8VO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C15 | sing | 1.53Å | 1.53Å | |
| C19 | C23 | sing | 1.54Å | 1.56Å | |
| C19 | O03 | sing | 1.43Å | 1.35Å | |
| C19 | C16 | sing | 1.54Å | 1.56Å | |
| C23 | C24 | sing | 1.51Å | 1.47Å | |
| C16 | N10 | sing | 1.46Å | 1.43Å | |
| C16 | C22 | sing | 1.51Å | 1.46Å | |
| C15 | C20 | sing | 1.53Å | 1.55Å | |
| C15 | S01 | sing | 1.84Å | 1.72Å | |
| C15 | C14 | sing | 1.55Å | 1.63Å | |
| N10 | C18 | sing | 1.35Å | 1.43Å | |
| C24 | C22 | sing | 1.38Å | 1.49Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.53Å | Aromatic |
| S01 | C17 | sing | 1.84Å | 1.50Å | |
| C18 | O04 | doub | 1.21Å | 1.19Å | |
| C18 | C14 | sing | 1.51Å | 1.46Å | |
| C22 | C28 | doub | 1.39Å | 1.53Å | Aromatic |
| C14 | N09 | sing | 1.46Å | 1.45Å | |
| C29 | C32 | sing | 1.38Å | 1.51Å | Aromatic |
| C17 | N09 | sing | 1.48Å | 1.67Å | |
| N09 | C25 | sing | 1.35Å | 1.43Å | |
| C28 | C31 | sing | 1.38Å | 1.51Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.52Å | Aromatic |
| C25 | O06 | doub | 1.21Å | 1.19Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | O05 | sing | 1.43Å | 1.40Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| O07 | C34 | doub | 1.21Å | 1.19Å | |
| C27 | C30 | sing | 1.53Å | 1.54Å | |
| C27 | N11 | sing | 1.46Å | 1.45Å | |
| C37 | C40 | doub | 1.38Å | 1.52Å | Aromatic |
| C37 | C33 | sing | 1.38Å | 1.51Å | Aromatic |
| C30 | C33 | sing | 1.51Å | 1.51Å | |
| C34 | N11 | sing | 1.35Å | 1.44Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C40 | C41 | sing | 1.38Å | 1.51Å | Aromatic |
| S02 | C38 | sing | 1.81Å | 1.81Å | |
| S02 | C44 | sing | 1.81Å | 1.81Å | |
| C33 | C36 | doub | 1.38Å | 1.51Å | Aromatic |
| C38 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | N12 | sing | 1.46Å | 1.46Å | |
| N12 | C42 | sing | 1.35Å | 1.45Å | |
| C41 | C39 | doub | 1.38Å | 1.50Å | Aromatic |
| C36 | C39 | sing | 1.38Å | 1.52Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.52Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.52Å | Aromatic |
| C42 | C43 | sing | 1.51Å | 1.54Å | |
| C42 | O08 | doub | 1.21Å | 1.18Å | |
| C43 | C45 | sing | 1.51Å | 1.52Å | |
| C48 | C50 | sing | 1.39Å | 1.53Å | Aromatic |
| C45 | C47 | doub | 1.38Å | 1.52Å | Aromatic |
| C50 | N13 | sing | 1.40Å | 1.44Å | |
| C50 | C49 | doub | 1.39Å | 1.52Å | Aromatic |
| C47 | C49 | sing | 1.38Å | 1.51Å | Aromatic |
| C36 | H1 | sing | 1.08Å | 1.08Å | |
| C35 | H2 | sing | 1.09Å | 1.10Å | |
| C38 | H3 | sing | 1.09Å | 1.10Å | |
| C38 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.08Å | 1.08Å | |
| C31 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| O03 | H14 | sing | 0.97Å | 0.95Å | |
| O05 | H15 | sing | 0.97Å | 0.95Å | |
| N10 | H16 | sing | 0.97Å | 1.00Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| N12 | H18 | sing | 0.97Å | 1.00Å | |
| N13 | H19 | sing | 0.97Å | 1.00Å | |
| N13 | H20 | sing | 0.97Å | 1.00Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å | |
| C40 | H35 | sing | 1.08Å | 1.08Å | |
| C41 | H36 | sing | 1.08Å | 1.08Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C44 | H39 | sing | 1.09Å | 1.10Å | |
| C44 | H40 | sing | 1.09Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C46 | H42 | sing | 1.08Å | 1.08Å | |
| C47 | H43 | sing | 1.08Å | 1.08Å | |
| C48 | H44 | sing | 1.08Å | 1.08Å | |
| C49 | H45 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C15 | C20 | 112.2° | 110.9° |
| C21 | C15 | S01 | 112.2° | 111.1° |
| C21 | C15 | C14 | 112.1° | 111.0° |
| C15 | C21 | H9 | 109.5° | 109.5° |
| C15 | C21 | H10 | 109.5° | 109.5° |
| C15 | C21 | H11 | 109.5° | 109.5° |
| C23 | C19 | O03 | 111.4° | 110.8° |
| C23 | C19 | C16 | 101.7° | 102.4° |
| C19 | C23 | C24 | 104.2° | 105.2° |
| C19 | C23 | H7 | 110.8° | 110.3° |
| C19 | C23 | H8 | 110.8° | 110.4° |
| C23 | C19 | H23 | 109.1° | 110.8° |
| O03 | C19 | C16 | 113.1° | 110.8° |
| C19 | O03 | H14 | 109.5° | 114.0° |
| O03 | C19 | H23 | 112.1° | 110.8° |
| C19 | C16 | N10 | 108.4° | 110.3° |
| C19 | C16 | C22 | 105.3° | 105.1° |
| C19 | C16 | H13 | 108.8° | 110.4° |
| C16 | C19 | H23 | 109.0° | 111.0° |
| C23 | C24 | C22 | 109.3° | 109.7° |
| C23 | C24 | C29 | 131.6° | 130.4° |
| C24 | C23 | H7 | 110.8° | 110.3° |
| C24 | C23 | H8 | 110.8° | 110.3° |
| N10 | C16 | C22 | 113.3° | 110.3° |
| C16 | N10 | C18 | 123.8° | 120.0° |
| N10 | C16 | H13 | 110.7° | 110.3° |
| C16 | N10 | H16 | 118.1° | 120.0° |
| C16 | C22 | C24 | 107.6° | 109.8° |
| C16 | C22 | C28 | 131.0° | 130.4° |
| C22 | C16 | H13 | 110.1° | 110.3° |
| C20 | C15 | S01 | 110.1° | 111.1° |
| C20 | C15 | C14 | 106.5° | 111.1° |
| C15 | C20 | H24 | 109.5° | 109.5° |
| C15 | C20 | H25 | 109.5° | 109.5° |
| C15 | C20 | H26 | 109.5° | 109.5° |
| S01 | C15 | C14 | 103.2° | 101.3° |
| C15 | S01 | C17 | 102.6° | 93.9° |
| C15 | C14 | C18 | 114.6° | 108.7° |
| C15 | C14 | N09 | 99.5° | 113.2° |
| C15 | C14 | H12 | 107.4° | 108.7° |
| N10 | C18 | O04 | 119.4° | 120.0° |
| N10 | C18 | C14 | 115.5° | 120.0° |
| C18 | N10 | H16 | 118.1° | 120.0° |
| C22 | C24 | C29 | 119.1° | 119.9° |
| C24 | C22 | C28 | 121.4° | 119.8° |
| C24 | C29 | C32 | 119.8° | 120.2° |
| C24 | C29 | H30 | 120.1° | 119.9° |
| S01 | C17 | N09 | 106.0° | 102.7° |
| S01 | C17 | H21 | 110.3° | 110.9° |
| S01 | C17 | H22 | 110.3° | 110.8° |
| O04 | C18 | C14 | 125.0° | 120.0° |
| C18 | C14 | N09 | 115.6° | 108.8° |
| C18 | C14 | H12 | 109.5° | 108.7° |
| C22 | C28 | C31 | 119.8° | 120.2° |
| C22 | C28 | H29 | 120.1° | 119.8° |
| C14 | N09 | C17 | 104.5° | 115.1° |
| C14 | N09 | C25 | 124.4° | 122.4° |
| N09 | C14 | H12 | 109.6° | 108.7° |
| C29 | C32 | C31 | 121.1° | 119.9° |
| C29 | C32 | H5 | 119.5° | 120.0° |
| C32 | C29 | H30 | 120.1° | 119.9° |
| C17 | N09 | C25 | 130.7° | 122.5° |
| N09 | C17 | H21 | 110.3° | 110.7° |
| N09 | C17 | H22 | 110.3° | 110.8° |
| N09 | C25 | O06 | 118.9° | 120.0° |
| N09 | C25 | C26 | 120.2° | 119.9° |
| C28 | C31 | C32 | 118.8° | 120.0° |
| C28 | C31 | H6 | 120.6° | 120.0° |
| C31 | C28 | H29 | 120.1° | 119.9° |
| C31 | C32 | H5 | 119.4° | 120.1° |
| C32 | C31 | H6 | 120.6° | 120.0° |
| O06 | C25 | C26 | 120.7° | 120.0° |
| C25 | C26 | O05 | 111.1° | 109.4° |
| C25 | C26 | C27 | 105.5° | 109.4° |
| C25 | C26 | H27 | 109.8° | 109.5° |
| O05 | C26 | C27 | 109.5° | 109.4° |
| C26 | O05 | H15 | 109.5° | 114.0° |
| O05 | C26 | H27 | 111.4° | 109.5° |
| C26 | C27 | C30 | 112.1° | 109.5° |
| C26 | C27 | N11 | 109.2° | 109.4° |
| C27 | C26 | H27 | 109.4° | 109.5° |
| C26 | C27 | H28 | 108.7° | 109.5° |
| O07 | C34 | N11 | 120.8° | 120.0° |
| O07 | C34 | C35 | 122.5° | 120.0° |
| C30 | C27 | N11 | 108.0° | 109.5° |
| C27 | C30 | C33 | 108.2° | 109.5° |
| C30 | C27 | H28 | 108.8° | 109.5° |
| C27 | C30 | H31 | 109.8° | 109.5° |
| C27 | C30 | H32 | 109.8° | 109.5° |
| C27 | N11 | C34 | 122.1° | 120.0° |
| C27 | N11 | H17 | 118.9° | 120.0° |
| N11 | C27 | H28 | 110.0° | 109.5° |
| C40 | C37 | C33 | 119.1° | 120.0° |
| C37 | C40 | C41 | 120.0° | 120.0° |
| C40 | C37 | H33 | 120.5° | 120.0° |
| C37 | C40 | H35 | 120.0° | 120.0° |
| C37 | C33 | C30 | 119.7° | 120.0° |
| C37 | C33 | C36 | 120.8° | 120.0° |
| C33 | C37 | H33 | 120.4° | 120.0° |
| C30 | C33 | C36 | 119.5° | 120.0° |
| C33 | C30 | H31 | 109.8° | 109.4° |
| C33 | C30 | H32 | 109.8° | 109.5° |
| N11 | C34 | C35 | 116.6° | 120.0° |
| C34 | N11 | H17 | 118.9° | 120.0° |
| C34 | C35 | C38 | 112.1° | 109.4° |
| C34 | C35 | N12 | 110.7° | 109.5° |
| C34 | C35 | H2 | 109.5° | 109.5° |
| C40 | C41 | C39 | 120.7° | 119.9° |
| C41 | C40 | H35 | 120.0° | 120.0° |
| C40 | C41 | H36 | 119.7° | 120.0° |
| C38 | S02 | C44 | 106.8° | 103.0° |
| S02 | C38 | C35 | 110.6° | 109.4° |
| S02 | C38 | H3 | 109.2° | 109.5° |
| S02 | C38 | H4 | 109.2° | 109.5° |
| S02 | C44 | H39 | 109.5° | 109.5° |
| S02 | C44 | H40 | 109.5° | 109.5° |
| S02 | C44 | H41 | 109.5° | 109.5° |
| C33 | C36 | C39 | 119.9° | 120.0° |
| C33 | C36 | H1 | 120.0° | 120.0° |
| C38 | C35 | N12 | 104.6° | 109.5° |
| C38 | C35 | H2 | 109.5° | 109.5° |
| C35 | C38 | H3 | 109.2° | 109.5° |
| C35 | C38 | H4 | 109.2° | 109.5° |
| C35 | N12 | C42 | 123.9° | 120.0° |
| N12 | C35 | H2 | 110.4° | 109.5° |
| C35 | N12 | H18 | 118.0° | 120.0° |
| N12 | C42 | C43 | 118.5° | 120.0° |
| N12 | C42 | O08 | 121.1° | 120.0° |
| C42 | N12 | H18 | 118.0° | 120.0° |
| C41 | C39 | C36 | 119.5° | 120.1° |
| C41 | C39 | H34 | 120.3° | 120.0° |
| C39 | C41 | H36 | 119.6° | 120.0° |
| C39 | C36 | H1 | 120.0° | 120.0° |
| C36 | C39 | H34 | 120.3° | 120.0° |
| C48 | C46 | C45 | 119.9° | 120.1° |
| C46 | C48 | C50 | 119.1° | 120.0° |
| C48 | C46 | H42 | 120.1° | 120.0° |
| C46 | C48 | H44 | 120.4° | 120.0° |
| C46 | C45 | C43 | 119.8° | 119.9° |
| C46 | C45 | C47 | 120.7° | 120.1° |
| C45 | C46 | H42 | 120.1° | 119.9° |
| C43 | C42 | O08 | 120.4° | 120.0° |
| C42 | C43 | C45 | 112.4° | 109.5° |
| C42 | C43 | H37 | 108.7° | 109.5° |
| C42 | C43 | H38 | 108.7° | 109.5° |
| C43 | C45 | C47 | 119.5° | 119.9° |
| C45 | C43 | H37 | 108.7° | 109.4° |
| C45 | C43 | H38 | 108.7° | 109.5° |
| C48 | C50 | N13 | 120.3° | 120.1° |
| C48 | C50 | C49 | 120.8° | 119.8° |
| C50 | C48 | H44 | 120.5° | 120.0° |
| C45 | C47 | C49 | 119.6° | 120.0° |
| C45 | C47 | H43 | 120.2° | 120.0° |
| N13 | C50 | C49 | 118.9° | 120.0° |
| C50 | N13 | H19 | 109.5° | 119.9° |
| C50 | N13 | H20 | 109.5° | 120.1° |
| C50 | C49 | C47 | 119.9° | 120.0° |
| C50 | C49 | H45 | 120.0° | 120.1° |
| C49 | C47 | H43 | 120.2° | 120.0° |
| C47 | C49 | H45 | 120.1° | 119.9° |
| H3 | C38 | H4 | 109.5° | 109.5° |
| H7 | C23 | H8 | 109.5° | 110.2° |
| H9 | C21 | H10 | 109.5° | 109.4° |
| H9 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H19 | N13 | H20 | 109.5° | 120.0° |
| H21 | C17 | H22 | 109.4° | 110.8° |
| H24 | C20 | H25 | 109.5° | 109.4° |
| H24 | C20 | H26 | 109.4° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.4° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H37 | C43 | H38 | 109.5° | 109.5° |
| H39 | C44 | H40 | 109.5° | 109.5° |
| H39 | C44 | H41 | 109.4° | 109.4° |
| H40 | C44 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C15 | C20 | S01 | 125.8° | 124.0° |
| C21 | C15 | C20 | C14 | 123.0° | 124.0° |
| C21 | C15 | S01 | C14 | 120.8° | 118.0° |
| C21 | C15 | S01 | C17 | 139.7° | 85.8° |
| C21 | C15 | C14 | C18 | 39.7° | 26.0° |
| C21 | C15 | C14 | N09 | 163.6° | 95.0° |
| C15 | C21 | H9 | H10 | 120.0° | 120.0° |
| C15 | C21 | H9 | H11 | 120.0° | 120.0° |
| C15 | C21 | H10 | H11 | 120.0° | 120.0° |
| C21 | C15 | C14 | H12 | 82.2° | 144.1° |
| C21 | C15 | C20 | H24 | 180.0° | 60.7° |
| C21 | C15 | C20 | H25 | 60.0° | 179.3° |
| C21 | C15 | C20 | H26 | 60.0° | 59.3° |
| C23 | C19 | O03 | C16 | 113.8° | 113.0° |
| C23 | C19 | O03 | H23 | 122.5° | 123.4° |
| C23 | C19 | C16 | H23 | 115.1° | 118.3° |
| C19 | C23 | C24 | H7 | 119.2° | 118.9° |
| C19 | C23 | C24 | H8 | 119.2° | 119.0° |
| C23 | C19 | C16 | N10 | 154.4° | 145.2° |
| C23 | C19 | C16 | C22 | 32.8° | 26.3° |
| C19 | C23 | C24 | C22 | 20.8° | 17.2° |
| C19 | C23 | C24 | C29 | 159.2° | 161.8° |
| C19 | C23 | H7 | H8 | 122.4° | 122.1° |
| C23 | C19 | C16 | H13 | 85.2° | 92.6° |
| C23 | C19 | O03 | H14 | 180.0° | 61.5° |
| O03 | C19 | C16 | H23 | 125.4° | 123.5° |
| O03 | C19 | C23 | C24 | 88.6° | 91.8° |
| O03 | C19 | C16 | N10 | 34.9° | 27.0° |
| O03 | C19 | C16 | C22 | 86.7° | 91.9° |
| O03 | C19 | C23 | H7 | 30.6° | 149.2° |
| O03 | C19 | C23 | H8 | 152.3° | 27.1° |
| O03 | C19 | C16 | H13 | 155.3° | 149.2° |
| C16 | C19 | C23 | C24 | 32.2° | 26.4° |
| C19 | C16 | N10 | C22 | 116.5° | 115.7° |
| C19 | C16 | N10 | H13 | 119.2° | 122.2° |
| C19 | C16 | C22 | H13 | 117.2° | 119.0° |
| C19 | C16 | N10 | C18 | 153.5° | 157.8° |
| C19 | C16 | C22 | C24 | 21.2° | 17.2° |
| C19 | C16 | C22 | C28 | 159.2° | 162.8° |
| C16 | C19 | C23 | H7 | 151.4° | 92.6° |
| C16 | C19 | C23 | H8 | 86.9° | 145.4° |
| C16 | C19 | O03 | H14 | 66.2° | 174.5° |
| C19 | C16 | N10 | H16 | 26.4° | 22.2° |
| C23 | C24 | C22 | C16 | 0.2° | 0.0° |
| C23 | C24 | C22 | C29 | 180.0° | 179.2° |
| C23 | C24 | C22 | C28 | 179.9° | 180.0° |
| C23 | C24 | C29 | C32 | 179.7° | 179.5° |
| C24 | C23 | H7 | H8 | 122.4° | 122.1° |
| C24 | C23 | C19 | H23 | 147.2° | 144.8° |
| C23 | C24 | C29 | H30 | 0.3° | 1.1° |
| N10 | C16 | C22 | H13 | 124.5° | 122.1° |
| C16 | N10 | C18 | H16 | 180.0° | 180.0° |
| N10 | C16 | C22 | C24 | 139.5° | 136.1° |
| C16 | N10 | C18 | O04 | 1.5° | 0.1° |
| C16 | N10 | C18 | C14 | 175.7° | 179.9° |
| N10 | C16 | C22 | C28 | 40.9° | 43.8° |
| N10 | C16 | C19 | H23 | 90.5° | 96.5° |
| C22 | C16 | N10 | C18 | 89.9° | 86.5° |
| C16 | C22 | C24 | C28 | 179.7° | 179.9° |
| C16 | C22 | C24 | C29 | 179.8° | 179.1° |
| C16 | C22 | C28 | C31 | 179.3° | 179.4° |
| C22 | C16 | N10 | H16 | 90.1° | 93.6° |
| C22 | C16 | C19 | H23 | 147.9° | 144.6° |
| C16 | C22 | C28 | H29 | 0.7° | 0.6° |
| C20 | C15 | S01 | C14 | 113.3° | 118.1° |
| C20 | C15 | S01 | C17 | 94.5° | 150.3° |
| C20 | C15 | C14 | C18 | 162.8° | 97.9° |
| C20 | C15 | C14 | N09 | 73.3° | 141.1° |
| C20 | C15 | C21 | H9 | 180.0° | 59.3° |
| C20 | C15 | C21 | H10 | 60.0° | 179.3° |
| C20 | C15 | C21 | H11 | 60.0° | 60.7° |
| C20 | C15 | C14 | H12 | 40.9° | 20.2° |
| C15 | C20 | H24 | H25 | 120.0° | 120.1° |
| C15 | C20 | H24 | H26 | 120.0° | 120.0° |
| C15 | C20 | H25 | H26 | 120.0° | 120.0° |
| S01 | C15 | C14 | C18 | 81.2° | 144.0° |
| S01 | C15 | C14 | N09 | 42.7° | 23.1° |
| C15 | S01 | C17 | N09 | 9.0° | 33.4° |
| S01 | C15 | C21 | H9 | 55.3° | 64.7° |
| S01 | C15 | C21 | H10 | 175.3° | 55.2° |
| S01 | C15 | C21 | H11 | 64.7° | 175.3° |
| S01 | C15 | C14 | H12 | 156.8° | 97.9° |
| C15 | S01 | C17 | H21 | 110.5° | 84.8° |
| C15 | S01 | C17 | H22 | 128.5° | 151.7° |
| S01 | C15 | C20 | H24 | 54.2° | 175.3° |
| S01 | C15 | C20 | H25 | 65.8° | 55.3° |
| S01 | C15 | C20 | H26 | 174.2° | 64.7° |
| C15 | C14 | C18 | N10 | 106.7° | 74.9° |
| C14 | C15 | S01 | C17 | 18.9° | 32.2° |
| C15 | C14 | C18 | O04 | 70.3° | 105.1° |
| C15 | C14 | C18 | N09 | 114.8° | 123.6° |
| C15 | C14 | C18 | H12 | 120.8° | 118.1° |
| C15 | C14 | N09 | H12 | 112.5° | 120.9° |
| C15 | C14 | N09 | C17 | 48.7° | 1.1° |
| C15 | C14 | N09 | C25 | 124.9° | 178.9° |
| C14 | C15 | C21 | H9 | 60.2° | 176.7° |
| C14 | C15 | C21 | H10 | 59.8° | 56.7° |
| C14 | C15 | C21 | H11 | 179.8° | 63.3° |
| C14 | C15 | C20 | H24 | 57.0° | 63.3° |
| C14 | C15 | C20 | H25 | 177.0° | 56.7° |
| C14 | C15 | C20 | H26 | 63.0° | 176.7° |
| N10 | C18 | O04 | C14 | 176.9° | 180.0° |
| N10 | C18 | C14 | N09 | 138.5° | 161.5° |
| N10 | C18 | C14 | H12 | 14.0° | 43.2° |
| C18 | N10 | C16 | H13 | 34.3° | 35.6° |
| C22 | C24 | C29 | C32 | 0.3° | 0.5° |
| C24 | C22 | C28 | C31 | 0.3° | 0.5° |
| C22 | C24 | C23 | H7 | 140.0° | 101.7° |
| C22 | C24 | C23 | H8 | 98.4° | 136.3° |
| C24 | C22 | C16 | H13 | 96.0° | 101.8° |
| C24 | C22 | C28 | H29 | 179.8° | 179.5° |
| C22 | C24 | C29 | H30 | 179.7° | 179.9° |
| C29 | C24 | C22 | C28 | 0.2° | 0.8° |
| C24 | C29 | C32 | H30 | 180.0° | 179.4° |
| C24 | C29 | C32 | C31 | 0.1° | 0.0° |
| C24 | C29 | C32 | H5 | 179.9° | 179.7° |
| C29 | C24 | C23 | H7 | 40.0° | 79.2° |
| C29 | C24 | C23 | H8 | 81.7° | 42.8° |
| S01 | C17 | N09 | C14 | 38.6° | 24.8° |
| S01 | C17 | N09 | H21 | 119.5° | 118.4° |
| S01 | C17 | N09 | H22 | 119.5° | 118.3° |
| S01 | C17 | N09 | C25 | 134.4° | 155.2° |
| S01 | C17 | H21 | H22 | 121.6° | 123.5° |
| O04 | C18 | C14 | N09 | 44.5° | 18.5° |
| O04 | C18 | C14 | H12 | 169.0° | 136.8° |
| O04 | C18 | N10 | H16 | 178.5° | 180.0° |
| C18 | C14 | N09 | H12 | 124.4° | 118.3° |
| C18 | C14 | N09 | C17 | 74.5° | 119.7° |
| C18 | C14 | N09 | C25 | 111.9° | 60.2° |
| C14 | C18 | N10 | H16 | 4.3° | 0.0° |
| C22 | C28 | C31 | H29 | 180.0° | 180.0° |
| C22 | C28 | C31 | C32 | 0.5° | 0.0° |
| C22 | C28 | C31 | H6 | 179.5° | 180.0° |
| C28 | C22 | C16 | H13 | 83.6° | 78.2° |
| C14 | N09 | C17 | C25 | 173.0° | 180.0° |
| C14 | N09 | C25 | O06 | 4.1° | 0.0° |
| C14 | N09 | C25 | C26 | 179.7° | 180.0° |
| C14 | N09 | C17 | H21 | 80.9° | 93.5° |
| C14 | N09 | C17 | H22 | 158.1° | 143.2° |
| C29 | C32 | C31 | C28 | 0.3° | 0.3° |
| C29 | C32 | C31 | H5 | 180.0° | 179.7° |
| C29 | C32 | C31 | H6 | 179.7° | 179.7° |
| C17 | N09 | C25 | O06 | 175.9° | 180.0° |
| C17 | N09 | C25 | C26 | 7.9° | 0.0° |
| C17 | N09 | C14 | H12 | 161.1° | 122.0° |
| N09 | C17 | H21 | H22 | 121.6° | 123.3° |
| N09 | C25 | O06 | C26 | 176.2° | 180.0° |
| N09 | C25 | C26 | O05 | 158.2° | 175.0° |
| N09 | C25 | C26 | C27 | 83.2° | 65.1° |
| C25 | N09 | C14 | H12 | 12.5° | 58.0° |
| C25 | N09 | C17 | H21 | 106.1° | 86.4° |
| C25 | N09 | C17 | H22 | 14.9° | 36.9° |
| N09 | C25 | C26 | H27 | 34.5° | 55.0° |
| C28 | C31 | C32 | H6 | 180.0° | 180.0° |
| C28 | C31 | C32 | H5 | 179.7° | 180.0° |
| C32 | C31 | C28 | H29 | 179.6° | 180.0° |
| C31 | C32 | C29 | H30 | 179.9° | 179.4° |
| O06 | C25 | C26 | O05 | 25.7° | 5.0° |
| O06 | C25 | C26 | C27 | 93.0° | 115.0° |
| O06 | C25 | C26 | H27 | 149.3° | 125.0° |
| C25 | C26 | O05 | C27 | 116.2° | 119.9° |
| C25 | C26 | O05 | H27 | 122.7° | 120.0° |
| C25 | C26 | C27 | H27 | 118.0° | 120.1° |
| C25 | C26 | C27 | C30 | 73.7° | 65.0° |
| C25 | C26 | C27 | N11 | 166.7° | 175.0° |
| C25 | C26 | O05 | H15 | 10.9° | 59.9° |
| C25 | C26 | C27 | H28 | 46.6° | 55.1° |
| O05 | C26 | C27 | H27 | 122.3° | 120.0° |
| O05 | C26 | C27 | C30 | 46.0° | 55.0° |
| O05 | C26 | C27 | N11 | 73.6° | 65.0° |
| O05 | C26 | C27 | H28 | 166.3° | 175.0° |
| C26 | C27 | C30 | N11 | 120.3° | 120.0° |
| C26 | C27 | C30 | H28 | 120.2° | 120.0° |
| C26 | C27 | N11 | H28 | 119.3° | 119.9° |
| C26 | C27 | C30 | C33 | 171.6° | 175.0° |
| C26 | C27 | N11 | C34 | 92.0° | 155.0° |
| C27 | C26 | O05 | H15 | 105.3° | 60.0° |
| C26 | C27 | N11 | H17 | 87.9° | 25.0° |
| C26 | C27 | C30 | H31 | 68.6° | 55.0° |
| C26 | C27 | C30 | H32 | 51.8° | 65.0° |
| O07 | C34 | N11 | C27 | 1.0° | 0.0° |
| O07 | C34 | N11 | C35 | 179.8° | 179.9° |
| O07 | C34 | C35 | C38 | 51.9° | 120.0° |
| O07 | C34 | C35 | N12 | 64.4° | 0.1° |
| O07 | C34 | C35 | H2 | 173.6° | 120.0° |
| O07 | C34 | N11 | H17 | 179.0° | 180.0° |
| C30 | C27 | N11 | H28 | 118.6° | 120.0° |
| C27 | C30 | C33 | C37 | 93.2° | 90.0° |
| C27 | C30 | C33 | H31 | 119.8° | 120.0° |
| C27 | C30 | C33 | H32 | 119.8° | 120.0° |
| C30 | C27 | N11 | C34 | 145.8° | 85.0° |
| C27 | C30 | C33 | C36 | 86.3° | 90.0° |
| C30 | C27 | N11 | H17 | 34.2° | 95.0° |
| C30 | C27 | C26 | H27 | 168.4° | 175.0° |
| C27 | C30 | H31 | H32 | 120.6° | 120.0° |
| N11 | C27 | C30 | C33 | 68.0° | 65.0° |
| C27 | N11 | C34 | H17 | 180.0° | 180.0° |
| C27 | N11 | C34 | C35 | 178.9° | 180.0° |
| N11 | C27 | C26 | H27 | 48.7° | 55.0° |
| N11 | C27 | C30 | H31 | 51.8° | 175.0° |
| N11 | C27 | C30 | H32 | 172.2° | 55.0° |
| C40 | C37 | C33 | H33 | 180.0° | 180.0° |
| C40 | C37 | C33 | C30 | 179.7° | 180.0° |
| C37 | C40 | C41 | H35 | 180.0° | 179.6° |
| C40 | C37 | C33 | C36 | 0.2° | 0.1° |
| C37 | C40 | C41 | C39 | 0.4° | 0.6° |
| C37 | C40 | C41 | H36 | 179.5° | 180.0° |
| C37 | C33 | C30 | C36 | 179.5° | 180.0° |
| C33 | C37 | C40 | C41 | 0.5° | 0.3° |
| C37 | C33 | C36 | C39 | 0.3° | 0.0° |
| C37 | C33 | C36 | H1 | 179.7° | 179.8° |
| C37 | C33 | C30 | H31 | 147.0° | 30.0° |
| C37 | C33 | C30 | H32 | 26.6° | 150.0° |
| C33 | C37 | C40 | H35 | 179.5° | 180.0° |
| C30 | C33 | C36 | C39 | 179.2° | 180.0° |
| C30 | C33 | C36 | H1 | 0.8° | 0.3° |
| C33 | C30 | C27 | H28 | 51.4° | 55.0° |
| C33 | C30 | H31 | H32 | 120.6° | 120.0° |
| C30 | C33 | C37 | H33 | 0.3° | 0.0° |
| N11 | C34 | C35 | C38 | 128.2° | 60.0° |
| N11 | C34 | C35 | N12 | 115.5° | 180.0° |
| N11 | C34 | C35 | H2 | 6.5° | 59.9° |
| C34 | N11 | C27 | H28 | 27.2° | 35.0° |
| C34 | C35 | C38 | S02 | 69.2° | 180.0° |
| C34 | C35 | C38 | N12 | 120.0° | 120.0° |
| C34 | C35 | C38 | H2 | 121.7° | 120.0° |
| C34 | C35 | N12 | H2 | 121.4° | 120.1° |
| C34 | C35 | N12 | C42 | 110.9° | 155.0° |
| C34 | C35 | C38 | H3 | 51.0° | 60.0° |
| C34 | C35 | C38 | H4 | 170.6° | 60.0° |
| C35 | C34 | N11 | H17 | 1.2° | 0.1° |
| C34 | C35 | N12 | H18 | 69.1° | 25.0° |
| C40 | C41 | C39 | H36 | 180.0° | 179.4° |
| C40 | C41 | C39 | C36 | 0.0° | 0.6° |
| C41 | C40 | C37 | H33 | 179.5° | 179.7° |
| C40 | C41 | C39 | H34 | 180.0° | 179.4° |
| S02 | C38 | C35 | H3 | 120.2° | 120.0° |
| S02 | C38 | C35 | H4 | 120.2° | 120.0° |
| S02 | C38 | C35 | N12 | 170.8° | 60.0° |
| S02 | C38 | C35 | H2 | 52.5° | 60.0° |
| S02 | C38 | H3 | H4 | 119.5° | 120.0° |
| C38 | S02 | C44 | H39 | 180.0° | 60.0° |
| C38 | S02 | C44 | H40 | 60.0° | 60.0° |
| C38 | S02 | C44 | H41 | 60.0° | 179.9° |
| C44 | S02 | C38 | C35 | 78.5° | 180.0° |
| C44 | S02 | C38 | H3 | 161.3° | 60.0° |
| C44 | S02 | C38 | H4 | 41.7° | 60.0° |
| S02 | C44 | H39 | H40 | 120.0° | 120.0° |
| S02 | C44 | H39 | H41 | 120.0° | 120.0° |
| S02 | C44 | H40 | H41 | 120.0° | 120.1° |
| C33 | C36 | C39 | C41 | 0.3° | 0.3° |
| C33 | C36 | C39 | H1 | 180.0° | 179.7° |
| C36 | C33 | C30 | H31 | 33.5° | 150.0° |
| C36 | C33 | C30 | H32 | 153.9° | 30.0° |
| C36 | C33 | C37 | H33 | 179.8° | 180.0° |
| C33 | C36 | C39 | H34 | 179.7° | 179.7° |
| C38 | C35 | N12 | H2 | 117.7° | 120.0° |
| C38 | C35 | N12 | C42 | 128.2° | 85.0° |
| C35 | C38 | H3 | H4 | 119.5° | 120.0° |
| C38 | C35 | N12 | H18 | 51.8° | 95.0° |
| C35 | N12 | C42 | H18 | 180.0° | 180.0° |
| C35 | N12 | C42 | C43 | 178.1° | 180.0° |
| C35 | N12 | C42 | O08 | 2.1° | 0.1° |
| N12 | C35 | C38 | H3 | 69.0° | 60.0° |
| N12 | C35 | C38 | H4 | 50.6° | 180.0° |
| N12 | C42 | C43 | O08 | 179.8° | 179.9° |
| N12 | C42 | C43 | C45 | 129.8° | 180.0° |
| C42 | N12 | C35 | H2 | 10.5° | 35.0° |
| N12 | C42 | C43 | H37 | 9.4° | 60.1° |
| N12 | C42 | C43 | H38 | 109.7° | 60.0° |
| C41 | C39 | C36 | H34 | 180.0° | 180.0° |
| C41 | C39 | C36 | H1 | 179.6° | 180.0° |
| C39 | C41 | C40 | H35 | 179.5° | 179.8° |
| C36 | C39 | C41 | H36 | 180.0° | 180.0° |
| C48 | C46 | C45 | H42 | 180.0° | 180.0° |
| C48 | C46 | C45 | C43 | 179.9° | 180.0° |
| C46 | C48 | C50 | H44 | 180.0° | 180.0° |
| C48 | C46 | C45 | C47 | 0.8° | 0.3° |
| C46 | C48 | C50 | N13 | 179.7° | 180.0° |
| C46 | C48 | C50 | C49 | 0.1° | 0.3° |
| C46 | C45 | C43 | C42 | 112.3° | 89.7° |
| C46 | C45 | C43 | C47 | 179.1° | 179.7° |
| C45 | C46 | C48 | C50 | 0.5° | 0.0° |
| C46 | C45 | C47 | C49 | 0.4° | 0.3° |
| C46 | C45 | C43 | H37 | 8.1° | 150.3° |
| C46 | C45 | C43 | H38 | 127.2° | 30.3° |
| C46 | C45 | C47 | H43 | 179.6° | 179.8° |
| C45 | C46 | C48 | H44 | 179.5° | 179.9° |
| C42 | C43 | C45 | H37 | 120.4° | 120.0° |
| C42 | C43 | C45 | H38 | 120.4° | 120.0° |
| C42 | C43 | C45 | C47 | 68.5° | 90.0° |
| C43 | C42 | N12 | H18 | 1.9° | 0.0° |
| C42 | C43 | H37 | H38 | 118.7° | 120.1° |
| O08 | C42 | C43 | C45 | 50.0° | 0.0° |
| O08 | C42 | N12 | H18 | 177.9° | 180.0° |
| O08 | C42 | C43 | H37 | 170.4° | 120.0° |
| O08 | C42 | C43 | H38 | 70.4° | 119.9° |
| C43 | C45 | C47 | C49 | 179.5° | 180.0° |
| C45 | C43 | H37 | H38 | 118.7° | 120.0° |
| C43 | C45 | C46 | H42 | 0.1° | 0.0° |
| C43 | C45 | C47 | H43 | 0.5° | 0.1° |
| C48 | C50 | N13 | C49 | 179.6° | 179.7° |
| C48 | C50 | C49 | C47 | 0.5° | 0.3° |
| C48 | C50 | N13 | H19 | 180.0° | 0.1° |
| C48 | C50 | N13 | H20 | 60.0° | 179.9° |
| C50 | C48 | C46 | H42 | 179.5° | 180.0° |
| C48 | C50 | C49 | H45 | 179.5° | 179.8° |
| C45 | C47 | C49 | C50 | 0.3° | 0.0° |
| C45 | C47 | C49 | H43 | 180.0° | 179.9° |
| C47 | C45 | C43 | H37 | 171.1° | 30.0° |
| C47 | C45 | C43 | H38 | 51.9° | 150.0° |
| C47 | C45 | C46 | H42 | 179.2° | 179.7° |
| C45 | C47 | C49 | H45 | 179.7° | 179.9° |
| N13 | C50 | C49 | C47 | 179.9° | 180.0° |
| C50 | N13 | H19 | H20 | 120.0° | 179.9° |
| N13 | C50 | C48 | H44 | 0.2° | 0.0° |
| N13 | C50 | C49 | H45 | 0.1° | 0.0° |
| C50 | C49 | C47 | H45 | 180.0° | 180.0° |
| C49 | C50 | N13 | H19 | 0.4° | 179.8° |
| C49 | C50 | N13 | H20 | 120.4° | 0.3° |
| C50 | C49 | C47 | H43 | 179.8° | 179.9° |
| C49 | C50 | C48 | H44 | 179.9° | 179.8° |
| H1 | C36 | C39 | H34 | 0.4° | 0.0° |
| H2 | C35 | C38 | H3 | 172.7° | 180.0° |
| H2 | C35 | C38 | H4 | 67.7° | 60.0° |
| H2 | C35 | N12 | H18 | 169.5° | 145.0° |
| H5 | C32 | C31 | H6 | 0.3° | 0.0° |
| H5 | C32 | C29 | H30 | 0.1° | 0.3° |
| H6 | C31 | C28 | H29 | 0.4° | 0.0° |
| H7 | C23 | C19 | H23 | 93.6° | 25.8° |
| H8 | C23 | C19 | H23 | 28.1° | 96.2° |
| H9 | C21 | H10 | H11 | 120.0° | 120.0° |
| H13 | C16 | N10 | H16 | 145.7° | 144.4° |
| H13 | C16 | C19 | H23 | 29.9° | 25.7° |
| H14 | O03 | C19 | H23 | 57.5° | 61.9° |
| H15 | O05 | C26 | H27 | 133.6° | 180.0° |
| H17 | N11 | C27 | H28 | 152.8° | 145.0° |
| H24 | C20 | H25 | H26 | 120.0° | 120.0° |
| H27 | C26 | C27 | H28 | 71.4° | 65.0° |
| H28 | C27 | C30 | H31 | 171.2° | 65.0° |
| H28 | C27 | C30 | H32 | 68.4° | 175.0° |
| H33 | C37 | C40 | H35 | 0.6° | 0.0° |
| H34 | C39 | C41 | H36 | 0.0° | 0.0° |
| H35 | C40 | C41 | H36 | 0.5° | 0.4° |
| H39 | C44 | H40 | H41 | 119.9° | 119.9° |
| H42 | C46 | C48 | H44 | 0.5° | 0.0° |
| H43 | C47 | C49 | H45 | 0.2° | 0.0° |
