4° | 109.4° |
| N32 | C31 | H31A | 107.7° | 109.5° |
| C31 | N32 | HN32 | 107.6° | 120.0° |
| N32 | S33 | C34 | 104.6° | 104.4° |
| N32 | S33 | O35 | 101.9° | 104.3° |
| N32 | S33 | O36 | 107.7° | 104.3° |
| S33 | N32 | HN32 | 107.6° | 120.0° |
| C34 | S33 | O35 | 107.9° | 110.5° |
| C34 | S33 | O36 | 107.7° | 110.5° |
| S33 | C34 | H34 | 109.5° | 109.5° |
| S33 | C34 | H34A | 109.5° | 109.5° |
| S33 | C34 | H34B | 109.4° | 109.5° |
| O35 | S33 | O36 | 125.2° | 121.1° |
| H8 | C8 | H8A | 104.9° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.4° | 109.4° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.4° | 109.4° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H31 | C31 | H31A | 111.9° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | C19 | 178.2° | 179.7° |
| C1 | C2 | C3 | O7 | 177.9° | 179.9° |
| C1 | C2 | C3 | N4 | 5.4° | 0.0° |
| C1 | C2 | C3 | C10 | 112.8° | 119.1° |
| C2 | C1 | C5 | N4 | 0.0° | 0.0° |
| C2 | C1 | C5 | O6 | 174.8° | 180.0° |
| C2 | C1 | C19 | C15 | 158.6° | 104.3° |
| C2 | C1 | C19 | N18 | 28.8° | 75.5° |
| C1 | C2 | C3 | H3 | 126.9° | 119.2° |
| C1 | C2 | O7 | HO7 | 0.5° | 5.2° |
| C5 | C1 | C2 | C3 | 3.5° | 0.0° |
| C5 | C1 | C2 | O7 | 178.7° | 179.9° |
| C1 | C5 | N4 | C3 | 3.6° | 0.0° |
| C1 | C5 | N4 | O6 | 174.9° | 180.0° |
| C1 | C5 | N4 | C8 | 172.7° | 180.0° |
| C5 | C1 | C19 | C15 | 19.4° | 75.3° |
| C5 | C1 | C19 | N18 | 153.3° | 104.8° |
| C19 | C1 | C2 | C3 | 178.3° | 179.8° |
| C19 | C1 | C2 | O7 | 0.4° | 0.4° |
| C19 | C1 | C5 | N4 | 178.2° | 179.7° |
| C19 | C1 | C5 | O6 | 3.5° | 0.3° |
| C1 | C19 | C15 | C11 | 6.6° | 0.1° |
| C1 | C19 | C15 | C16 | 172.4° | 180.0° |
| C1 | C19 | C15 | N18 | 172.6° | 179.9° |
| C1 | C19 | N18 | S17 | 175.3° | 180.0° |
| C2 | C3 | N4 | C10 | 115.3° | 119.2° |
| C2 | C3 | N4 | H3 | 124.1° | 119.1° |
| C2 | C3 | C10 | H3 | 124.3° | 121.7° |
| C2 | C3 | N4 | C5 | 5.5° | 0.0° |
| C2 | C3 | N4 | C8 | 170.6° | 180.0° |
| C2 | C3 | C10 | C22 | 71.0° | 53.7° |
| C2 | C3 | C10 | C23 | 168.2° | 173.7° |
| C2 | C3 | C10 | C24 | 47.5° | 66.3° |
| C3 | C2 | O7 | HO7 | 178.0° | 175.0° |
| O7 | C2 | C3 | N4 | 176.6° | 179.9° |
| O7 | C2 | C3 | C10 | 65.1° | 60.8° |
| O7 | C2 | C3 | H3 | 55.1° | 61.0° |
| N4 | C3 | C10 | H3 | 122.1° | 121.7° |
| C3 | N4 | C5 | C8 | 176.3° | 180.0° |
| C3 | N4 | C5 | O6 | 178.5° | 180.0° |
| C3 | N4 | C8 | C9 | 75.2° | 96.5° |
| N4 | C3 | C10 | C22 | 175.4° | 170.3° |
| N4 | C3 | C10 | C23 | 54.6° | 69.7° |
| N4 | C3 | C10 | C24 | 66.1° | 50.3° |
| C3 | N4 | C8 | H8 | 164.8° | 143.5° |
| C3 | N4 | C8 | H8A | 47.0° | 23.4° |
| C10 | C3 | N4 | C5 | 109.8° | 119.1° |
| C10 | C3 | N4 | C8 | 74.1° | 60.9° |
| C3 | C10 | C22 | C23 | 124.4° | 120.0° |
| C3 | C10 | C22 | C24 | 123.9° | 120.0° |
| C3 | C10 | C23 | C24 | 125.9° | 120.0° |
| C3 | C10 | C22 | H22 | 63.6° | 60.0° |
| C3 | C10 | C22 | H22A | 56.4° | 180.0° |
| C3 | C10 | C22 | H22B | 176.4° | 60.0° |
| C3 | C10 | C23 | H23 | 107.5° | 85.2° |
| C3 | C10 | C23 | H23A | 12.5° | 154.8° |
| C3 | C10 | C23 | H23B | 132.5° | 34.8° |
| C3 | C10 | C24 | H24 | 6.8° | 60.1° |
| C3 | C10 | C24 | H24A | 126.7° | 180.0° |
| C3 | C10 | C24 | H24B | 113.3° | 60.0° |
| C5 | N4 | C8 | C9 | 100.4° | 83.5° |
| C5 | N4 | C3 | H3 | 129.6° | 119.1° |
| C5 | N4 | C8 | H8 | 19.6° | 36.5° |
| C5 | N4 | C8 | H8A | 137.4° | 156.5° |
| C8 | N4 | C5 | O6 | 2.2° | 0.0° |
| N4 | C8 | C9 | H8 | 120.0° | 120.1° |
| N4 | C8 | C9 | H8A | 122.2° | 120.0° |
| N4 | C8 | C9 | C25 | 51.1° | 90.1° |
| N4 | C8 | C9 | C29 | 127.3° | 90.3° |
| C8 | N4 | C3 | H3 | 46.5° | 60.9° |
| N4 | C8 | H8 | H8A | 122.5° | 120.0° |
| C8 | C9 | C25 | C29 | 178.4° | 179.7° |
| C8 | C9 | C25 | C26 | 180.0° | 180.0° |
| C8 | C9 | C29 | C28 | 179.8° | 179.8° |
| C9 | C8 | H8 | H8A | 122.5° | 120.0° |
| C8 | C9 | C25 | H25 | 0.0° | 0.1° |
| C8 | C9 | C29 | H29 | 0.2° | 0.1° |
| C9 | C25 | C26 | H25 | 180.0° | 179.9° |
| C9 | C25 | C26 | C27 | 0.9° | 0.0° |
| C25 | C9 | C29 | C28 | 1.3° | 0.5° |
| C25 | C9 | C8 | H8 | 68.9° | 30.0° |
| C25 | C9 | C8 | H8A | 173.3° | 150.0° |
| C9 | C25 | C26 | H26 | 179.1° | 180.0° |
| C25 | C9 | C29 | H29 | 178.6° | 179.7° |
| C29 | C9 | C25 | C26 | 1.6° | 0.3° |
| C9 | C29 | C28 | C27 | 0.5° | 0.5° |
| C9 | C29 | C28 | H29 | 180.0° | 179.7° |
| C29 | C9 | C8 | H8 | 112.7° | 149.7° |
| C29 | C9 | C8 | H8A | 5.1° | 29.7° |
| C29 | C9 | C25 | H25 | 178.4° | 179.8° |
| C9 | C29 | C28 | H28 | 179.5° | 179.7° |
| C22 | C10 | C23 | C24 | 112.1° | 120.0° |
| C22 | C10 | C3 | H3 | 53.4° | 68.0° |
| C10 | C22 | H22 | H22A | 120.0° | 120.0° |
| C10 | C22 | H22 | H22B | 120.0° | 120.0° |
| C10 | C22 | H22A | H22B | 120.0° | 120.0° |
| C22 | C10 | C23 | H23 | 14.5° | 154.8° |
| C22 | C10 | C23 | H23A | 134.5° | 34.8° |
| C22 | C10 | C23 | H23B | 105.5° | 85.2° |
| C22 | C10 | C24 | H24 | 114.2° | 59.9° |
| C22 | C10 | C24 | H24A | 5.8° | 60.0° |
| C22 | C10 | C24 | H24B | 125.8° | 180.0° |
| C23 | C10 | C3 | H3 | 67.5° | 52.0° |
| C23 | C10 | C22 | H22 | 172.0° | 60.0° |
| C23 | C10 | C22 | H22A | 68.0° | 60.0° |
| C23 | C10 | C22 | H22B | 52.0° | 180.0° |
| C10 | C23 | H23 | H23A | 120.0° | 120.0° |
| C10 | C23 | H23 | H23B | 120.0° | 120.0° |
| C10 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C10 | C24 | H24 | 132.1° | 180.0° |
| C23 | C10 | C24 | H24A | 107.9° | 60.0° |
| C23 | C10 | C24 | H24B | 12.1° | 60.0° |
| C24 | C10 | C3 | H3 | 171.9° | 172.0° |
| C24 | C10 | C22 | H22 | 60.3° | 180.0° |
| C24 | C10 | C22 | H22A | 179.7° | 60.0° |
| C24 | C10 | C22 | H22B | 59.7° | 60.0° |
| C24 | C10 | C23 | H23 | 126.6° | 34.8° |
| C24 | C10 | C23 | H23A | 113.4° | 85.2° |
| C24 | C10 | C23 | H23B | 6.6° | 154.8° |
| C10 | C24 | H24 | H24A | 120.0° | 120.0° |
| C10 | C24 | H24 | H24B | 120.0° | 120.1° |
| C10 | C24 | H24A | H24B | 120.0° | 120.0° |
| C12 | C11 | C15 | H11 | 180.0° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C12 | C11 | C15 | C16 | 0.9° | 0.1° |
| C12 | C11 | C15 | C19 | 178.1° | 179.9° |
| C11 | C12 | C13 | H13 | 179.5° | 180.0° |
| C15 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C15 | C16 | C14 | 1.0° | 0.1° |
| C11 | C15 | C16 | C19 | 179.2° | 179.9° |
| C11 | C15 | C16 | S17 | 178.8° | 180.0° |
| C11 | C15 | C19 | N18 | 179.1° | 180.0° |
| C15 | C11 | C12 | H12 | 179.3° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 0.6° | 0.0° |
| C12 | C13 | C14 | C31 | 179.9° | 180.0° |
| C13 | C12 | C11 | H11 | 179.3° | 179.7° |
| C13 | C14 | C16 | C31 | 179.5° | 179.9° |
| C13 | C14 | C16 | C15 | 0.9° | 0.1° |
| C13 | C14 | C16 | S17 | 178.8° | 180.0° |
| C13 | C14 | C31 | N32 | 15.1° | 100.0° |
| C14 | C13 | C12 | H12 | 179.5° | 179.9° |
| C13 | C14 | C31 | H31 | 104.9° | 19.9° |
| C13 | C14 | C31 | H31A | 133.7° | 140.0° |
| C14 | C16 | C15 | S17 | 179.7° | 179.9° |
| C14 | C16 | C15 | C19 | 178.2° | 180.0° |
| C14 | C16 | S17 | N18 | 177.5° | 179.9° |
| C14 | C16 | S17 | O20 | 63.9° | 68.0° |
| C14 | C16 | S17 | O21 | 70.6° | 68.0° |
| C16 | C14 | C31 | N32 | 165.4° | 79.9° |
| C16 | C14 | C13 | H13 | 179.4° | 179.9° |
| C16 | C14 | C31 | H31 | 74.6° | 160.1° |
| C16 | C14 | C31 | H31A | 46.8° | 40.1° |
| C31 | C14 | C16 | C15 | 179.6° | 180.0° |
| C31 | C14 | C16 | S17 | 0.7° | 0.1° |
| C14 | C31 | N32 | H31 | 120.0° | 120.0° |
| C14 | C31 | N32 | H31A | 118.6° | 120.0° |
| C14 | C31 | N32 | S33 | 161.8° | 165.0° |
| C31 | C14 | C13 | H13 | 0.1° | 0.0° |
| C14 | C31 | H31 | H31A | 118.7° | 120.0° |
| C14 | C31 | N32 | HN32 | 78.2° | 15.0° |
| C15 | C16 | S17 | N18 | 2.8° | 0.0° |
| C15 | C16 | S17 | O20 | 116.4° | 112.1° |
| C15 | C16 | S17 | O21 | 109.1° | 112.0° |
| C16 | C15 | C19 | N18 | 0.2° | 0.1° |
| C16 | C15 | C11 | H11 | 179.1° | 179.8° |
| C19 | C15 | C16 | S17 | 2.1° | 0.1° |
| C15 | C19 | N18 | S17 | 1.9° | 0.1° |
| C19 | C15 | C11 | H11 | 1.9° | 0.3° |
| C16 | S17 | N18 | O20 | 111.7° | 112.0° |
| C16 | S17 | N18 | O21 | 117.0° | 112.0° |
| C16 | S17 | O20 | O21 | 130.6° | 126.8° |
| C16 | S17 | N18 | C19 | 2.8° | 0.1° |
| N18 | S17 | O20 | O21 | 123.8° | 126.7° |
| O20 | S17 | N18 | C19 | 114.5° | 112.0° |
| O21 | S17 | N18 | C19 | 114.2° | 112.1° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C25 | C26 | C27 | F30 | 178.8° | 179.9° |
| C26 | C27 | C28 | F30 | 178.8° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.2° |
| C27 | C26 | C25 | H25 | 179.0° | 179.9° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C28 | C27 | C26 | H26 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.5° | 179.8° |
| F30 | C27 | C28 | C29 | 179.0° | 179.8° |
| F30 | C27 | C26 | H26 | 1.2° | 0.0° |
| F30 | C27 | C28 | H28 | 1.0° | 0.0° |
| C31 | N32 | S33 | HN32 | 120.0° | 180.0° |
| C31 | N32 | S33 | C34 | 86.1° | 65.0° |
| C31 | N32 | S33 | O35 | 161.6° | 179.0° |
| C31 | N32 | S33 | O36 | 28.3° | 51.1° |
| N32 | C31 | H31 | H31A | 118.7° | 120.0° |
| N32 | S33 | C34 | O35 | 108.0° | 111.6° |
| N32 | S33 | C34 | O36 | 114.4° | 111.6° |
| N32 | S33 | O35 | O36 | 121.9° | 116.8° |
| S33 | N32 | C31 | H31 | 41.7° | 45.0° |
| S33 | N32 | C31 | H31A | 79.6° | 75.0° |
| N32 | S33 | C34 | H34 | 149.8° | 60.0° |
| N32 | S33 | C34 | H34A | 90.2° | 180.0° |
| N32 | S33 | C34 | H34B | 29.8° | 60.0° |
| C34 | S33 | O35 | O36 | 128.3° | 131.5° |
| C34 | S33 | N32 | HN32 | 33.9° | 115.0° |
| S33 | C34 | H34 | H34A | 120.0° | 120.0° |
| S33 | C34 | H34 | H34B | 120.0° | 120.0° |
| S33 | C34 | H34A | H34B | 120.0° | 120.0° |
| O35 | S33 | N32 | HN32 | 78.4° | 1.0° |
| O35 | S33 | C34 | H34 | 41.8° | 51.6° |
| O35 | S33 | C34 | H34A | 161.8° | 68.4° |
| O35 | S33 | C34 | H34B | 78.2° | 171.6° |
| O36 | S33 | N32 | HN32 | 148.3° | 128.9° |
| O36 | S33 | C34 | H34 | 95.8° | 171.7° |
| O36 | S33 | C34 | H34A | 24.2° | 68.4° |
| O36 | S33 | C34 | H34B | 144.2° | 51.6° |
| H11 | C11 | C12 | H12 | 0.7° | 0.3° |
| H12 | C12 | C13 | H13 | 0.5° | 0.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H25 | C25 | C26 | H26 | 1.0° | 0.0° |
| H28 | C28 | C29 | H29 | 0.5° | 0.0° |
| H31 | C31 | N32 | HN32 | 161.8° | 135.0° |
| H31A | C31 | N32 | HN32 | 40.4° | 105.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
