3UI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C2 | sing | 1.47Å | 1.48Å | |
| N3 | C5 | sing | 1.47Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | N7 | sing | 1.47Å | 1.48Å | |
| C6 | N7 | sing | 1.47Å | 1.46Å | |
| F15 | C13 | sing | 1.40Å | 1.23Å | |
| N7 | C8 | sing | 1.40Å | 1.38Å | |
| C8 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.35Å | Aromatic |
| C13 | F16 | sing | 1.40Å | 1.33Å | |
| C13 | F14 | sing | 1.40Å | 1.30Å | |
| C13 | O12 | sing | 1.43Å | 1.39Å | |
| C9 | C18 | doub | 1.39Å | 1.34Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.38Å | |
| C11 | C17 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.53Å | |
| C19 | N21 | sing | 1.35Å | 1.38Å | |
| C19 | O20 | doub | 1.22Å | 1.23Å | |
| N21 | C23 | sing | 1.47Å | 1.50Å | |
| O32 | S31 | doub | 1.42Å | 1.37Å | |
| C23 | C24 | sing | 1.51Å | 1.46Å | |
| C34 | S31 | sing | 1.81Å | 1.85Å | |
| C34 | C35 | sing | 1.53Å | 1.48Å | |
| S31 | O33 | doub | 1.42Å | 1.45Å | |
| S31 | C30 | sing | 1.76Å | 1.81Å | |
| C24 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.36Å | Aromatic |
| C26 | CL2 | sing | 1.74Å | 1.69Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| N3 | H7 | sing | 1.01Å | 1.00Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| N21 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N3 | C5 | 105.1° | 110.9° |
| N3 | C2 | C1 | 115.7° | 109.3° |
| C2 | N3 | H7 | 110.6° | 111.0° |
| N3 | C2 | H12 | 107.9° | 109.4° |
| N3 | C2 | H13 | 107.9° | 109.5° |
| N3 | C5 | C6 | 110.4° | 109.3° |
| N3 | C5 | H1 | 109.2° | 109.5° |
| N3 | C5 | H2 | 109.2° | 109.5° |
| C5 | N3 | H7 | 110.5° | 111.0° |
| C2 | C1 | N7 | 103.1° | 109.4° |
| C2 | C1 | H9 | 111.1° | 109.5° |
| C2 | C1 | H10 | 111.0° | 109.5° |
| C1 | C2 | H12 | 107.9° | 109.5° |
| C1 | C2 | H13 | 107.9° | 109.5° |
| C5 | C6 | N7 | 109.8° | 109.4° |
| C6 | C5 | H1 | 109.3° | 109.5° |
| C6 | C5 | H2 | 109.3° | 109.5° |
| C5 | C6 | H3 | 109.4° | 109.5° |
| C5 | C6 | H4 | 109.4° | 109.5° |
| C1 | N7 | C6 | 113.4° | 110.9° |
| C1 | N7 | C8 | 121.5° | 111.0° |
| N7 | C1 | H9 | 111.0° | 109.5° |
| N7 | C1 | H10 | 111.0° | 109.5° |
| C6 | N7 | C8 | 124.2° | 111.0° |
| N7 | C6 | H3 | 109.4° | 109.5° |
| N7 | C6 | H4 | 109.4° | 109.5° |
| F15 | C13 | F16 | 102.8° | 109.4° |
| F15 | C13 | F14 | 107.8° | 109.5° |
| F15 | C13 | O12 | 109.5° | 109.5° |
| N7 | C8 | C10 | 120.1° | 120.0° |
| N7 | C8 | C9 | 122.3° | 119.9° |
| C10 | C8 | C9 | 117.5° | 120.1° |
| C8 | C10 | C11 | 118.9° | 120.1° |
| C8 | C10 | H6 | 120.5° | 119.9° |
| C8 | C9 | C18 | 122.5° | 119.9° |
| C8 | C9 | H5 | 118.8° | 120.1° |
| C10 | C11 | O12 | 122.1° | 119.9° |
| C10 | C11 | C17 | 126.2° | 120.1° |
| C11 | C10 | H6 | 120.6° | 119.9° |
| F16 | C13 | F14 | 113.1° | 109.5° |
| F16 | C13 | O12 | 112.0° | 109.4° |
| F14 | C13 | O12 | 111.1° | 109.5° |
| C13 | O12 | C11 | 118.5° | 117.0° |
| C9 | C18 | C17 | 122.0° | 119.8° |
| C9 | C18 | C19 | 120.1° | 120.1° |
| C18 | C9 | H5 | 118.8° | 120.0° |
| O12 | C11 | C17 | 111.6° | 120.0° |
| C11 | C17 | C18 | 112.8° | 119.9° |
| C11 | C17 | H11 | 123.6° | 120.0° |
| C17 | C18 | C19 | 117.4° | 120.0° |
| C18 | C17 | H11 | 123.6° | 120.1° |
| C18 | C19 | N21 | 114.5° | 120.0° |
| C18 | C19 | O20 | 124.5° | 120.0° |
| N21 | C19 | O20 | 120.6° | 120.0° |
| C19 | N21 | C23 | 119.9° | 120.0° |
| C19 | N21 | H24 | 120.1° | 120.0° |
| N21 | C23 | C24 | 130.5° | 109.5° |
| N21 | C23 | H14 | 104.0° | 109.5° |
| N21 | C23 | H15 | 104.0° | 109.5° |
| C23 | N21 | H24 | 120.0° | 120.0° |
| O32 | S31 | C34 | 105.5° | 110.6° |
| O32 | S31 | O33 | 125.3° | 121.0° |
| O32 | S31 | C30 | 112.4° | 104.3° |
| C23 | C24 | C30 | 124.1° | 120.0° |
| C23 | C24 | C25 | 113.3° | 120.0° |
| C24 | C23 | H14 | 104.0° | 109.4° |
| C24 | C23 | H15 | 104.0° | 109.4° |
| S31 | C34 | C35 | 112.3° | 109.5° |
| C34 | S31 | O33 | 106.1° | 110.5° |
| C34 | S31 | C30 | 105.7° | 104.4° |
| S31 | C34 | H19 | 108.8° | 109.5° |
| S31 | C34 | H20 | 108.8° | 109.5° |
| C35 | C34 | H19 | 108.8° | 109.4° |
| C35 | C34 | H20 | 108.8° | 109.5° |
| C34 | C35 | H21 | 109.5° | 109.5° |
| C34 | C35 | H22 | 109.5° | 109.4° |
| C34 | C35 | H23 | 109.5° | 109.5° |
| O33 | S31 | C30 | 100.3° | 104.3° |
| S31 | C30 | C24 | 118.7° | 120.0° |
| S31 | C30 | C29 | 124.8° | 120.0° |
| C30 | C24 | C25 | 122.1° | 120.0° |
| C24 | C30 | C29 | 115.8° | 120.0° |
| C24 | C25 | C26 | 116.8° | 120.0° |
| C24 | C25 | H16 | 121.6° | 120.1° |
| C30 | C29 | C28 | 122.5° | 120.1° |
| C30 | C29 | H18 | 118.7° | 120.0° |
| C25 | C26 | C28 | 124.4° | 120.0° |
| C25 | C26 | CL2 | 115.7° | 120.0° |
| C26 | C25 | H16 | 121.6° | 120.0° |
| C29 | C28 | C26 | 118.0° | 119.9° |
| C29 | C28 | H17 | 121.0° | 120.1° |
| C28 | C29 | H18 | 118.8° | 120.0° |
| C28 | C26 | CL2 | 119.4° | 120.0° |
| C26 | C28 | H17 | 121.0° | 120.0° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.6° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H19 | C34 | H20 | 109.5° | 109.5° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H21 | C35 | H23 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N3 | C5 | H7 | 119.3° | 123.9° |
| N3 | C2 | C1 | H12 | 120.9° | 119.9° |
| N3 | C2 | C1 | H13 | 120.9° | 120.0° |
| C2 | N3 | C5 | C6 | 58.2° | 59.3° |
| N3 | C2 | C1 | N7 | 60.0° | 58.3° |
| C2 | N3 | C5 | H1 | 62.0° | 60.7° |
| C2 | N3 | C5 | H2 | 178.3° | 179.3° |
| N3 | C2 | C1 | H9 | 59.0° | 178.3° |
| N3 | C2 | C1 | H10 | 178.9° | 61.6° |
| N3 | C2 | H12 | H13 | 117.2° | 120.1° |
| C5 | N3 | C2 | C1 | 61.4° | 59.3° |
| N3 | C5 | C6 | H1 | 120.2° | 120.0° |
| N3 | C5 | C6 | H2 | 120.1° | 120.0° |
| N3 | C5 | C6 | N7 | 60.4° | 58.4° |
| N3 | C5 | H1 | H2 | 119.5° | 120.1° |
| N3 | C5 | C6 | H3 | 179.6° | 61.6° |
| N3 | C5 | C6 | H4 | 59.7° | 178.3° |
| C5 | N3 | C2 | H12 | 177.7° | 60.6° |
| C5 | N3 | C2 | H13 | 59.5° | 179.3° |
| C2 | C1 | N7 | H9 | 119.0° | 120.0° |
| C2 | C1 | N7 | H10 | 119.0° | 120.0° |
| C2 | C1 | N7 | C6 | 57.8° | 59.3° |
| C2 | C1 | N7 | C8 | 111.2° | 176.8° |
| C1 | C2 | N3 | H7 | 179.3° | 64.6° |
| C2 | C1 | H9 | H10 | 123.0° | 120.0° |
| C1 | C2 | H12 | H13 | 117.2° | 120.1° |
| C5 | C6 | N7 | C1 | 61.8° | 59.3° |
| C5 | C6 | N7 | H3 | 120.0° | 120.0° |
| C5 | C6 | N7 | H4 | 120.1° | 119.9° |
| C5 | C6 | N7 | C8 | 106.9° | 176.8° |
| C6 | C5 | H1 | H2 | 119.6° | 120.1° |
| C5 | C6 | H3 | H4 | 119.9° | 120.0° |
| C6 | C5 | N3 | H7 | 177.5° | 64.6° |
| C1 | N7 | C6 | C8 | 168.6° | 123.9° |
| C1 | N7 | C8 | C10 | 0.1° | 123.8° |
| C1 | N7 | C8 | C9 | 178.4° | 56.2° |
| C1 | N7 | C6 | H3 | 178.2° | 60.6° |
| C1 | N7 | C6 | H4 | 58.3° | 179.3° |
| N7 | C1 | H9 | H10 | 122.9° | 120.0° |
| N7 | C1 | C2 | H12 | 179.1° | 61.5° |
| N7 | C1 | C2 | H13 | 60.9° | 178.3° |
| C6 | N7 | C8 | C10 | 167.6° | 0.0° |
| C6 | N7 | C8 | C9 | 10.6° | 180.0° |
| N7 | C6 | C5 | H1 | 59.8° | 61.6° |
| N7 | C6 | C5 | H2 | 179.5° | 178.4° |
| N7 | C6 | H3 | H4 | 119.8° | 120.1° |
| C6 | N7 | C1 | H9 | 61.2° | 179.3° |
| C6 | N7 | C1 | H10 | 176.7° | 60.7° |
| F15 | C13 | F16 | F14 | 116.0° | 120.0° |
| F15 | C13 | F16 | O12 | 117.5° | 120.0° |
| F15 | C13 | F14 | O12 | 120.0° | 120.0° |
| F15 | C13 | O12 | C11 | 53.4° | 180.0° |
| N7 | C8 | C10 | C9 | 178.3° | 180.0° |
| N7 | C8 | C10 | C11 | 178.4° | 179.9° |
| N7 | C8 | C9 | C18 | 177.9° | 179.7° |
| C8 | N7 | C6 | H3 | 13.2° | 63.3° |
| C8 | N7 | C6 | H4 | 133.1° | 56.8° |
| N7 | C8 | C9 | H5 | 2.1° | 0.0° |
| N7 | C8 | C10 | H6 | 1.6° | 0.0° |
| C8 | N7 | C1 | H9 | 129.8° | 56.8° |
| C8 | N7 | C1 | H10 | 7.8° | 63.2° |
| C8 | C10 | C11 | H6 | 180.0° | 179.9° |
| C10 | C8 | C9 | C18 | 3.8° | 0.3° |
| C8 | C10 | C11 | O12 | 173.5° | 179.9° |
| C8 | C10 | C11 | C17 | 1.8° | 0.2° |
| C10 | C8 | C9 | H5 | 176.2° | 179.9° |
| C9 | C8 | C10 | C11 | 3.3° | 0.1° |
| C8 | C9 | C18 | H5 | 180.0° | 179.7° |
| C8 | C9 | C18 | C17 | 2.6° | 0.3° |
| C8 | C9 | C18 | C19 | 174.2° | 180.0° |
| C9 | C8 | C10 | H6 | 176.7° | 180.0° |
| C10 | C11 | O12 | C13 | 90.6° | 179.8° |
| C10 | C11 | O12 | C17 | 175.9° | 179.7° |
| C10 | C11 | C17 | C18 | 0.4° | 0.2° |
| C10 | C11 | C17 | H11 | 179.6° | 179.7° |
| F16 | C13 | F14 | O12 | 127.0° | 120.0° |
| F16 | C13 | O12 | C11 | 60.1° | 60.1° |
| F14 | C13 | O12 | C11 | 172.3° | 60.0° |
| C13 | O12 | C11 | C17 | 93.5° | 0.1° |
| C9 | C18 | C17 | C11 | 0.8° | 0.0° |
| C9 | C18 | C17 | C19 | 171.8° | 179.7° |
| C9 | C18 | C19 | N21 | 23.5° | 180.0° |
| C9 | C18 | C19 | O20 | 150.0° | 0.0° |
| C9 | C18 | C17 | H11 | 179.2° | 180.0° |
| O12 | C11 | C17 | C18 | 175.3° | 179.9° |
| O12 | C11 | C10 | H6 | 6.5° | 0.0° |
| O12 | C11 | C17 | H11 | 4.7° | 0.0° |
| C11 | C17 | C18 | H11 | 180.0° | 180.0° |
| C11 | C17 | C18 | C19 | 172.6° | 179.7° |
| C17 | C11 | C10 | H6 | 178.2° | 179.7° |
| C17 | C18 | C19 | N21 | 164.5° | 0.2° |
| C17 | C18 | C19 | O20 | 22.0° | 179.7° |
| C17 | C18 | C9 | H5 | 177.4° | 180.0° |
| C18 | C19 | N21 | O20 | 173.8° | 180.0° |
| C18 | C19 | N21 | C23 | 179.8° | 180.0° |
| C19 | C18 | C9 | H5 | 5.8° | 0.3° |
| C19 | C18 | C17 | H11 | 7.4° | 0.3° |
| C18 | C19 | N21 | H24 | 0.1° | 0.1° |
| C19 | N21 | C23 | H24 | 180.0° | 179.9° |
| C19 | N21 | C23 | C24 | 71.2° | 175.2° |
| C19 | N21 | C23 | H14 | 51.4° | 64.8° |
| C19 | N21 | C23 | H15 | 166.0° | 55.2° |
| O20 | C19 | N21 | C23 | 6.1° | 0.1° |
| O20 | C19 | N21 | H24 | 173.9° | 180.0° |
| N21 | C23 | C24 | H14 | 122.7° | 120.0° |
| N21 | C23 | C24 | H15 | 122.7° | 120.0° |
| N21 | C23 | C24 | C30 | 153.2° | 81.6° |
| N21 | C23 | C24 | C25 | 34.3° | 98.0° |
| N21 | C23 | H14 | H15 | 110.6° | 120.1° |
| O32 | S31 | C34 | O33 | 134.8° | 136.7° |
| O32 | S31 | C34 | C30 | 119.3° | 111.6° |
| O32 | S31 | C34 | C35 | 179.5° | 62.9° |
| O32 | S31 | O33 | C30 | 127.1° | 116.8° |
| O32 | S31 | C30 | C24 | 44.8° | 175.2° |
| O32 | S31 | C30 | C29 | 145.2° | 5.0° |
| O32 | S31 | C34 | H19 | 59.1° | 57.1° |
| O32 | S31 | C34 | H20 | 60.0° | 177.1° |
| C23 | C24 | C30 | S31 | 12.5° | 0.0° |
| C23 | C24 | C30 | C25 | 171.9° | 179.7° |
| C23 | C24 | C30 | C29 | 176.6° | 179.8° |
| C23 | C24 | C25 | C26 | 172.5° | 180.0° |
| C24 | C23 | H14 | H15 | 110.6° | 119.9° |
| C23 | C24 | C25 | H16 | 7.5° | 0.1° |
| C24 | C23 | N21 | H24 | 108.8° | 4.9° |
| S31 | C34 | C35 | H19 | 120.4° | 120.0° |
| S31 | C34 | C35 | H20 | 120.4° | 120.0° |
| C34 | S31 | O33 | C30 | 109.8° | 111.7° |
| C34 | S31 | C30 | C24 | 69.9° | 68.7° |
| C34 | S31 | C30 | C29 | 100.2° | 111.1° |
| S31 | C34 | H19 | H20 | 118.7° | 120.0° |
| S31 | C34 | C35 | H21 | 180.0° | 60.0° |
| S31 | C34 | C35 | H22 | 60.0° | 60.0° |
| S31 | C34 | C35 | H23 | 60.0° | 180.0° |
| C35 | C34 | S31 | O33 | 45.7° | 73.9° |
| C35 | C34 | S31 | C30 | 60.2° | 174.5° |
| C35 | C34 | H19 | H20 | 118.8° | 120.0° |
| C34 | C35 | H21 | H22 | 120.0° | 119.9° |
| C34 | C35 | H21 | H23 | 120.0° | 120.1° |
| C34 | C35 | H22 | H23 | 120.0° | 120.0° |
| O33 | S31 | C30 | C24 | 180.0° | 47.4° |
| O33 | S31 | C30 | C29 | 9.9° | 132.8° |
| O33 | S31 | C34 | H19 | 166.1° | 166.2° |
| O33 | S31 | C34 | H20 | 74.8° | 46.2° |
| S31 | C30 | C24 | C29 | 171.0° | 179.8° |
| S31 | C30 | C24 | C25 | 175.6° | 179.7° |
| S31 | C30 | C29 | C28 | 174.9° | 179.7° |
| S31 | C30 | C29 | H18 | 5.1° | 0.1° |
| C30 | S31 | C34 | H19 | 60.2° | 54.6° |
| C30 | S31 | C34 | H20 | 179.3° | 65.5° |
| C30 | C24 | C25 | C26 | 0.2° | 0.3° |
| C24 | C30 | C29 | C28 | 4.6° | 0.5° |
| C30 | C24 | C23 | H14 | 30.5° | 158.3° |
| C30 | C24 | C23 | H15 | 84.1° | 38.4° |
| C30 | C24 | C25 | H16 | 179.8° | 179.8° |
| C24 | C30 | C29 | H18 | 175.4° | 179.7° |
| C25 | C24 | C30 | C29 | 4.7° | 0.5° |
| C24 | C25 | C26 | H16 | 180.0° | 179.9° |
| C24 | C25 | C26 | C28 | 5.8° | 0.1° |
| C24 | C25 | C26 | CL2 | 178.2° | 179.9° |
| C25 | C24 | C23 | H14 | 157.0° | 22.0° |
| C25 | C24 | C23 | H15 | 88.4° | 141.9° |
| C30 | C29 | C28 | H18 | 180.0° | 179.8° |
| C30 | C29 | C28 | C26 | 0.4° | 0.2° |
| C30 | C29 | C28 | H17 | 179.6° | 179.8° |
| C25 | C26 | C28 | C29 | 6.0° | 0.0° |
| C25 | C26 | C28 | CL2 | 172.1° | 180.0° |
| C25 | C26 | C28 | H17 | 174.0° | 180.0° |
| C29 | C28 | C26 | H17 | 180.0° | 180.0° |
| C29 | C28 | C26 | CL2 | 178.0° | 180.0° |
| C28 | C26 | C25 | H16 | 174.2° | 180.0° |
| C26 | C28 | C29 | H18 | 179.6° | 180.0° |
| CL2 | C26 | C25 | H16 | 1.8° | 0.0° |
| CL2 | C26 | C28 | H17 | 1.9° | 0.0° |
| H1 | C5 | C6 | H3 | 60.3° | 178.5° |
| H1 | C5 | C6 | H4 | 179.8° | 58.4° |
| H1 | C5 | N3 | H7 | 57.3° | 175.5° |
| H2 | C5 | C6 | H3 | 59.5° | 58.4° |
| H2 | C5 | C6 | H4 | 60.5° | 61.7° |
| H2 | C5 | N3 | H7 | 62.3° | 55.4° |
| H7 | N3 | C2 | H12 | 58.4° | 175.5° |
| H7 | N3 | C2 | H13 | 59.9° | 55.4° |
| H9 | C1 | C2 | H12 | 61.9° | 58.5° |
| H9 | C1 | C2 | H13 | 179.8° | 61.7° |
| H10 | C1 | C2 | H12 | 60.2° | 178.5° |
| H10 | C1 | C2 | H13 | 58.1° | 58.4° |
| H14 | C23 | N21 | H24 | 128.5° | 115.1° |
| H15 | C23 | N21 | H24 | 13.9° | 124.8° |
| H17 | C28 | C29 | H18 | 0.4° | 0.0° |
| H19 | C34 | C35 | H21 | 59.6° | 60.0° |
| H19 | C34 | C35 | H22 | 179.6° | 180.0° |
| H19 | C34 | C35 | H23 | 60.4° | 60.1° |
| H20 | C34 | C35 | H21 | 59.6° | 180.0° |
| H20 | C34 | C35 | H22 | 60.4° | 60.0° |
| H20 | C34 | C35 | H23 | 179.6° | 59.9° |
| H21 | C35 | H22 | H23 | 120.0° | 120.0° |
