YQ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | N35 | doub | 1.29Å | 1.27Å | Aromatic |
| N34 | N33 | sing | 1.29Å | 1.35Å | Aromatic |
| F42 | C39 | sing | 1.40Å | 1.33Å | |
| N35 | C36 | sing | 1.33Å | 1.41Å | Aromatic |
| F41 | C39 | sing | 1.40Å | 1.31Å | |
| C39 | C29 | sing | 1.51Å | 1.51Å | |
| C39 | F40 | sing | 1.40Å | 1.31Å | |
| N33 | C32 | sing | 1.47Å | 1.44Å | |
| N33 | N37 | sing | 1.29Å | 1.35Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.48Å | |
| C30 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | N37 | doub | 1.31Å | 1.35Å | Aromatic |
| C36 | C38 | sing | 1.51Å | 1.47Å | |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.49Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C22 | sing | 1.51Å | 1.50Å | |
| O23 | C22 | doub | 1.21Å | 1.21Å | |
| C22 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| N3 | C2 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.46Å | |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| C5 | C1 | doub | 1.30Å | 1.33Å | |
| C5 | C6 | sing | 1.51Å | 1.48Å | |
| C1 | C8 | sing | 1.51Å | 1.47Å | |
| C6 | N7 | sing | 1.47Å | 1.49Å | |
| C8 | N7 | sing | 1.47Å | 1.49Å | |
| N7 | C9 | sing | 1.35Å | 1.37Å | |
| O10 | C9 | doub | 1.22Å | 1.23Å | |
| C9 | C11 | sing | 1.48Å | 1.52Å | |
| C11 | N12 | doub | 1.33Å | 1.34Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| N12 | C13 | sing | 1.31Å | 1.34Å | Aromatic |
| O20 | S18 | doub | 1.42Å | 1.41Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | F17 | sing | 1.35Å | 1.34Å | |
| C16 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | S18 | sing | 1.76Å | 1.69Å | |
| S18 | O21 | doub | 1.42Å | 1.39Å | |
| S18 | N19 | sing | 1.66Å | 1.61Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| N19 | H17 | sing | 0.97Å | 1.00Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N35 | N34 | N33 | 107.6° | 108.7° |
| N34 | N35 | C36 | 107.5° | 107.4° |
| N34 | N33 | C32 | 123.6° | 125.4° |
| N34 | N33 | N37 | 112.8° | 109.1° |
| F42 | C39 | F41 | 102.9° | 109.4° |
| F42 | C39 | C29 | 113.8° | 109.4° |
| F42 | C39 | F40 | 110.7° | 109.5° |
| N35 | C36 | N37 | 109.6° | 106.9° |
| N35 | C36 | C38 | 122.6° | 126.6° |
| F41 | C39 | C29 | 114.9° | 109.5° |
| F41 | C39 | F40 | 99.4° | 109.5° |
| C29 | C39 | F40 | 113.9° | 109.5° |
| C39 | C29 | C30 | 117.5° | 120.0° |
| C39 | C29 | C28 | 120.7° | 120.0° |
| C32 | N33 | N37 | 123.5° | 125.5° |
| N33 | C32 | C31 | 114.7° | 109.5° |
| N33 | C32 | H20 | 108.2° | 109.5° |
| N33 | C32 | H21 | 108.1° | 109.4° |
| N33 | N37 | C36 | 102.5° | 107.9° |
| C32 | C31 | C30 | 118.0° | 120.0° |
| C32 | C31 | C26 | 120.8° | 120.0° |
| C31 | C32 | H20 | 108.1° | 109.5° |
| C31 | C32 | H21 | 108.2° | 109.5° |
| C29 | C30 | C31 | 117.8° | 120.0° |
| C30 | C29 | C28 | 121.9° | 120.0° |
| C29 | C30 | H19 | 121.1° | 119.9° |
| C30 | C31 | C26 | 121.2° | 120.0° |
| C31 | C30 | H19 | 121.1° | 120.0° |
| N37 | C36 | C38 | 127.7° | 126.5° |
| C36 | C38 | H22 | 109.5° | 109.4° |
| C36 | C38 | H23 | 109.5° | 109.5° |
| C36 | C38 | H24 | 109.5° | 109.5° |
| C29 | C28 | C27 | 120.1° | 120.0° |
| C29 | C28 | H8 | 120.0° | 120.0° |
| C31 | C26 | C27 | 119.5° | 120.0° |
| C31 | C26 | C25 | 122.6° | 120.0° |
| C28 | C27 | C26 | 119.5° | 120.0° |
| C28 | C27 | H7 | 120.2° | 120.0° |
| C27 | C28 | H8 | 120.0° | 120.0° |
| C27 | C26 | C25 | 117.9° | 120.0° |
| C26 | C27 | H7 | 120.3° | 120.0° |
| C26 | C25 | C24 | 109.8° | 109.5° |
| C26 | C25 | H5 | 109.4° | 109.5° |
| C26 | C25 | H6 | 109.4° | 109.5° |
| C25 | C24 | C22 | 109.3° | 109.5° |
| C25 | C24 | H3 | 109.5° | 109.5° |
| C25 | C24 | H4 | 109.5° | 109.5° |
| C24 | C25 | H5 | 109.4° | 109.5° |
| C24 | C25 | H6 | 109.4° | 109.4° |
| C24 | C22 | O23 | 124.9° | 120.0° |
| C24 | C22 | N3 | 115.6° | 120.0° |
| C22 | C24 | H3 | 109.5° | 109.4° |
| C22 | C24 | H4 | 109.5° | 109.5° |
| O23 | C22 | N3 | 119.6° | 120.0° |
| C22 | N3 | C4 | 125.8° | 127.2° |
| C22 | N3 | C2 | 120.4° | 127.3° |
| C4 | N3 | C2 | 113.8° | 105.5° |
| N3 | C4 | C5 | 100.9° | 107.2° |
| N3 | C4 | H11 | 111.6° | 109.9° |
| N3 | C4 | H12 | 111.6° | 109.9° |
| N3 | C2 | C1 | 99.7° | 107.3° |
| N3 | C2 | H9 | 111.8° | 109.8° |
| N3 | C2 | H10 | 111.9° | 110.0° |
| C4 | C5 | C1 | 111.6° | 110.0° |
| C4 | C5 | C6 | 135.3° | 140.0° |
| C5 | C4 | H11 | 111.6° | 109.6° |
| C5 | C4 | H12 | 111.6° | 110.1° |
| C2 | C1 | C5 | 113.8° | 110.0° |
| C2 | C1 | C8 | 134.0° | 140.0° |
| C1 | C2 | H9 | 111.9° | 109.9° |
| C1 | C2 | H10 | 111.9° | 109.9° |
| C1 | C5 | C6 | 113.1° | 110.0° |
| C5 | C1 | C8 | 112.2° | 110.0° |
| C5 | C6 | N7 | 100.4° | 107.3° |
| C5 | C6 | H13 | 111.7° | 109.9° |
| C5 | C6 | H14 | 111.7° | 109.9° |
| C1 | C8 | N7 | 101.7° | 107.3° |
| C1 | C8 | H15 | 111.4° | 109.9° |
| C1 | C8 | H16 | 111.4° | 109.9° |
| C6 | N7 | C8 | 111.8° | 105.5° |
| C6 | N7 | C9 | 121.6° | 127.3° |
| N7 | C6 | H13 | 111.7° | 109.9° |
| N7 | C6 | H14 | 111.7° | 109.8° |
| C8 | N7 | C9 | 126.6° | 127.2° |
| N7 | C8 | H15 | 111.4° | 110.5° |
| N7 | C8 | H16 | 111.4° | 109.3° |
| N7 | C9 | O10 | 116.9° | 119.9° |
| N7 | C9 | C11 | 124.4° | 120.0° |
| O10 | C9 | C11 | 118.7° | 120.0° |
| C9 | C11 | N12 | 115.9° | 119.7° |
| C9 | C11 | C16 | 124.6° | 119.7° |
| N12 | C11 | C16 | 119.3° | 120.5° |
| C11 | N12 | C13 | 121.1° | 121.7° |
| C11 | C16 | F17 | 121.1° | 120.5° |
| C11 | C16 | C15 | 119.0° | 119.0° |
| N12 | C13 | C14 | 124.2° | 121.0° |
| N12 | C13 | H1 | 117.9° | 119.5° |
| O20 | S18 | C14 | 108.9° | 106.4° |
| O20 | S18 | O21 | 120.7° | 123.1° |
| O20 | S18 | N19 | 107.7° | 106.4° |
| C13 | C14 | C15 | 115.6° | 119.4° |
| C13 | C14 | S18 | 119.8° | 120.3° |
| C14 | C13 | H1 | 117.9° | 119.5° |
| F17 | C16 | C15 | 119.9° | 120.5° |
| C16 | C15 | C14 | 120.7° | 118.5° |
| C16 | C15 | H2 | 119.7° | 120.8° |
| C15 | C14 | S18 | 124.6° | 120.3° |
| C14 | C15 | H2 | 119.6° | 120.8° |
| C14 | S18 | O21 | 108.6° | 106.4° |
| C14 | S18 | N19 | 101.0° | 107.2° |
| O21 | S18 | N19 | 108.1° | 106.4° |
| S18 | N19 | H17 | 109.5° | 120.0° |
| S18 | N19 | H18 | 109.5° | 120.0° |
| H3 | C24 | H4 | 109.5° | 109.5° |
| H5 | C25 | H6 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.9° |
| H11 | C4 | H12 | 109.5° | 110.0° |
| H13 | C6 | H14 | 109.5° | 110.0° |
| H15 | C8 | H16 | 109.5° | 110.0° |
| H17 | N19 | H18 | 109.5° | 120.1° |
| H20 | C32 | H21 | 109.5° | 109.5° |
| H22 | C38 | H23 | 109.5° | 109.5° |
| H22 | C38 | H24 | 109.4° | 109.4° |
| H23 | C38 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N35 | N34 | N33 | C32 | 178.9° | 180.0° |
| N35 | N34 | N33 | N37 | 0.3° | 0.3° |
| N34 | N35 | C36 | N37 | 0.8° | 0.3° |
| N34 | N35 | C36 | C38 | 179.8° | 180.0° |
| N33 | N34 | N35 | C36 | 0.6° | 0.0° |
| N34 | N33 | C32 | N37 | 178.5° | 179.7° |
| N34 | N33 | C32 | C31 | 92.5° | 89.7° |
| N34 | N33 | N37 | C36 | 0.3° | 0.5° |
| N34 | N33 | C32 | H20 | 146.8° | 150.3° |
| N34 | N33 | C32 | H21 | 28.3° | 30.3° |
| F42 | C39 | F41 | C29 | 124.2° | 119.9° |
| F42 | C39 | F41 | F40 | 113.9° | 120.0° |
| F42 | C39 | C29 | F40 | 128.0° | 120.0° |
| F42 | C39 | C29 | C30 | 15.0° | 60.0° |
| F42 | C39 | C29 | C28 | 164.9° | 120.0° |
| N35 | C36 | N37 | N33 | 0.6° | 0.5° |
| N35 | C36 | N37 | C38 | 178.9° | 179.7° |
| N35 | C36 | C38 | H22 | 0.0° | 90.0° |
| N35 | C36 | C38 | H23 | 120.0° | 149.9° |
| N35 | C36 | C38 | H24 | 120.0° | 29.9° |
| F41 | C39 | C29 | F40 | 113.7° | 120.0° |
| F41 | C39 | C29 | C30 | 103.2° | 60.0° |
| F41 | C39 | C29 | C28 | 76.9° | 120.0° |
| C39 | C29 | C30 | C28 | 179.9° | 180.0° |
| C39 | C29 | C30 | C31 | 179.8° | 179.8° |
| C39 | C29 | C28 | C27 | 179.5° | 180.0° |
| C39 | C29 | C28 | H8 | 0.5° | 0.0° |
| C39 | C29 | C30 | H19 | 0.2° | 0.0° |
| F40 | C39 | C29 | C30 | 143.1° | 180.0° |
| F40 | C39 | C29 | C28 | 36.9° | 0.0° |
| N33 | C32 | C31 | H20 | 120.8° | 120.0° |
| N33 | C32 | C31 | H21 | 120.7° | 120.0° |
| N33 | C32 | C31 | C30 | 64.1° | 95.0° |
| C32 | N33 | N37 | C36 | 178.4° | 179.8° |
| N33 | C32 | C31 | C26 | 117.4° | 84.5° |
| N33 | C32 | H20 | H21 | 117.6° | 120.0° |
| N37 | N33 | C32 | C31 | 89.0° | 90.0° |
| N33 | N37 | C36 | C38 | 179.5° | 179.8° |
| N37 | N33 | C32 | H20 | 31.7° | 30.0° |
| N37 | N33 | C32 | H21 | 150.2° | 150.0° |
| C32 | C31 | C30 | C29 | 178.9° | 180.0° |
| C32 | C31 | C30 | C26 | 178.5° | 179.5° |
| C32 | C31 | C26 | C27 | 179.4° | 180.0° |
| C32 | C31 | C26 | C25 | 1.6° | 0.2° |
| C32 | C31 | C30 | H19 | 1.0° | 0.2° |
| C31 | C32 | H20 | H21 | 117.6° | 120.0° |
| C29 | C30 | C31 | H19 | 180.0° | 179.8° |
| C29 | C30 | C31 | C26 | 0.5° | 0.5° |
| C30 | C29 | C28 | C27 | 0.6° | 0.0° |
| C30 | C29 | C28 | H8 | 179.4° | 180.0° |
| C31 | C30 | C29 | C28 | 0.3° | 0.2° |
| C30 | C31 | C26 | C27 | 1.0° | 0.5° |
| C30 | C31 | C26 | C25 | 180.0° | 179.7° |
| C30 | C31 | C32 | H20 | 175.1° | 25.0° |
| C30 | C31 | C32 | H21 | 56.6° | 145.0° |
| N37 | C36 | C38 | H22 | 178.7° | 89.7° |
| N37 | C36 | C38 | H23 | 61.3° | 30.4° |
| N37 | C36 | C38 | H24 | 58.7° | 150.4° |
| C36 | C38 | H22 | H23 | 120.0° | 120.1° |
| C36 | C38 | H22 | H24 | 120.0° | 119.9° |
| C36 | C38 | H23 | H24 | 120.0° | 120.0° |
| C29 | C28 | C27 | H8 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H7 | 179.9° | 180.0° |
| C28 | C29 | C30 | H19 | 179.7° | 180.0° |
| C31 | C26 | C27 | C28 | 0.7° | 0.2° |
| C31 | C26 | C27 | C25 | 179.0° | 179.8° |
| C31 | C26 | C25 | C24 | 77.1° | 84.8° |
| C31 | C26 | C25 | H5 | 43.0° | 35.3° |
| C31 | C26 | C25 | H6 | 162.9° | 155.3° |
| C31 | C26 | C27 | H7 | 179.3° | 179.7° |
| C26 | C31 | C30 | H19 | 179.5° | 179.7° |
| C26 | C31 | C32 | H20 | 3.4° | 155.5° |
| C26 | C31 | C32 | H21 | 121.8° | 35.5° |
| C28 | C27 | C26 | H7 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 179.7° | 180.0° |
| C27 | C26 | C25 | C24 | 101.9° | 95.0° |
| C27 | C26 | C25 | H5 | 138.0° | 144.9° |
| C27 | C26 | C25 | H6 | 18.1° | 24.9° |
| C26 | C27 | C28 | H8 | 179.9° | 180.0° |
| C26 | C25 | C24 | H5 | 120.0° | 120.1° |
| C26 | C25 | C24 | H6 | 120.0° | 120.0° |
| C26 | C25 | C24 | C22 | 170.3° | 180.0° |
| C26 | C25 | C24 | H3 | 50.3° | 60.0° |
| C26 | C25 | C24 | H4 | 69.7° | 60.0° |
| C26 | C25 | H5 | H6 | 119.8° | 120.0° |
| C25 | C26 | C27 | H7 | 0.3° | 0.1° |
| C25 | C24 | C22 | H3 | 120.0° | 120.0° |
| C25 | C24 | C22 | H4 | 120.0° | 120.0° |
| C25 | C24 | C22 | O23 | 0.5° | 0.0° |
| C25 | C24 | C22 | N3 | 179.9° | 180.0° |
| C25 | C24 | H3 | H4 | 120.1° | 120.0° |
| C24 | C25 | H5 | H6 | 119.9° | 119.9° |
| C24 | C22 | O23 | N3 | 179.6° | 179.9° |
| C24 | C22 | N3 | C4 | 179.8° | 180.0° |
| C24 | C22 | N3 | C2 | 0.4° | 0.0° |
| C22 | C24 | H3 | H4 | 120.1° | 120.0° |
| C22 | C24 | C25 | H5 | 69.7° | 60.0° |
| C22 | C24 | C25 | H6 | 50.3° | 60.0° |
| O23 | C22 | N3 | C4 | 0.2° | 0.0° |
| O23 | C22 | N3 | C2 | 180.0° | 180.0° |
| O23 | C22 | C24 | H3 | 119.4° | 120.0° |
| O23 | C22 | C24 | H4 | 120.5° | 120.0° |
| C22 | N3 | C4 | C2 | 179.8° | 180.0° |
| C22 | N3 | C4 | C5 | 178.7° | 179.7° |
| C22 | N3 | C2 | C1 | 176.9° | 180.0° |
| N3 | C22 | C24 | H3 | 60.2° | 60.0° |
| N3 | C22 | C24 | H4 | 59.9° | 60.0° |
| C22 | N3 | C2 | H9 | 58.5° | 60.6° |
| C22 | N3 | C2 | H10 | 64.7° | 60.5° |
| C22 | N3 | C4 | H11 | 62.7° | 60.6° |
| C22 | N3 | C4 | H12 | 60.1° | 60.6° |
| N3 | C4 | C5 | H11 | 118.6° | 119.2° |
| N3 | C4 | C5 | H12 | 118.6° | 119.5° |
| C4 | N3 | C2 | C1 | 3.3° | 0.0° |
| N3 | C4 | C5 | C1 | 1.3° | 0.6° |
| N3 | C4 | C5 | C6 | 179.3° | 179.9° |
| C4 | N3 | C2 | H9 | 121.6° | 119.4° |
| C4 | N3 | C2 | H10 | 115.2° | 119.5° |
| N3 | C4 | H11 | H12 | 124.0° | 121.1° |
| C2 | N3 | C4 | C5 | 1.4° | 0.3° |
| N3 | C2 | C1 | H9 | 118.4° | 119.4° |
| N3 | C2 | C1 | H10 | 118.4° | 119.6° |
| N3 | C2 | C1 | C5 | 4.2° | 0.3° |
| N3 | C2 | C1 | C8 | 175.4° | 180.0° |
| N3 | C2 | H9 | H10 | 124.6° | 121.2° |
| C2 | N3 | C4 | H11 | 117.2° | 119.4° |
| C2 | N3 | C4 | H12 | 120.0° | 119.4° |
| C4 | C5 | C1 | C2 | 3.7° | 0.5° |
| C4 | C5 | C1 | C6 | 179.6° | 179.6° |
| C4 | C5 | C1 | C8 | 176.0° | 179.7° |
| C4 | C5 | C6 | N7 | 171.7° | 179.9° |
| C5 | C4 | H11 | H12 | 124.0° | 121.3° |
| C4 | C5 | C6 | H13 | 69.7° | 60.7° |
| C4 | C5 | C6 | H14 | 53.2° | 60.5° |
| C2 | C1 | C5 | C8 | 179.6° | 179.8° |
| C2 | C1 | C5 | C6 | 176.8° | 179.9° |
| C2 | C1 | C8 | N7 | 177.2° | 179.3° |
| C1 | C2 | H9 | H10 | 124.6° | 121.1° |
| C2 | C1 | C8 | H15 | 58.5° | 60.6° |
| C2 | C1 | C8 | H16 | 64.0° | 60.6° |
| C1 | C5 | C6 | N7 | 7.7° | 0.5° |
| C5 | C1 | C8 | N7 | 2.3° | 0.3° |
| C5 | C1 | C2 | H9 | 122.5° | 119.0° |
| C5 | C1 | C2 | H10 | 114.3° | 120.0° |
| C1 | C5 | C4 | H11 | 119.9° | 119.8° |
| C1 | C5 | C4 | H12 | 117.3° | 119.0° |
| C1 | C5 | C6 | H13 | 110.9° | 119.9° |
| C1 | C5 | C6 | H14 | 126.2° | 118.9° |
| C5 | C1 | C8 | H15 | 121.1° | 119.8° |
| C5 | C1 | C8 | H16 | 116.4° | 119.0° |
| C6 | C5 | C1 | C8 | 3.6° | 0.1° |
| C5 | C6 | N7 | H13 | 118.5° | 119.4° |
| C5 | C6 | N7 | H14 | 118.5° | 119.5° |
| C5 | C6 | N7 | C8 | 9.1° | 0.7° |
| C5 | C6 | N7 | C9 | 170.6° | 180.0° |
| C6 | C5 | C4 | H11 | 60.7° | 60.8° |
| C6 | C5 | C4 | H12 | 62.1° | 60.4° |
| C5 | C6 | H13 | H14 | 124.2° | 121.2° |
| C1 | C8 | N7 | C6 | 7.4° | 0.7° |
| C1 | C8 | N7 | H15 | 118.7° | 119.7° |
| C1 | C8 | N7 | H16 | 118.7° | 119.1° |
| C1 | C8 | N7 | C9 | 172.3° | 180.0° |
| C8 | C1 | C2 | H9 | 57.0° | 60.6° |
| C8 | C1 | C2 | H10 | 66.2° | 60.4° |
| C1 | C8 | H15 | H16 | 123.6° | 121.1° |
| C6 | N7 | C8 | C9 | 179.7° | 179.3° |
| C6 | N7 | C9 | O10 | 30.6° | 0.0° |
| C6 | N7 | C9 | C11 | 151.0° | 180.0° |
| N7 | C6 | H13 | H14 | 124.2° | 121.0° |
| C6 | N7 | C8 | H15 | 126.1° | 119.1° |
| C6 | N7 | C8 | H16 | 111.3° | 119.8° |
| C8 | N7 | C9 | O10 | 149.8° | 179.1° |
| C8 | N7 | C9 | C11 | 28.6° | 0.9° |
| C8 | N7 | C6 | H13 | 109.4° | 120.1° |
| C8 | N7 | C6 | H14 | 127.6° | 118.8° |
| N7 | C8 | H15 | H16 | 123.7° | 120.7° |
| N7 | C9 | O10 | C11 | 178.5° | 180.0° |
| N7 | C9 | C11 | N12 | 109.5° | 0.0° |
| N7 | C9 | C11 | C16 | 66.9° | 179.8° |
| C9 | N7 | C6 | H13 | 70.9° | 60.5° |
| C9 | N7 | C6 | H14 | 52.1° | 60.6° |
| C9 | N7 | C8 | H15 | 53.6° | 60.2° |
| C9 | N7 | C8 | H16 | 69.0° | 60.9° |
| O10 | C9 | C11 | N12 | 68.9° | 180.0° |
| O10 | C9 | C11 | C16 | 114.7° | 0.2° |
| C9 | C11 | N12 | C16 | 176.6° | 179.8° |
| C9 | C11 | N12 | C13 | 174.4° | 179.7° |
| C9 | C11 | C16 | F17 | 3.8° | 0.2° |
| C9 | C11 | C16 | C15 | 174.1° | 179.7° |
| C11 | N12 | C13 | C14 | 1.3° | 0.0° |
| N12 | C11 | C16 | F17 | 179.9° | 180.0° |
| N12 | C11 | C16 | C15 | 2.1° | 0.0° |
| C11 | N12 | C13 | H1 | 178.7° | 180.0° |
| C16 | C11 | N12 | C13 | 2.1° | 0.0° |
| C11 | C16 | F17 | C15 | 178.0° | 179.9° |
| C11 | C16 | C15 | C14 | 1.3° | 0.0° |
| C11 | C16 | C15 | H2 | 178.7° | 180.0° |
| N12 | C13 | C14 | H1 | 180.0° | 179.9° |
| N12 | C13 | C14 | C15 | 0.4° | 0.0° |
| N12 | C13 | C14 | S18 | 179.7° | 180.0° |
| O20 | S18 | C14 | C13 | 72.5° | 156.5° |
| O20 | S18 | C14 | C15 | 107.4° | 23.5° |
| O20 | S18 | C14 | O21 | 133.2° | 132.9° |
| O20 | S18 | C14 | N19 | 113.2° | 113.5° |
| O20 | S18 | O21 | N19 | 124.5° | 123.0° |
| O20 | S18 | N19 | H17 | 180.0° | 113.5° |
| O20 | S18 | N19 | H18 | 60.0° | 66.4° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | S18 | 179.9° | 180.0° |
| C13 | C14 | S18 | O21 | 60.8° | 23.6° |
| C13 | C14 | S18 | N19 | 174.3° | 90.0° |
| C13 | C14 | C15 | H2 | 179.6° | 180.0° |
| F17 | C16 | C15 | C14 | 179.3° | 180.0° |
| F17 | C16 | C15 | H2 | 0.7° | 0.0° |
| C16 | C15 | C14 | H2 | 180.0° | 180.0° |
| C16 | C15 | C14 | S18 | 179.7° | 180.0° |
| C15 | C14 | S18 | O21 | 119.4° | 156.4° |
| C15 | C14 | S18 | N19 | 5.8° | 90.0° |
| C15 | C14 | C13 | H1 | 179.6° | 179.9° |
| C14 | S18 | O21 | N19 | 108.8° | 114.1° |
| S18 | C14 | C13 | H1 | 0.3° | 0.0° |
| S18 | C14 | C15 | H2 | 0.3° | 0.0° |
| C14 | S18 | N19 | H17 | 65.9° | 0.0° |
| C14 | S18 | N19 | H18 | 54.1° | 179.9° |
| O21 | S18 | N19 | H17 | 48.0° | 113.6° |
| O21 | S18 | N19 | H18 | 168.1° | 66.5° |
| S18 | N19 | H17 | H18 | 120.0° | 179.9° |
| H3 | C24 | C25 | H5 | 170.4° | 180.0° |
| H3 | C24 | C25 | H6 | 69.7° | 60.0° |
| H4 | C24 | C25 | H5 | 50.3° | 60.1° |
| H4 | C24 | C25 | H6 | 170.2° | 180.0° |
| H7 | C27 | C28 | H8 | 0.1° | 0.0° |
| H22 | C38 | H23 | H24 | 120.0° | 120.0° |
