916
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C32 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C19 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C8 | sing | 1.53Å | 1.52Å | |
| O1 | C9 | sing | 1.43Å | 1.44Å | |
| C19 | C18 | doub | 1.33Å | 1.44Å | Aromatic |
| C19 | S20 | sing | 1.76Å | 1.77Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | N7 | sing | 1.46Å | 1.50Å | |
| C18 | C17 | sing | 1.39Å | 1.46Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| S20 | C16 | sing | 1.76Å | 1.67Å | Aromatic |
| N7 | C6 | sing | 1.35Å | 1.35Å | |
| O21 | C6 | doub | 1.21Å | 1.22Å | |
| C10 | N11 | sing | 1.47Å | 1.45Å | |
| C17 | C16 | doub | 1.35Å | 1.46Å | Aromatic |
| C17 | C12 | sing | 1.52Å | 1.48Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C16 | O14 | sing | 1.37Å | 1.36Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| O14 | C2 | sing | 1.43Å | 1.45Å | |
| C15 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N7 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N11 | H17 | sing | 1.01Å | 1.00Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C31 | 107.7° | 109.5° |
| C30 | C29 | C28 | 110.9° | 109.5° |
| C30 | C29 | C32 | 108.2° | 109.5° |
| C29 | C30 | H37 | 109.5° | 109.5° |
| C29 | C30 | H38 | 109.5° | 109.5° |
| C29 | C30 | H39 | 109.5° | 109.5° |
| C26 | C25 | C24 | 118.9° | 120.0° |
| C25 | C26 | C27 | 121.7° | 120.0° |
| C25 | C26 | H9 | 119.1° | 120.0° |
| C26 | C25 | H10 | 120.5° | 120.0° |
| C25 | C24 | C23 | 120.4° | 120.0° |
| C24 | C25 | H10 | 120.6° | 120.0° |
| C25 | C24 | H11 | 119.8° | 120.0° |
| C31 | C29 | C28 | 110.5° | 109.5° |
| C31 | C29 | C32 | 106.8° | 109.5° |
| C29 | C31 | H34 | 109.5° | 109.4° |
| C29 | C31 | H35 | 109.4° | 109.5° |
| C29 | C31 | H36 | 109.5° | 109.5° |
| C28 | C29 | C32 | 112.6° | 109.4° |
| C29 | C28 | C19 | 113.2° | 109.5° |
| C29 | C28 | H29 | 108.5° | 109.4° |
| C29 | C28 | H30 | 108.5° | 109.5° |
| C29 | C32 | H31 | 109.5° | 109.5° |
| C29 | C32 | H32 | 109.5° | 109.5° |
| C29 | C32 | H33 | 109.5° | 109.5° |
| C26 | C27 | C22 | 119.0° | 120.0° |
| C26 | C27 | H8 | 120.5° | 120.0° |
| C27 | C26 | H9 | 119.1° | 119.9° |
| C24 | C23 | C22 | 119.8° | 120.0° |
| C23 | C24 | H11 | 119.8° | 120.0° |
| C24 | C23 | H12 | 120.1° | 120.0° |
| C28 | C19 | C18 | 130.2° | 125.1° |
| C28 | C19 | S20 | 116.7° | 125.2° |
| C19 | C28 | H29 | 108.5° | 109.5° |
| C19 | C28 | H30 | 108.5° | 109.5° |
| C23 | C22 | C27 | 120.1° | 119.9° |
| C23 | C22 | C13 | 121.2° | 120.0° |
| C22 | C23 | H12 | 120.1° | 119.9° |
| C27 | C22 | C13 | 118.6° | 120.0° |
| C22 | C27 | H8 | 120.5° | 119.9° |
| C22 | C13 | C8 | 114.0° | 109.5° |
| C22 | C13 | H6 | 108.3° | 109.5° |
| C22 | C13 | H7 | 108.3° | 109.5° |
| C13 | C8 | C9 | 112.1° | 109.5° |
| C13 | C8 | N7 | 103.3° | 109.5° |
| C13 | C8 | H5 | 111.3° | 109.4° |
| C8 | C13 | H6 | 108.3° | 109.4° |
| C8 | C13 | H7 | 108.3° | 109.4° |
| O1 | C9 | C8 | 111.6° | 109.5° |
| O1 | C9 | C10 | 106.9° | 109.5° |
| O1 | C9 | H13 | 110.5° | 109.5° |
| C9 | O1 | H14 | 109.5° | 114.0° |
| C18 | C19 | S20 | 113.2° | 109.7° |
| C19 | C18 | C17 | 107.6° | 115.6° |
| C19 | C18 | H28 | 126.2° | 122.2° |
| C19 | S20 | C16 | 92.9° | 91.1° |
| C9 | C8 | N7 | 107.5° | 109.5° |
| C8 | C9 | C10 | 109.6° | 109.5° |
| C9 | C8 | H5 | 110.8° | 109.5° |
| C8 | C9 | H13 | 108.9° | 109.5° |
| C8 | N7 | C6 | 119.6° | 120.0° |
| C8 | N7 | H4 | 120.2° | 120.0° |
| N7 | C8 | H5 | 111.6° | 109.5° |
| C18 | C17 | C16 | 114.7° | 113.6° |
| C18 | C17 | C12 | 121.6° | 124.5° |
| C17 | C18 | H28 | 126.2° | 122.2° |
| C9 | C10 | N11 | 108.2° | 109.5° |
| C10 | C9 | H13 | 109.3° | 109.5° |
| C9 | C10 | H15 | 109.8° | 109.5° |
| C9 | C10 | H16 | 109.8° | 109.5° |
| S20 | C16 | C17 | 111.6° | 109.9° |
| S20 | C16 | O14 | 125.7° | 126.0° |
| N7 | C6 | O21 | 121.4° | 120.0° |
| N7 | C6 | C5 | 119.8° | 120.0° |
| C6 | N7 | H4 | 120.2° | 120.0° |
| O21 | C6 | C5 | 118.8° | 120.0° |
| C10 | N11 | C12 | 119.0° | 111.0° |
| N11 | C10 | H15 | 109.8° | 109.4° |
| N11 | C10 | H16 | 109.8° | 109.5° |
| C10 | N11 | H17 | 107.0° | 111.0° |
| C16 | C17 | C12 | 123.7° | 121.9° |
| C17 | C16 | O14 | 122.8° | 124.1° |
| C17 | C12 | N11 | 110.8° | 109.7° |
| C17 | C12 | C15 | 106.1° | 107.9° |
| C17 | C12 | H19 | 111.3° | 109.8° |
| C6 | C5 | H1 | 109.5° | 109.5° |
| C6 | C5 | H2 | 109.5° | 109.5° |
| C6 | C5 | H3 | 109.5° | 109.4° |
| C16 | O14 | C2 | 115.7° | 115.5° |
| N11 | C12 | C15 | 106.8° | 109.8° |
| C12 | N11 | H17 | 107.0° | 111.0° |
| N11 | C12 | H19 | 111.2° | 109.7° |
| C12 | C15 | C2 | 112.7° | 109.2° |
| C15 | C12 | H19 | 110.5° | 109.8° |
| C12 | C15 | H20 | 108.7° | 109.5° |
| C12 | C15 | H21 | 108.6° | 109.5° |
| O14 | C2 | C15 | 108.8° | 109.1° |
| O14 | C2 | C3 | 109.0° | 109.5° |
| O14 | C2 | C4 | 107.0° | 109.6° |
| C15 | C2 | C3 | 110.9° | 109.5° |
| C15 | C2 | C4 | 106.6° | 109.5° |
| C2 | C15 | H20 | 108.7° | 109.6° |
| C2 | C15 | H21 | 108.7° | 109.5° |
| C3 | C2 | C4 | 114.4° | 109.5° |
| C2 | C3 | H25 | 109.5° | 109.5° |
| C2 | C3 | H26 | 109.5° | 109.4° |
| C2 | C3 | H27 | 109.5° | 109.5° |
| C2 | C4 | H22 | 109.5° | 109.5° |
| C2 | C4 | H23 | 109.5° | 109.5° |
| C2 | C4 | H24 | 109.5° | 109.5° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.6° |
| H22 | C4 | H23 | 109.5° | 109.5° |
| H22 | C4 | H24 | 109.5° | 109.4° |
| H23 | C4 | H24 | 109.4° | 109.4° |
| H25 | C3 | H26 | 109.5° | 109.4° |
| H25 | C3 | H27 | 109.4° | 109.5° |
| H26 | C3 | H27 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.4° | 109.4° |
| H31 | C32 | H33 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H34 | C31 | H36 | 109.4° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H37 | C30 | H38 | 109.4° | 109.5° |
| H37 | C30 | H39 | 109.5° | 109.4° |
| H38 | C30 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C31 | C28 | 121.2° | 120.0° |
| C30 | C29 | C31 | C32 | 116.0° | 120.0° |
| C30 | C29 | C28 | C32 | 121.4° | 120.0° |
| C30 | C29 | C28 | C19 | 174.8° | 180.0° |
| C30 | C29 | C28 | H29 | 54.2° | 60.0° |
| C30 | C29 | C28 | H30 | 64.6° | 59.9° |
| C30 | C29 | C32 | H31 | 180.0° | 60.0° |
| C30 | C29 | C32 | H32 | 60.0° | 60.0° |
| C30 | C29 | C32 | H33 | 60.0° | 180.0° |
| C30 | C29 | C31 | H34 | 180.0° | 60.0° |
| C30 | C29 | C31 | H35 | 60.0° | 60.0° |
| C30 | C29 | C31 | H36 | 60.0° | 180.0° |
| C29 | C30 | H37 | H38 | 120.0° | 120.0° |
| C29 | C30 | H37 | H39 | 120.0° | 120.0° |
| C29 | C30 | H38 | H39 | 120.0° | 120.0° |
| C26 | C25 | C24 | H10 | 180.0° | 179.9° |
| C25 | C26 | C27 | H9 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 1.9° | 0.2° |
| C25 | C26 | C27 | C22 | 1.7° | 0.1° |
| C25 | C26 | C27 | H8 | 178.3° | 180.0° |
| C26 | C25 | C24 | H11 | 178.1° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.1° |
| C25 | C24 | C23 | H11 | 180.0° | 179.8° |
| C25 | C24 | C23 | C22 | 1.6° | 0.5° |
| C24 | C25 | C26 | H9 | 179.7° | 180.0° |
| C25 | C24 | C23 | H12 | 178.4° | 180.0° |
| C31 | C29 | C28 | C32 | 119.4° | 120.0° |
| C31 | C29 | C28 | C19 | 55.5° | 60.0° |
| C31 | C29 | C28 | H29 | 65.0° | 60.0° |
| C31 | C29 | C28 | H30 | 176.1° | 180.0° |
| C31 | C29 | C32 | H31 | 64.3° | 60.0° |
| C31 | C29 | C32 | H32 | 175.7° | 180.0° |
| C31 | C29 | C32 | H33 | 55.7° | 60.0° |
| C29 | C31 | H34 | H35 | 120.0° | 120.0° |
| C29 | C31 | H34 | H36 | 120.0° | 120.0° |
| C29 | C31 | H35 | H36 | 120.0° | 120.0° |
| C31 | C29 | C30 | H37 | 180.0° | 60.0° |
| C31 | C29 | C30 | H38 | 60.0° | 180.0° |
| C31 | C29 | C30 | H39 | 60.0° | 60.0° |
| C29 | C28 | C19 | H29 | 120.5° | 119.9° |
| C29 | C28 | C19 | H30 | 120.6° | 120.1° |
| C29 | C28 | C19 | C18 | 88.1° | 90.1° |
| C29 | C28 | C19 | S20 | 92.1° | 89.9° |
| C29 | C28 | H29 | H30 | 118.3° | 120.0° |
| C28 | C29 | C32 | H31 | 57.1° | 180.0° |
| C28 | C29 | C32 | H32 | 62.9° | 60.0° |
| C28 | C29 | C32 | H33 | 177.1° | 60.0° |
| C28 | C29 | C31 | H34 | 58.8° | 60.0° |
| C28 | C29 | C31 | H35 | 178.8° | 180.0° |
| C28 | C29 | C31 | H36 | 61.2° | 60.0° |
| C28 | C29 | C30 | H37 | 59.1° | 60.0° |
| C28 | C29 | C30 | H38 | 60.9° | 60.0° |
| C28 | C29 | C30 | H39 | 179.1° | 180.0° |
| C32 | C29 | C28 | C19 | 63.8° | 60.0° |
| C32 | C29 | C28 | H29 | 175.6° | 180.0° |
| C32 | C29 | C28 | H30 | 56.7° | 60.0° |
| C29 | C32 | H31 | H32 | 120.0° | 120.0° |
| C29 | C32 | H31 | H33 | 120.0° | 120.0° |
| C29 | C32 | H32 | H33 | 120.0° | 120.0° |
| C32 | C29 | C31 | H34 | 64.0° | 180.0° |
| C32 | C29 | C31 | H35 | 56.0° | 60.0° |
| C32 | C29 | C31 | H36 | 176.1° | 60.0° |
| C32 | C29 | C30 | H37 | 64.9° | 180.0° |
| C32 | C29 | C30 | H38 | 175.1° | 60.0° |
| C32 | C29 | C30 | H39 | 55.1° | 60.0° |
| C26 | C27 | C22 | C23 | 2.0° | 0.2° |
| C26 | C27 | C22 | H8 | 180.0° | 180.0° |
| C26 | C27 | C22 | C13 | 179.6° | 180.0° |
| C27 | C26 | C25 | H10 | 179.7° | 180.0° |
| C24 | C23 | C22 | H12 | 180.0° | 179.5° |
| C24 | C23 | C22 | C27 | 0.4° | 0.5° |
| C24 | C23 | C22 | C13 | 178.8° | 179.7° |
| C23 | C24 | C25 | H10 | 178.1° | 179.7° |
| C28 | C19 | C18 | S20 | 179.9° | 180.0° |
| C28 | C19 | C18 | C17 | 179.6° | 180.0° |
| C28 | C19 | S20 | C16 | 178.9° | 180.0° |
| C28 | C19 | C18 | H28 | 0.4° | 0.0° |
| C19 | C28 | H29 | H30 | 118.3° | 120.0° |
| C23 | C22 | C27 | C13 | 178.4° | 179.8° |
| C23 | C22 | C13 | C8 | 37.5° | 90.2° |
| C23 | C22 | C13 | H6 | 83.1° | 149.8° |
| C23 | C22 | C13 | H7 | 158.2° | 29.7° |
| C23 | C22 | C27 | H8 | 178.0° | 179.7° |
| C22 | C23 | C24 | H11 | 178.4° | 179.7° |
| C27 | C22 | C13 | C8 | 140.9° | 90.0° |
| C27 | C22 | C13 | H6 | 98.5° | 30.0° |
| C27 | C22 | C13 | H7 | 20.2° | 150.0° |
| C22 | C27 | C26 | H9 | 178.4° | 180.0° |
| C27 | C22 | C23 | H12 | 179.6° | 180.0° |
| C22 | C13 | C8 | H6 | 120.7° | 120.0° |
| C22 | C13 | C8 | H7 | 120.7° | 120.0° |
| C22 | C13 | C8 | C9 | 175.9° | 175.0° |
| C22 | C13 | C8 | N7 | 60.5° | 65.0° |
| C22 | C13 | C8 | H5 | 59.4° | 55.0° |
| C22 | C13 | H6 | H7 | 117.9° | 120.0° |
| C13 | C22 | C27 | H8 | 0.4° | 0.1° |
| C13 | C22 | C23 | H12 | 1.2° | 0.2° |
| C13 | C8 | C9 | O1 | 62.6° | 60.0° |
| C13 | C8 | C9 | N7 | 112.8° | 120.0° |
| C13 | C8 | C9 | H5 | 125.0° | 119.9° |
| C13 | C8 | N7 | H5 | 119.7° | 119.9° |
| C13 | C8 | C9 | C10 | 179.1° | 180.0° |
| C13 | C8 | N7 | C6 | 132.0° | 60.0° |
| C13 | C8 | N7 | H4 | 47.9° | 120.0° |
| C8 | C13 | H6 | H7 | 117.9° | 120.0° |
| C13 | C8 | C9 | H13 | 59.6° | 60.0° |
| O1 | C9 | C8 | C10 | 118.3° | 120.0° |
| O1 | C9 | C8 | H13 | 122.3° | 120.0° |
| O1 | C9 | C8 | N7 | 175.5° | 180.0° |
| O1 | C9 | C10 | H13 | 119.6° | 120.0° |
| O1 | C9 | C10 | N11 | 56.9° | 65.0° |
| O1 | C9 | C8 | H5 | 62.4° | 60.0° |
| O1 | C9 | C10 | H15 | 176.7° | 175.0° |
| O1 | C9 | C10 | H16 | 62.9° | 55.0° |
| C19 | C18 | C17 | H28 | 180.0° | 180.0° |
| C18 | C19 | S20 | C16 | 1.3° | 0.0° |
| C19 | C18 | C17 | C16 | 0.6° | 0.0° |
| C19 | C18 | C17 | C12 | 178.5° | 180.0° |
| C18 | C19 | C28 | H29 | 32.5° | 150.0° |
| C18 | C19 | C28 | H30 | 151.4° | 30.0° |
| S20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C19 | S20 | C16 | C17 | 1.6° | 0.1° |
| C19 | S20 | C16 | O14 | 178.7° | 179.9° |
| S20 | C19 | C18 | H28 | 179.4° | 180.0° |
| S20 | C19 | C28 | H29 | 147.4° | 30.0° |
| S20 | C19 | C28 | H30 | 28.5° | 150.0° |
| C9 | C8 | N7 | H5 | 121.7° | 120.0° |
| C8 | C9 | C10 | H13 | 119.2° | 120.0° |
| C9 | C8 | N7 | C6 | 109.3° | 60.0° |
| C8 | C9 | C10 | N11 | 178.1° | 175.0° |
| C9 | C8 | N7 | H4 | 70.7° | 120.0° |
| C9 | C8 | C13 | H6 | 63.4° | 65.0° |
| C9 | C8 | C13 | H7 | 55.2° | 55.0° |
| C8 | C9 | O1 | H14 | 180.0° | 60.0° |
| C8 | C9 | C10 | H15 | 62.2° | 55.0° |
| C8 | C9 | C10 | H16 | 58.2° | 65.0° |
| N7 | C8 | C9 | C10 | 66.3° | 60.0° |
| C8 | N7 | C6 | H4 | 180.0° | 180.0° |
| C8 | N7 | C6 | O21 | 0.6° | 0.1° |
| C8 | N7 | C6 | C5 | 178.3° | 179.7° |
| N7 | C8 | C13 | H6 | 178.9° | 55.0° |
| N7 | C8 | C13 | H7 | 60.2° | 175.0° |
| N7 | C8 | C9 | H13 | 53.2° | 60.0° |
| C18 | C17 | C16 | S20 | 1.6° | 0.1° |
| C18 | C17 | C16 | C12 | 179.1° | 180.0° |
| C18 | C17 | C16 | O14 | 178.6° | 179.9° |
| C18 | C17 | C12 | N11 | 48.2° | 43.1° |
| C18 | C17 | C12 | C15 | 163.7° | 162.7° |
| C18 | C17 | C12 | H19 | 76.1° | 77.7° |
| C9 | C10 | N11 | H15 | 119.8° | 120.1° |
| C9 | C10 | N11 | H16 | 119.8° | 120.0° |
| C9 | C10 | N11 | C12 | 153.7° | 174.8° |
| C10 | C9 | C8 | H5 | 55.9° | 60.1° |
| C10 | C9 | O1 | H14 | 60.1° | 60.0° |
| C9 | C10 | H15 | H16 | 120.6° | 120.0° |
| C9 | C10 | N11 | H17 | 32.4° | 61.3° |
| S20 | C16 | C17 | O14 | 179.8° | 180.0° |
| S20 | C16 | C17 | C12 | 177.5° | 180.0° |
| S20 | C16 | O14 | C2 | 166.4° | 163.9° |
| N7 | C6 | O21 | C5 | 177.7° | 179.7° |
| N7 | C6 | C5 | H1 | 177.7° | 179.7° |
| N7 | C6 | C5 | H2 | 62.3° | 59.7° |
| N7 | C6 | C5 | H3 | 57.7° | 60.3° |
| C6 | N7 | C8 | H5 | 12.4° | 180.0° |
| O21 | C6 | C5 | H1 | 0.0° | 0.0° |
| O21 | C6 | C5 | H2 | 120.0° | 120.0° |
| O21 | C6 | C5 | H3 | 120.0° | 120.1° |
| O21 | C6 | N7 | H4 | 179.3° | 179.9° |
| C10 | N11 | C12 | C17 | 49.0° | 155.5° |
| C10 | N11 | C12 | H17 | 121.3° | 123.9° |
| C10 | N11 | C12 | C15 | 66.1° | 86.0° |
| N11 | C10 | C9 | H13 | 62.7° | 55.0° |
| N11 | C10 | H15 | H16 | 120.6° | 119.9° |
| C10 | N11 | C12 | H19 | 173.3° | 34.8° |
| C16 | C17 | C12 | N11 | 130.9° | 137.0° |
| C16 | C17 | C12 | C15 | 15.3° | 17.3° |
| C17 | C16 | O14 | C2 | 13.8° | 16.1° |
| C16 | C17 | C12 | H19 | 104.9° | 102.3° |
| C16 | C17 | C18 | H28 | 179.4° | 180.0° |
| C12 | C17 | C16 | O14 | 2.2° | 0.0° |
| C17 | C12 | N11 | C15 | 115.1° | 118.5° |
| C17 | C12 | N11 | H19 | 124.3° | 120.8° |
| C17 | C12 | C15 | H19 | 120.8° | 119.7° |
| C17 | C12 | C15 | C2 | 47.3° | 47.9° |
| C17 | C12 | N11 | H17 | 72.4° | 80.6° |
| C17 | C12 | C15 | H20 | 167.9° | 167.9° |
| C17 | C12 | C15 | H21 | 73.1° | 72.0° |
| C12 | C17 | C18 | H28 | 1.5° | 0.0° |
| C6 | C5 | H1 | H2 | 120.0° | 120.1° |
| C6 | C5 | H1 | H3 | 120.0° | 120.0° |
| C6 | C5 | H2 | H3 | 120.0° | 119.9° |
| C5 | C6 | N7 | H4 | 1.7° | 0.3° |
| C16 | O14 | C2 | C15 | 44.9° | 48.1° |
| C16 | O14 | C2 | C3 | 76.1° | 71.8° |
| C16 | O14 | C2 | C4 | 159.7° | 168.0° |
| N11 | C12 | C15 | H19 | 121.0° | 120.7° |
| N11 | C12 | C15 | C2 | 165.6° | 167.5° |
| C12 | N11 | C10 | H15 | 86.5° | 54.7° |
| C12 | N11 | C10 | H16 | 33.9° | 65.2° |
| N11 | C12 | C15 | H20 | 73.9° | 72.5° |
| N11 | C12 | C15 | H21 | 45.1° | 47.6° |
| C12 | C15 | C2 | O14 | 65.1° | 65.5° |
| C12 | C15 | C2 | H20 | 120.5° | 119.9° |
| C12 | C15 | C2 | H21 | 120.5° | 119.9° |
| C12 | C15 | C2 | C3 | 54.8° | 54.4° |
| C12 | C15 | C2 | C4 | 179.9° | 174.5° |
| C15 | C12 | N11 | H17 | 172.5° | 37.9° |
| C12 | C15 | H20 | H21 | 118.5° | 120.1° |
| O14 | C2 | C15 | C3 | 119.9° | 119.9° |
| O14 | C2 | C15 | C4 | 115.1° | 120.0° |
| O14 | C2 | C3 | C4 | 119.7° | 120.3° |
| O14 | C2 | C15 | H20 | 174.4° | 174.6° |
| O14 | C2 | C15 | H21 | 55.4° | 54.4° |
| O14 | C2 | C4 | H22 | 180.0° | 59.7° |
| O14 | C2 | C4 | H23 | 60.0° | 60.4° |
| O14 | C2 | C4 | H24 | 60.0° | 179.7° |
| O14 | C2 | C3 | H25 | 180.0° | 179.6° |
| O14 | C2 | C3 | H26 | 60.0° | 60.4° |
| O14 | C2 | C3 | H27 | 60.0° | 59.6° |
| C15 | C2 | C3 | C4 | 120.5° | 120.1° |
| C2 | C15 | C12 | H19 | 73.4° | 71.8° |
| C2 | C15 | H20 | H21 | 118.5° | 120.2° |
| C15 | C2 | C4 | H22 | 63.8° | 60.0° |
| C15 | C2 | C4 | H23 | 56.3° | 179.9° |
| C15 | C2 | C4 | H24 | 176.2° | 60.0° |
| C15 | C2 | C3 | H25 | 60.3° | 60.0° |
| C15 | C2 | C3 | H26 | 179.7° | 180.0° |
| C15 | C2 | C3 | H27 | 59.7° | 60.0° |
| C3 | C2 | C15 | H20 | 65.7° | 65.5° |
| C3 | C2 | C15 | H21 | 175.3° | 174.3° |
| C3 | C2 | C4 | H22 | 59.1° | 179.9° |
| C3 | C2 | C4 | H23 | 179.2° | 59.8° |
| C3 | C2 | C4 | H24 | 60.9° | 60.1° |
| C2 | C3 | H25 | H26 | 120.0° | 119.9° |
| C2 | C3 | H25 | H27 | 120.0° | 120.1° |
| C2 | C3 | H26 | H27 | 120.0° | 120.0° |
| C4 | C2 | C15 | H20 | 59.4° | 54.6° |
| C4 | C2 | C15 | H21 | 59.6° | 65.6° |
| C2 | C4 | H22 | H23 | 120.0° | 120.0° |
| C2 | C4 | H22 | H24 | 120.0° | 120.1° |
| C2 | C4 | H23 | H24 | 120.0° | 120.0° |
| C4 | C2 | C3 | H25 | 60.3° | 60.1° |
| C4 | C2 | C3 | H26 | 59.7° | 59.9° |
| C4 | C2 | C3 | H27 | 179.8° | 179.9° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H4 | N7 | C8 | H5 | 167.6° | 0.0° |
| H5 | C8 | C13 | H6 | 61.3° | 175.0° |
| H5 | C8 | C13 | H7 | 180.0° | 65.0° |
| H5 | C8 | C9 | H13 | 175.4° | 179.9° |
| H8 | C27 | C26 | H9 | 1.6° | 0.1° |
| H9 | C26 | C25 | H10 | 0.3° | 0.1° |
| H10 | C25 | C24 | H11 | 1.9° | 0.1° |
| H11 | C24 | C23 | H12 | 1.6° | 0.2° |
| H13 | C9 | O1 | H14 | 58.7° | 180.0° |
| H13 | C9 | C10 | H15 | 57.1° | 65.0° |
| H13 | C9 | C10 | H16 | 177.5° | 175.0° |
| H15 | C10 | N11 | H17 | 152.2° | 178.6° |
| H16 | C10 | N11 | H17 | 87.4° | 58.7° |
| H17 | N11 | C12 | H19 | 52.0° | 158.7° |
| H19 | C12 | C15 | H20 | 47.1° | 48.2° |
| H19 | C12 | C15 | H21 | 166.1° | 168.4° |
| H22 | C4 | H23 | H24 | 120.0° | 119.9° |
| H25 | C3 | H26 | H27 | 120.0° | 120.0° |
| H31 | C32 | H32 | H33 | 120.0° | 119.9° |
| H34 | C31 | H35 | H36 | 120.0° | 120.0° |
| H37 | C30 | H38 | H39 | 120.0° | 120.0° |
