3QQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| F13 | C10 | sing | 1.35Å | 1.35Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | N5 | sing | 1.47Å | 1.48Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| N5 | C6 | sing | 1.47Å | 1.46Å | |
| N5 | S14 | sing | 1.66Å | 1.66Å | |
| O16 | S14 | doub | 1.42Å | 1.42Å | |
| S14 | O15 | doub | 1.42Å | 1.43Å | |
| S14 | C17 | sing | 1.76Å | 1.77Å | |
| C22 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | N21 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| N21 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N23 | sing | 1.39Å | 1.39Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C26 | N27 | sing | 1.47Å | 1.47Å | |
| C24 | N23 | sing | 1.47Å | 1.47Å | |
| C24 | C29 | sing | 1.53Å | 1.53Å | |
| O32 | S30 | doub | 1.42Å | 1.41Å | |
| N27 | S30 | sing | 1.66Å | 1.67Å | |
| N27 | C28 | sing | 1.47Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| S30 | C33 | sing | 1.81Å | 1.81Å | |
| S30 | O31 | doub | 1.42Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| N23 | H19 | sing | 0.97Å | 1.00Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C4 | 110.3° | 109.4° |
| C3 | C2 | C1 | 109.6° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C2 | C3 | H11 | 109.5° | 109.5° |
| C3 | C2 | H15 | 109.4° | 109.4° |
| F13 | C10 | C9 | 120.4° | 120.0° |
| F13 | C10 | C11 | 119.4° | 120.0° |
| C4 | C2 | C1 | 108.7° | 109.5° |
| C2 | C4 | N5 | 107.8° | 109.5° |
| C2 | C4 | H1 | 109.9° | 109.4° |
| C2 | C4 | H2 | 109.9° | 109.5° |
| C4 | C2 | H15 | 109.4° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 109.4° | 109.5° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C10 | C9 | C8 | 119.8° | 119.9° |
| C10 | C9 | H7 | 120.1° | 120.0° |
| C10 | C11 | C12 | 119.8° | 119.9° |
| C10 | C11 | H5 | 120.1° | 120.0° |
| C9 | C8 | C7 | 119.8° | 120.1° |
| C9 | C8 | H6 | 120.1° | 120.0° |
| C8 | C9 | H7 | 120.1° | 120.0° |
| C11 | C12 | C7 | 120.1° | 120.1° |
| C12 | C11 | H5 | 120.1° | 120.0° |
| C11 | C12 | H8 | 119.9° | 120.0° |
| C4 | N5 | C6 | 117.2° | 120.0° |
| C4 | N5 | S14 | 121.2° | 120.0° |
| N5 | C4 | H1 | 109.9° | 109.5° |
| N5 | C4 | H2 | 109.9° | 109.5° |
| C8 | C7 | C12 | 120.3° | 120.0° |
| C8 | C7 | C6 | 121.5° | 120.0° |
| C7 | C8 | H6 | 120.1° | 120.0° |
| C12 | C7 | C6 | 118.2° | 120.0° |
| C7 | C12 | H8 | 120.0° | 119.9° |
| C7 | C6 | N5 | 111.8° | 109.5° |
| C7 | C6 | H3 | 108.9° | 109.5° |
| C7 | C6 | H4 | 108.9° | 109.5° |
| C6 | N5 | S14 | 120.6° | 120.0° |
| N5 | C6 | H3 | 108.9° | 109.4° |
| N5 | C6 | H4 | 108.9° | 109.4° |
| N5 | S14 | O16 | 106.9° | 106.4° |
| N5 | S14 | O15 | 107.4° | 106.4° |
| N5 | S14 | C17 | 110.7° | 107.2° |
| O16 | S14 | O15 | 122.8° | 123.2° |
| O16 | S14 | C17 | 104.5° | 106.4° |
| O15 | S14 | C17 | 104.2° | 106.4° |
| S14 | C17 | C22 | 121.7° | 120.4° |
| S14 | C17 | C18 | 118.8° | 120.3° |
| C17 | C22 | N21 | 120.4° | 120.9° |
| C22 | C17 | C18 | 119.5° | 119.3° |
| C17 | C22 | H18 | 119.8° | 119.6° |
| C22 | N21 | C20 | 121.5° | 121.6° |
| N21 | C22 | H18 | 119.8° | 119.5° |
| C17 | C18 | C19 | 118.7° | 118.5° |
| C17 | C18 | H16 | 120.6° | 120.8° |
| N21 | C20 | C19 | 120.3° | 120.5° |
| N21 | C20 | N23 | 120.1° | 119.7° |
| C18 | C19 | C20 | 119.5° | 119.1° |
| C19 | C18 | H16 | 120.7° | 120.7° |
| C18 | C19 | H17 | 120.3° | 120.5° |
| C19 | C20 | N23 | 119.6° | 119.8° |
| C20 | C19 | H17 | 120.2° | 120.4° |
| C20 | N23 | C24 | 118.6° | 120.0° |
| C20 | N23 | H19 | 107.2° | 120.0° |
| C26 | C25 | C24 | 111.7° | 109.3° |
| C25 | C26 | N27 | 114.4° | 108.8° |
| C26 | C25 | H21 | 108.9° | 109.5° |
| C26 | C25 | H22 | 108.9° | 109.5° |
| C25 | C26 | H23 | 108.2° | 109.6° |
| C25 | C26 | H24 | 108.2° | 109.6° |
| C25 | C24 | N23 | 110.0° | 109.5° |
| C25 | C24 | C29 | 109.5° | 109.6° |
| C25 | C24 | H20 | 108.4° | 109.5° |
| C24 | C25 | H21 | 108.9° | 109.5° |
| C24 | C25 | H22 | 108.9° | 109.5° |
| C26 | N27 | S30 | 119.2° | 120.6° |
| C26 | N27 | C28 | 120.2° | 118.8° |
| N27 | C26 | H23 | 108.2° | 109.6° |
| N27 | C26 | H24 | 108.2° | 109.6° |
| N23 | C24 | C29 | 111.3° | 109.4° |
| C24 | N23 | H19 | 107.2° | 120.0° |
| N23 | C24 | H20 | 109.2° | 109.4° |
| C24 | C29 | C28 | 112.6° | 109.3° |
| C29 | C24 | H20 | 108.4° | 109.5° |
| C24 | C29 | H27 | 108.7° | 109.5° |
| C24 | C29 | H28 | 108.7° | 109.5° |
| O32 | S30 | N27 | 107.8° | 104.3° |
| O32 | S30 | C33 | 108.7° | 110.6° |
| O32 | S30 | O31 | 121.4° | 121.1° |
| S30 | N27 | C28 | 120.4° | 120.6° |
| N27 | S30 | C33 | 102.9° | 104.5° |
| N27 | S30 | O31 | 108.4° | 104.3° |
| N27 | C28 | C29 | 114.3° | 108.8° |
| N27 | C28 | H25 | 108.3° | 109.6° |
| N27 | C28 | H26 | 108.3° | 109.6° |
| C29 | C28 | H25 | 108.3° | 109.5° |
| C29 | C28 | H26 | 108.2° | 109.7° |
| C28 | C29 | H27 | 108.7° | 109.5° |
| C28 | C29 | H28 | 108.7° | 109.5° |
| C33 | S30 | O31 | 106.1° | 110.5° |
| S30 | C33 | H29 | 109.5° | 109.5° |
| S30 | C33 | H30 | 109.5° | 109.4° |
| S30 | C33 | H31 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.4° | 109.5° |
| H9 | C3 | H11 | 109.4° | 109.4° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.7° |
| H25 | C28 | H26 | 109.5° | 109.6° |
| H27 | C29 | H28 | 109.4° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.6° |
| H29 | C33 | H31 | 109.5° | 109.4° |
| H30 | C33 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C4 | C1 | 120.2° | 120.0° |
| C3 | C2 | C4 | H15 | 120.4° | 119.9° |
| C3 | C2 | C1 | H15 | 119.9° | 120.0° |
| C3 | C2 | C4 | N5 | 179.0° | 175.0° |
| C3 | C2 | C4 | H1 | 61.3° | 65.0° |
| C3 | C2 | C4 | H2 | 59.3° | 54.9° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C2 | C3 | H9 | H11 | 120.0° | 120.0° |
| C2 | C3 | H10 | H11 | 120.0° | 120.1° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | H13 | 60.0° | 60.0° |
| C3 | C2 | C1 | H14 | 60.0° | 60.0° |
| F13 | C10 | C9 | C11 | 178.8° | 180.0° |
| F13 | C10 | C9 | C8 | 179.2° | 179.4° |
| F13 | C10 | C11 | C12 | 179.2° | 180.0° |
| F13 | C10 | C11 | H5 | 0.8° | 0.3° |
| F13 | C10 | C9 | H7 | 0.8° | 0.2° |
| C4 | C2 | C1 | H15 | 119.4° | 120.0° |
| C2 | C4 | N5 | H1 | 119.8° | 120.0° |
| C2 | C4 | N5 | H2 | 119.8° | 120.0° |
| C2 | C4 | N5 | C6 | 69.0° | 85.0° |
| C2 | C4 | N5 | S14 | 121.9° | 94.9° |
| C2 | C4 | H1 | H2 | 120.8° | 120.0° |
| C4 | C2 | C3 | H9 | 180.0° | 60.0° |
| C4 | C2 | C3 | H10 | 60.0° | 180.0° |
| C4 | C2 | C3 | H11 | 60.0° | 59.9° |
| C4 | C2 | C1 | H12 | 59.4° | 60.0° |
| C4 | C2 | C1 | H13 | 60.7° | 180.0° |
| C4 | C2 | C1 | H14 | 179.4° | 60.0° |
| C1 | C2 | C4 | N5 | 58.8° | 65.0° |
| C1 | C2 | C4 | H1 | 178.6° | 55.0° |
| C1 | C2 | C4 | H2 | 60.9° | 175.0° |
| C1 | C2 | C3 | H9 | 60.3° | 60.0° |
| C1 | C2 | C3 | H10 | 59.7° | 60.0° |
| C1 | C2 | C3 | H11 | 179.7° | 179.9° |
| C2 | C1 | H12 | H13 | 120.0° | 119.9° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C10 | C9 | C8 | H7 | 180.0° | 179.2° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.8° |
| C9 | C10 | C11 | H5 | 179.7° | 179.7° |
| C10 | C9 | C8 | H6 | 179.9° | 179.7° |
| C11 | C10 | C9 | C8 | 0.4° | 0.6° |
| C10 | C11 | C12 | H5 | 180.0° | 179.7° |
| C10 | C11 | C12 | C7 | 0.1° | 0.3° |
| C11 | C10 | C9 | H7 | 179.6° | 179.8° |
| C10 | C11 | C12 | H8 | 179.9° | 179.8° |
| C9 | C8 | C7 | H6 | 180.0° | 179.5° |
| C9 | C8 | C7 | C12 | 0.3° | 0.5° |
| C9 | C8 | C7 | C6 | 179.8° | 179.5° |
| C11 | C12 | C7 | C8 | 0.4° | 0.0° |
| C11 | C12 | C7 | H8 | 180.0° | 180.0° |
| C11 | C12 | C7 | C6 | 179.8° | 180.0° |
| C4 | N5 | C6 | C7 | 65.5° | 85.0° |
| C4 | N5 | C6 | S14 | 169.1° | 179.9° |
| C4 | N5 | S14 | O16 | 3.0° | 23.5° |
| C4 | N5 | S14 | O15 | 130.5° | 156.5° |
| C4 | N5 | S14 | C17 | 116.3° | 90.0° |
| N5 | C4 | H1 | H2 | 120.7° | 120.0° |
| C4 | N5 | C6 | H3 | 54.8° | 35.1° |
| C4 | N5 | C6 | H4 | 174.1° | 155.0° |
| N5 | C4 | C2 | H15 | 60.6° | 55.1° |
| C8 | C7 | C12 | C6 | 179.5° | 180.0° |
| C8 | C7 | C6 | N5 | 24.7° | 90.0° |
| C8 | C7 | C6 | H3 | 145.0° | 150.1° |
| C8 | C7 | C6 | H4 | 95.6° | 30.0° |
| C7 | C8 | C9 | H7 | 179.9° | 180.0° |
| C8 | C7 | C12 | H8 | 179.6° | 180.0° |
| C12 | C7 | C6 | N5 | 155.8° | 90.0° |
| C12 | C7 | C6 | H3 | 35.5° | 29.9° |
| C12 | C7 | C6 | H4 | 83.8° | 150.0° |
| C7 | C12 | C11 | H5 | 179.9° | 180.0° |
| C12 | C7 | C8 | H6 | 179.7° | 180.0° |
| C7 | C6 | N5 | H3 | 120.3° | 120.0° |
| C7 | C6 | N5 | H4 | 120.3° | 120.0° |
| C7 | C6 | N5 | S14 | 103.6° | 95.0° |
| C7 | C6 | H3 | H4 | 119.0° | 120.1° |
| C6 | C7 | C8 | H6 | 0.3° | 0.0° |
| C6 | C7 | C12 | H8 | 0.1° | 0.0° |
| C6 | N5 | S14 | O16 | 171.7° | 156.4° |
| C6 | N5 | S14 | O15 | 38.2° | 23.5° |
| C6 | N5 | S14 | C17 | 75.0° | 90.1° |
| C6 | N5 | C4 | H1 | 50.7° | 155.1° |
| C6 | N5 | C4 | H2 | 171.2° | 35.1° |
| N5 | C6 | H3 | H4 | 118.9° | 119.9° |
| N5 | S14 | O16 | O15 | 124.6° | 123.0° |
| N5 | S14 | O16 | C17 | 117.4° | 114.1° |
| N5 | S14 | O15 | C17 | 117.5° | 114.1° |
| N5 | S14 | C17 | C22 | 85.2° | 90.3° |
| N5 | S14 | C17 | C18 | 96.8° | 90.0° |
| S14 | N5 | C4 | H1 | 118.3° | 25.0° |
| S14 | N5 | C4 | H2 | 2.2° | 145.0° |
| S14 | N5 | C6 | H3 | 136.1° | 145.0° |
| S14 | N5 | C6 | H4 | 16.8° | 25.0° |
| O16 | S14 | O15 | C17 | 118.2° | 122.9° |
| O16 | S14 | C17 | C22 | 29.5° | 23.3° |
| O16 | S14 | C17 | C18 | 148.5° | 156.5° |
| O15 | S14 | C17 | C22 | 159.6° | 156.2° |
| O15 | S14 | C17 | C18 | 18.4° | 23.6° |
| S14 | C17 | C22 | C18 | 178.0° | 179.8° |
| S14 | C17 | C22 | N21 | 179.3° | 179.7° |
| S14 | C17 | C18 | C19 | 180.0° | 180.0° |
| S14 | C17 | C18 | H16 | 0.0° | 0.0° |
| S14 | C17 | C22 | H18 | 0.7° | 0.0° |
| C17 | C22 | N21 | H18 | 180.0° | 179.7° |
| C17 | C22 | N21 | C20 | 0.4° | 0.6° |
| C22 | C17 | C18 | C19 | 1.9° | 0.2° |
| C22 | C17 | C18 | H16 | 178.1° | 179.8° |
| N21 | C22 | C17 | C18 | 1.3° | 0.5° |
| C22 | N21 | C20 | C19 | 0.2° | 0.3° |
| C22 | N21 | C20 | N23 | 179.9° | 179.7° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.7° | 0.0° |
| C17 | C18 | C19 | H17 | 178.3° | 180.0° |
| C18 | C17 | C22 | H18 | 178.7° | 179.8° |
| N21 | C20 | C19 | C18 | 0.9° | 0.0° |
| N21 | C20 | C19 | N23 | 179.7° | 180.0° |
| N21 | C20 | N23 | C24 | 15.9° | 180.0° |
| N21 | C20 | C19 | H17 | 179.2° | 180.0° |
| C20 | N21 | C22 | H18 | 179.6° | 179.7° |
| N21 | C20 | N23 | H19 | 105.4° | 0.0° |
| C18 | C19 | C20 | H17 | 180.0° | 180.0° |
| C18 | C19 | C20 | N23 | 179.4° | 180.0° |
| C19 | C20 | N23 | C24 | 164.4° | 0.0° |
| C20 | C19 | C18 | H16 | 178.3° | 180.0° |
| C19 | C20 | N23 | H19 | 74.3° | 179.9° |
| C20 | N23 | C24 | C25 | 90.2° | 85.0° |
| C20 | N23 | C24 | H19 | 121.3° | 180.0° |
| C20 | N23 | C24 | C29 | 148.3° | 155.0° |
| N23 | C20 | C19 | H17 | 0.5° | 0.0° |
| C20 | N23 | C24 | H20 | 28.6° | 35.1° |
| C26 | C25 | C24 | H21 | 120.4° | 119.9° |
| C26 | C25 | C24 | H22 | 120.3° | 120.0° |
| C25 | C26 | N27 | H23 | 120.7° | 119.8° |
| C25 | C26 | N27 | H24 | 120.7° | 119.8° |
| C26 | C25 | C24 | N23 | 65.0° | 178.6° |
| C26 | C25 | C24 | C29 | 57.5° | 61.4° |
| C25 | C26 | N27 | S30 | 150.8° | 126.4° |
| C25 | C26 | N27 | C28 | 35.4° | 53.6° |
| C26 | C25 | C24 | H20 | 175.6° | 58.7° |
| C26 | C25 | H21 | H22 | 119.0° | 120.1° |
| C25 | C26 | H23 | H24 | 117.7° | 120.3° |
| C24 | C25 | C26 | N27 | 46.8° | 54.7° |
| C25 | C24 | N23 | C29 | 121.5° | 120.1° |
| C25 | C24 | N23 | H20 | 118.8° | 120.0° |
| C25 | C24 | C29 | H20 | 118.0° | 120.1° |
| C25 | C24 | C29 | C28 | 56.4° | 61.4° |
| C25 | C24 | N23 | H19 | 31.1° | 95.1° |
| C24 | C25 | H21 | H22 | 119.0° | 120.1° |
| C24 | C25 | C26 | H23 | 167.5° | 65.2° |
| C24 | C25 | C26 | H24 | 74.0° | 174.5° |
| C25 | C24 | C29 | H27 | 176.9° | 58.6° |
| C25 | C24 | C29 | H28 | 64.1° | 178.7° |
| C26 | N27 | S30 | O32 | 26.9° | 26.1° |
| C26 | N27 | S30 | C28 | 173.8° | 180.0° |
| C26 | N27 | C28 | C29 | 33.8° | 53.6° |
| C26 | N27 | S30 | C33 | 87.9° | 90.0° |
| C26 | N27 | S30 | O31 | 160.0° | 153.9° |
| N27 | C26 | C25 | H21 | 167.1° | 174.5° |
| N27 | C26 | C25 | H22 | 73.6° | 65.3° |
| N27 | C26 | H23 | H24 | 117.8° | 120.4° |
| C26 | N27 | C28 | H25 | 154.5° | 66.1° |
| C26 | N27 | C28 | H26 | 86.9° | 173.5° |
| N23 | C24 | C29 | H20 | 120.1° | 119.9° |
| N23 | C24 | C29 | C28 | 65.4° | 178.6° |
| N23 | C24 | C25 | H21 | 55.3° | 58.7° |
| N23 | C24 | C25 | H22 | 174.6° | 61.4° |
| N23 | C24 | C29 | H27 | 55.1° | 61.5° |
| N23 | C24 | C29 | H28 | 174.1° | 58.6° |
| C24 | C29 | C28 | N27 | 44.0° | 54.6° |
| C24 | C29 | C28 | H27 | 120.5° | 119.9° |
| C24 | C29 | C28 | H28 | 120.5° | 119.9° |
| C29 | C24 | N23 | H19 | 90.4° | 25.0° |
| C29 | C24 | C25 | H21 | 177.9° | 178.7° |
| C29 | C24 | C25 | H22 | 62.8° | 58.6° |
| C24 | C29 | C28 | H25 | 164.8° | 65.2° |
| C24 | C29 | C28 | H26 | 76.7° | 174.5° |
| C24 | C29 | H27 | H28 | 118.6° | 120.1° |
| O32 | S30 | N27 | C33 | 114.8° | 116.1° |
| O32 | S30 | N27 | O31 | 133.1° | 127.9° |
| O32 | S30 | N27 | C28 | 159.3° | 153.9° |
| O32 | S30 | C33 | O31 | 132.1° | 136.8° |
| O32 | S30 | C33 | H29 | 180.0° | 171.6° |
| O32 | S30 | C33 | H30 | 60.0° | 68.4° |
| O32 | S30 | C33 | H31 | 60.0° | 51.6° |
| S30 | N27 | C28 | C29 | 152.5° | 126.4° |
| N27 | S30 | C33 | O31 | 113.8° | 111.6° |
| S30 | N27 | C26 | H23 | 30.1° | 113.8° |
| S30 | N27 | C26 | H24 | 88.4° | 6.6° |
| S30 | N27 | C28 | H25 | 31.8° | 113.8° |
| S30 | N27 | C28 | H26 | 86.8° | 6.5° |
| N27 | S30 | C33 | H29 | 65.9° | 59.9° |
| N27 | S30 | C33 | H30 | 174.1° | 180.0° |
| N27 | S30 | C33 | H31 | 54.1° | 60.0° |
| N27 | C28 | C29 | H25 | 120.7° | 119.8° |
| N27 | C28 | C29 | H26 | 120.7° | 119.9° |
| C28 | N27 | S30 | C33 | 85.9° | 90.0° |
| C28 | N27 | S30 | O31 | 26.2° | 26.0° |
| C28 | N27 | C26 | H23 | 156.1° | 66.1° |
| C28 | N27 | C26 | H24 | 85.4° | 173.4° |
| N27 | C28 | H25 | H26 | 117.8° | 120.4° |
| N27 | C28 | C29 | H27 | 164.5° | 65.3° |
| N27 | C28 | C29 | H28 | 76.5° | 174.6° |
| C28 | C29 | C24 | H20 | 174.5° | 58.7° |
| C29 | C28 | H25 | H26 | 117.8° | 120.4° |
| C28 | C29 | H27 | H28 | 118.6° | 120.1° |
| S30 | C33 | H29 | H30 | 120.0° | 120.0° |
| S30 | C33 | H29 | H31 | 120.0° | 120.0° |
| S30 | C33 | H30 | H31 | 120.0° | 120.0° |
| O31 | S30 | C33 | H29 | 47.9° | 51.7° |
| O31 | S30 | C33 | H30 | 72.1° | 68.4° |
| O31 | S30 | C33 | H31 | 167.9° | 171.6° |
| H1 | C4 | C2 | H15 | 59.2° | 175.0° |
| H2 | C4 | C2 | H15 | 179.7° | 65.0° |
| H5 | C11 | C12 | H8 | 0.1° | 0.0° |
| H6 | C8 | C9 | H7 | 0.1° | 0.6° |
| H9 | C3 | H10 | H11 | 120.0° | 119.9° |
| H9 | C3 | C2 | H15 | 59.6° | 180.0° |
| H10 | C3 | C2 | H15 | 179.6° | 60.0° |
| H11 | C3 | C2 | H15 | 60.4° | 60.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H15 | 60.1° | 60.0° |
| H13 | C1 | C2 | H15 | 179.9° | 60.0° |
| H14 | C1 | C2 | H15 | 59.9° | 180.0° |
| H16 | C18 | C19 | H17 | 1.7° | 0.0° |
| H19 | N23 | C24 | H20 | 149.9° | 144.9° |
| H20 | C24 | C25 | H21 | 64.0° | 61.2° |
| H20 | C24 | C25 | H22 | 55.3° | 178.7° |
| H20 | C24 | C29 | H27 | 65.0° | 178.7° |
| H20 | C24 | C29 | H28 | 54.0° | 61.2° |
| H21 | C25 | C26 | H23 | 72.2° | 54.7° |
| H21 | C25 | C26 | H24 | 46.3° | 65.6° |
| H22 | C25 | C26 | H23 | 47.2° | 174.9° |
| H22 | C25 | C26 | H24 | 165.7° | 54.5° |
| H25 | C28 | C29 | H27 | 74.7° | 174.9° |
| H25 | C28 | C29 | H28 | 44.3° | 54.7° |
| H26 | C28 | C29 | H27 | 43.8° | 54.6° |
| H26 | C28 | C29 | H28 | 162.8° | 65.6° |
| H29 | C33 | H30 | H31 | 120.0° | 120.0° |
