1PV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C3 | sing | 1.35Å | 1.33Å | |
| O18 | B17 | sing | 1.42Å | 1.37Å | |
| O4 | C3 | doub | 1.22Å | 1.23Å | |
| C3 | C5 | sing | 1.47Å | 1.48Å | |
| B17 | O19 | sing | 1.42Å | 1.37Å | |
| B17 | C16 | sing | 1.57Å | 1.56Å | |
| C32 | C31 | sing | 1.53Å | 1.49Å | |
| C32 | C30 | sing | 1.53Å | 1.49Å | |
| C31 | C30 | sing | 1.53Å | 1.50Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C29 | sing | 1.48Å | 1.48Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
| C16 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C27 | sing | 1.51Å | 1.52Å | |
| C33 | C6 | sing | 1.47Å | 1.47Å | |
| C33 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | O7 | sing | 1.34Å | 1.38Å | Aromatic |
| C36 | F37 | sing | 1.35Å | 1.35Å | |
| C36 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | F21 | sing | 1.35Å | 1.35Å | |
| C20 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | O7 | sing | 1.35Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.41Å | |
| N11 | C12 | sing | 1.47Å | 1.48Å | |
| N11 | S23 | sing | 1.66Å | 1.75Å | |
| O25 | S23 | doub | 1.42Å | 1.43Å | |
| S23 | C24 | sing | 1.81Å | 1.79Å | |
| S23 | O26 | doub | 1.42Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| O19 | H6 | sing | 0.97Å | 0.95Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C35 | H18 | sing | 1.08Å | 1.08Å | |
| C38 | H19 | sing | 1.08Å | 1.08Å | |
| C39 | H20 | sing | 1.08Å | 1.08Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| O18 | H24 | sing | 0.97Å | 0.95Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 120.2° | 120.0° |
| N2 | C1 | H1 | 109.5° | 109.4° |
| N2 | C1 | H2 | 109.4° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C1 | N2 | H21 | 119.9° | 120.0° |
| N2 | C3 | O4 | 120.5° | 120.0° |
| N2 | C3 | C5 | 121.2° | 120.0° |
| C3 | N2 | H21 | 119.9° | 120.0° |
| O18 | B17 | O19 | 116.7° | 120.0° |
| O18 | B17 | C16 | 120.1° | 120.0° |
| B17 | O18 | H24 | 109.5° | 114.0° |
| O4 | C3 | C5 | 118.3° | 120.0° |
| C3 | C5 | C29 | 123.4° | 127.2° |
| C3 | C5 | C6 | 130.0° | 127.3° |
| O19 | B17 | C16 | 116.7° | 120.0° |
| B17 | O19 | H6 | 109.5° | 114.0° |
| B17 | C16 | C15 | 120.9° | 120.2° |
| B17 | C16 | C20 | 119.7° | 120.1° |
| C31 | C32 | C30 | 60.3° | 60.0° |
| C32 | C31 | C30 | 60.0° | 60.0° |
| C32 | C31 | H13 | 120.0° | 117.5° |
| C32 | C31 | H14 | 120.0° | 117.5° |
| C31 | C32 | H15 | 119.9° | 117.5° |
| C31 | C32 | H16 | 119.9° | 117.5° |
| C32 | C30 | C31 | 59.7° | 60.1° |
| C32 | C30 | C27 | 119.3° | 117.5° |
| C32 | C30 | H12 | 115.8° | 117.5° |
| C30 | C32 | H15 | 119.9° | 117.5° |
| C30 | C32 | H16 | 119.9° | 117.6° |
| C31 | C30 | C27 | 119.9° | 117.5° |
| C31 | C30 | H12 | 115.7° | 117.5° |
| C30 | C31 | H13 | 120.0° | 117.5° |
| C30 | C31 | H14 | 120.0° | 117.5° |
| C16 | C15 | C14 | 120.0° | 119.9° |
| C15 | C16 | C20 | 119.3° | 119.7° |
| C16 | C15 | H5 | 120.0° | 120.1° |
| C15 | C14 | C13 | 120.2° | 120.2° |
| C14 | C15 | H5 | 120.0° | 120.0° |
| C15 | C14 | H25 | 119.9° | 119.9° |
| C29 | C5 | C6 | 106.6° | 105.5° |
| C5 | C29 | C28 | 134.4° | 133.9° |
| C5 | C29 | C8 | 106.0° | 105.6° |
| C5 | C6 | C33 | 132.3° | 125.4° |
| C5 | C6 | O7 | 109.7° | 109.3° |
| C16 | C20 | F21 | 121.8° | 120.1° |
| C16 | C20 | C22 | 120.1° | 119.8° |
| C38 | C39 | C33 | 119.6° | 119.8° |
| C39 | C38 | C36 | 120.1° | 120.2° |
| C39 | C38 | H19 | 120.0° | 119.9° |
| C38 | C39 | H20 | 120.2° | 120.1° |
| C39 | C33 | C6 | 121.8° | 120.1° |
| C39 | C33 | C34 | 120.0° | 119.7° |
| C33 | C39 | H20 | 120.2° | 120.1° |
| C29 | C28 | C27 | 120.8° | 119.7° |
| C28 | C29 | C8 | 119.6° | 120.5° |
| C29 | C28 | H11 | 119.6° | 120.2° |
| C28 | C27 | C30 | 120.4° | 119.9° |
| C28 | C27 | C10 | 118.3° | 120.1° |
| C27 | C28 | H11 | 119.6° | 120.1° |
| C38 | C36 | F37 | 120.4° | 119.9° |
| C38 | C36 | C35 | 120.1° | 120.2° |
| C36 | C38 | H19 | 120.0° | 119.9° |
| C29 | C8 | O7 | 108.3° | 108.1° |
| C29 | C8 | C9 | 120.6° | 119.2° |
| C30 | C27 | C10 | 121.4° | 120.0° |
| C27 | C30 | H12 | 115.2° | 115.5° |
| C6 | C33 | C34 | 117.9° | 120.2° |
| C33 | C6 | O7 | 117.8° | 125.3° |
| C33 | C34 | C35 | 120.0° | 119.9° |
| C33 | C34 | H17 | 120.0° | 120.0° |
| C6 | O7 | C8 | 109.4° | 111.4° |
| F37 | C36 | C35 | 119.5° | 119.9° |
| C36 | C35 | C34 | 120.1° | 120.1° |
| C36 | C35 | H18 | 120.0° | 119.9° |
| C14 | C13 | C22 | 119.6° | 120.3° |
| C14 | C13 | C12 | 122.3° | 119.9° |
| C13 | C14 | H25 | 119.9° | 119.9° |
| C27 | C10 | C9 | 120.6° | 120.5° |
| C27 | C10 | N11 | 125.4° | 119.8° |
| F21 | C20 | C22 | 118.1° | 120.1° |
| C20 | C22 | C13 | 120.7° | 120.1° |
| C20 | C22 | H7 | 119.6° | 120.0° |
| C35 | C34 | H17 | 120.0° | 120.1° |
| C34 | C35 | H18 | 119.9° | 120.0° |
| O7 | C8 | C9 | 131.1° | 132.7° |
| C8 | C9 | C10 | 120.1° | 119.9° |
| C8 | C9 | H4 | 120.0° | 120.0° |
| C22 | C13 | C12 | 118.1° | 119.8° |
| C13 | C22 | H7 | 119.7° | 119.9° |
| C13 | C12 | N11 | 112.8° | 109.4° |
| C13 | C12 | H22 | 108.6° | 109.5° |
| C13 | C12 | H23 | 108.7° | 109.5° |
| C9 | C10 | N11 | 114.0° | 119.7° |
| C10 | C9 | H4 | 119.9° | 120.0° |
| C10 | N11 | C12 | 121.4° | 120.0° |
| C10 | N11 | S23 | 115.2° | 120.0° |
| C12 | N11 | S23 | 123.2° | 120.0° |
| N11 | C12 | H22 | 108.7° | 109.5° |
| N11 | C12 | H23 | 108.6° | 109.4° |
| N11 | S23 | O25 | 108.5° | 104.3° |
| N11 | S23 | C24 | 112.6° | 104.4° |
| N11 | S23 | O26 | 108.8° | 104.3° |
| O25 | S23 | C24 | 108.6° | 110.5° |
| O25 | S23 | O26 | 107.6° | 121.0° |
| C24 | S23 | O26 | 110.6° | 110.5° |
| S23 | C24 | H8 | 109.5° | 109.5° |
| S23 | C24 | H9 | 109.5° | 109.5° |
| S23 | C24 | H10 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H13 | C31 | H14 | 109.5° | 115.6° |
| H15 | C32 | H16 | 109.5° | 115.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | H21 | 180.0° | 179.9° |
| C1 | N2 | C3 | O4 | 1.3° | 0.1° |
| C1 | N2 | C3 | C5 | 178.9° | 180.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 119.9° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N2 | C3 | O4 | C5 | 179.9° | 179.9° |
| N2 | C3 | C5 | C29 | 120.2° | 90.0° |
| N2 | C3 | C5 | C6 | 59.2° | 90.2° |
| C3 | N2 | C1 | H1 | 180.0° | 180.0° |
| C3 | N2 | C1 | H2 | 60.0° | 60.0° |
| C3 | N2 | C1 | H3 | 60.0° | 60.1° |
| O18 | B17 | O19 | C16 | 151.7° | 180.0° |
| O18 | B17 | C16 | C15 | 12.5° | 180.0° |
| O18 | B17 | C16 | C20 | 167.1° | 0.2° |
| O18 | B17 | O19 | H6 | 180.0° | 0.0° |
| O4 | C3 | C5 | C29 | 59.6° | 90.0° |
| O4 | C3 | C5 | C6 | 120.9° | 89.7° |
| O4 | C3 | N2 | H21 | 178.7° | 180.0° |
| C3 | C5 | C29 | C6 | 179.5° | 179.8° |
| C3 | C5 | C29 | C28 | 0.4° | 0.0° |
| C3 | C5 | C29 | C8 | 179.5° | 180.0° |
| C3 | C5 | C6 | C33 | 3.9° | 0.1° |
| C3 | C5 | C6 | O7 | 179.1° | 180.0° |
| C5 | C3 | N2 | H21 | 1.2° | 0.1° |
| O19 | B17 | C16 | C15 | 163.1° | 0.0° |
| O19 | B17 | C16 | C20 | 16.5° | 179.7° |
| O19 | B17 | O18 | H24 | 180.0° | 0.1° |
| B17 | C16 | C15 | C20 | 179.6° | 179.7° |
| B17 | C16 | C15 | C14 | 179.8° | 180.0° |
| B17 | C16 | C20 | F21 | 0.8° | 0.3° |
| B17 | C16 | C20 | C22 | 179.8° | 179.7° |
| B17 | C16 | C15 | H5 | 0.2° | 0.3° |
| C16 | B17 | O19 | H6 | 28.3° | 180.0° |
| C16 | B17 | O18 | H24 | 29.4° | 180.0° |
| C31 | C32 | C30 | H15 | 109.6° | 107.5° |
| C31 | C32 | C30 | H16 | 109.6° | 107.5° |
| C32 | C31 | C30 | H13 | 109.5° | 107.5° |
| C32 | C31 | C30 | H14 | 109.5° | 107.5° |
| C31 | C32 | C30 | C27 | 109.5° | 107.5° |
| C31 | C32 | C30 | H12 | 106.0° | 107.5° |
| C32 | C31 | H13 | H14 | 144.8° | 145.7° |
| C31 | C32 | H15 | H16 | 144.6° | 145.6° |
| C32 | C30 | C27 | C28 | 44.3° | 9.3° |
| C32 | C30 | C27 | H12 | 144.7° | 145.7° |
| C32 | C30 | C27 | C10 | 134.8° | 171.2° |
| C30 | C32 | H15 | H16 | 144.6° | 145.8° |
| C31 | C30 | C27 | C28 | 25.5° | 59.4° |
| C31 | C30 | C27 | H12 | 145.5° | 145.6° |
| C31 | C30 | C27 | C10 | 155.3° | 120.0° |
| C30 | C31 | H13 | H14 | 144.7° | 145.7° |
| C16 | C15 | C14 | H5 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.4° | 0.1° |
| C15 | C16 | C20 | F21 | 179.6° | 180.0° |
| C15 | C16 | C20 | C22 | 0.2° | 0.5° |
| C16 | C15 | C14 | H25 | 179.6° | 180.0° |
| C14 | C15 | C16 | C20 | 0.2° | 0.3° |
| C15 | C14 | C13 | H25 | 180.0° | 179.9° |
| C15 | C14 | C13 | C22 | 0.6° | 0.1° |
| C15 | C14 | C13 | C12 | 179.7° | 179.8° |
| C5 | C29 | C28 | C8 | 179.9° | 179.9° |
| C5 | C29 | C28 | C27 | 179.7° | 180.0° |
| C29 | C5 | C6 | C33 | 176.7° | 179.7° |
| C29 | C5 | C6 | O7 | 1.4° | 0.2° |
| C5 | C29 | C8 | O7 | 0.2° | 0.2° |
| C5 | C29 | C8 | C9 | 180.0° | 179.8° |
| C5 | C29 | C28 | H11 | 0.3° | 0.0° |
| C5 | C6 | C33 | C39 | 29.1° | 0.4° |
| C6 | C5 | C29 | C28 | 179.1° | 179.8° |
| C6 | C5 | C29 | C8 | 0.9° | 0.3° |
| C5 | C6 | C33 | O7 | 175.0° | 179.9° |
| C5 | C6 | C33 | C34 | 157.1° | 180.0° |
| C5 | C6 | O7 | C8 | 1.3° | 0.1° |
| C16 | C20 | F21 | C22 | 179.5° | 179.5° |
| C16 | C20 | C22 | C13 | 0.3° | 0.5° |
| C20 | C16 | C15 | H5 | 179.8° | 180.0° |
| C16 | C20 | C22 | H7 | 179.6° | 179.5° |
| C38 | C39 | C33 | H20 | 180.0° | 179.3° |
| C39 | C38 | C36 | H19 | 180.0° | 179.8° |
| C38 | C39 | C33 | C6 | 176.9° | 179.7° |
| C38 | C39 | C33 | C34 | 3.2° | 0.6° |
| C39 | C38 | C36 | F37 | 180.0° | 179.7° |
| C39 | C38 | C36 | C35 | 0.5° | 0.2° |
| C33 | C39 | C38 | C36 | 1.8° | 0.6° |
| C39 | C33 | C6 | C34 | 173.8° | 179.6° |
| C39 | C33 | C6 | O7 | 145.9° | 179.7° |
| C39 | C33 | C34 | C35 | 3.4° | 0.3° |
| C39 | C33 | C34 | H17 | 176.6° | 179.7° |
| C33 | C39 | C38 | H19 | 178.2° | 179.6° |
| C29 | C28 | C27 | H11 | 180.0° | 180.0° |
| C29 | C28 | C27 | C30 | 180.0° | 179.8° |
| C29 | C28 | C27 | C10 | 0.8° | 0.4° |
| C28 | C29 | C8 | O7 | 179.9° | 179.9° |
| C28 | C29 | C8 | C9 | 0.0° | 0.1° |
| C27 | C28 | C29 | C8 | 0.3° | 0.0° |
| C28 | C27 | C30 | C10 | 179.2° | 179.4° |
| C28 | C27 | C10 | C9 | 1.2° | 0.6° |
| C28 | C27 | C10 | N11 | 179.4° | 180.0° |
| C28 | C27 | C30 | H12 | 171.0° | 155.0° |
| C38 | C36 | F37 | C35 | 179.5° | 179.9° |
| C38 | C36 | C35 | C34 | 0.6° | 0.1° |
| C38 | C36 | C35 | H18 | 179.4° | 180.0° |
| C36 | C38 | C39 | H20 | 178.2° | 179.9° |
| C29 | C8 | O7 | C6 | 0.7° | 0.0° |
| C29 | C8 | O7 | C9 | 179.8° | 180.0° |
| C29 | C8 | C9 | C10 | 0.3° | 0.0° |
| C29 | C8 | C9 | H4 | 179.7° | 180.0° |
| C8 | C29 | C28 | H11 | 179.8° | 179.9° |
| C30 | C27 | C10 | C9 | 179.7° | 180.0° |
| C30 | C27 | C10 | N11 | 1.4° | 0.5° |
| C30 | C27 | C28 | H11 | 0.0° | 0.2° |
| C27 | C30 | C31 | H13 | 142.0° | 0.1° |
| C27 | C30 | C31 | H14 | 0.9° | 145.0° |
| C27 | C30 | C32 | H15 | 0.0° | 145.0° |
| C27 | C30 | C32 | H16 | 140.9° | 0.0° |
| C6 | C33 | C34 | C35 | 177.3° | 180.0° |
| C33 | C6 | O7 | C8 | 177.4° | 179.8° |
| C6 | C33 | C34 | H17 | 2.7° | 0.1° |
| C6 | C33 | C39 | H20 | 3.1° | 0.4° |
| C34 | C33 | C6 | O7 | 27.9° | 0.1° |
| C33 | C34 | C35 | C36 | 2.1° | 0.0° |
| C33 | C34 | C35 | H17 | 180.0° | 180.0° |
| C33 | C34 | C35 | H18 | 177.9° | 180.0° |
| C34 | C33 | C39 | H20 | 176.7° | 180.0° |
| C6 | O7 | C8 | C9 | 179.2° | 180.0° |
| F37 | C36 | C35 | C34 | 179.9° | 180.0° |
| F37 | C36 | C35 | H18 | 0.1° | 0.1° |
| F37 | C36 | C38 | H19 | 0.0° | 0.1° |
| C36 | C35 | C34 | H18 | 180.0° | 179.9° |
| C36 | C35 | C34 | H17 | 177.9° | 180.0° |
| C35 | C36 | C38 | H19 | 179.5° | 180.0° |
| C14 | C13 | C22 | C20 | 0.6° | 0.3° |
| C14 | C13 | C22 | C12 | 179.2° | 179.7° |
| C14 | C13 | C12 | N11 | 102.1° | 89.7° |
| C13 | C14 | C15 | H5 | 179.6° | 179.8° |
| C14 | C13 | C22 | H7 | 179.4° | 179.7° |
| C14 | C13 | C12 | H22 | 18.4° | 30.3° |
| C14 | C13 | C12 | H23 | 137.5° | 150.3° |
| C27 | C10 | C9 | C8 | 0.9° | 0.4° |
| C27 | C10 | C9 | N11 | 178.5° | 179.4° |
| C27 | C10 | N11 | C12 | 92.8° | 95.0° |
| C27 | C10 | N11 | S23 | 92.9° | 85.0° |
| C27 | C10 | C9 | H4 | 179.1° | 179.7° |
| C10 | C27 | C28 | H11 | 179.2° | 179.6° |
| C10 | C27 | C30 | H12 | 9.8° | 25.6° |
| F21 | C20 | C22 | C13 | 179.8° | 180.0° |
| F21 | C20 | C22 | H7 | 0.2° | 0.0° |
| C20 | C22 | C13 | H7 | 180.0° | 180.0° |
| C20 | C22 | C13 | C12 | 179.7° | 180.0° |
| O7 | C8 | C9 | C10 | 179.5° | 180.0° |
| O7 | C8 | C9 | H4 | 0.5° | 0.0° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | N11 | 179.4° | 179.8° |
| C22 | C13 | C12 | N11 | 78.8° | 90.0° |
| C22 | C13 | C12 | H22 | 160.7° | 150.0° |
| C22 | C13 | C12 | H23 | 41.7° | 30.0° |
| C22 | C13 | C14 | H25 | 179.4° | 180.0° |
| C13 | C12 | N11 | C10 | 71.8° | 85.0° |
| C13 | C12 | N11 | H22 | 120.5° | 120.0° |
| C13 | C12 | N11 | H23 | 120.5° | 120.0° |
| C13 | C12 | N11 | S23 | 114.4° | 95.0° |
| C12 | C13 | C22 | H7 | 0.3° | 0.0° |
| C13 | C12 | H22 | H23 | 118.5° | 120.0° |
| C12 | C13 | C14 | H25 | 0.3° | 0.3° |
| C9 | C10 | N11 | C12 | 88.8° | 84.4° |
| C9 | C10 | N11 | S23 | 85.4° | 95.6° |
| C10 | N11 | C12 | S23 | 173.8° | 180.0° |
| C10 | N11 | S23 | O25 | 11.2° | 26.0° |
| C10 | N11 | S23 | C24 | 131.4° | 90.0° |
| C10 | N11 | S23 | O26 | 105.6° | 153.9° |
| N11 | C10 | C9 | H4 | 0.6° | 0.2° |
| C10 | N11 | C12 | H22 | 48.7° | 35.0° |
| C10 | N11 | C12 | H23 | 167.7° | 155.0° |
| C12 | N11 | S23 | O25 | 174.7° | 154.0° |
| C12 | N11 | S23 | C24 | 54.5° | 90.0° |
| C12 | N11 | S23 | O26 | 68.5° | 26.1° |
| N11 | C12 | H22 | H23 | 118.5° | 120.0° |
| N11 | S23 | O25 | C24 | 122.7° | 111.7° |
| N11 | S23 | O25 | O26 | 117.5° | 116.8° |
| N11 | S23 | C24 | O26 | 122.0° | 111.7° |
| N11 | S23 | C24 | H8 | 180.0° | 51.6° |
| N11 | S23 | C24 | H9 | 60.0° | 171.6° |
| N11 | S23 | C24 | H10 | 60.0° | 68.4° |
| S23 | N11 | C12 | H22 | 125.1° | 145.0° |
| S23 | N11 | C12 | H23 | 6.1° | 25.0° |
| O25 | S23 | C24 | O26 | 117.9° | 136.7° |
| O25 | S23 | C24 | H8 | 59.8° | 163.2° |
| O25 | S23 | C24 | H9 | 179.8° | 76.8° |
| O25 | S23 | C24 | H10 | 60.2° | 43.2° |
| S23 | C24 | H8 | H9 | 120.0° | 120.0° |
| S23 | C24 | H8 | H10 | 120.0° | 120.1° |
| S23 | C24 | H9 | H10 | 120.0° | 120.0° |
| O26 | S23 | C24 | H8 | 58.0° | 60.0° |
| O26 | S23 | C24 | H9 | 62.0° | 60.0° |
| O26 | S23 | C24 | H10 | 178.1° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N2 | H21 | 0.0° | 0.1° |
| H2 | C1 | N2 | H21 | 120.0° | 120.0° |
| H3 | C1 | N2 | H21 | 120.0° | 120.0° |
| H5 | C15 | C14 | H25 | 0.4° | 0.3° |
| H8 | C24 | H9 | H10 | 120.0° | 120.0° |
| H12 | C30 | C31 | H13 | 3.4° | 145.0° |
| H12 | C30 | C31 | H14 | 144.4° | 0.1° |
| H12 | C30 | C32 | H15 | 144.4° | 0.1° |
| H12 | C30 | C32 | H16 | 3.6° | 145.0° |
| H13 | C31 | C32 | H15 | 141.0° | 145.0° |
| H13 | C31 | C32 | H16 | 0.1° | 0.0° |
| H14 | C31 | C32 | H15 | 0.1° | 0.0° |
| H14 | C31 | C32 | H16 | 141.0° | 145.0° |
| H17 | C34 | C35 | H18 | 2.1° | 0.0° |
| H19 | C38 | C39 | H20 | 1.8° | 0.3° |
