KZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | doub | 1.21Å | 1.31Å | |
| O19 | C17 | sing | 1.34Å | 1.22Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | O31 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C6 | sing | 1.53Å | 1.53Å | |
| C30 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C13 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C34 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| O31 | C28 | sing | 1.36Å | 1.38Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C12 | sing | 1.51Å | 1.51Å | |
| C16 | O20 | sing | 1.43Å | 1.43Å | |
| N3 | C7 | sing | 1.39Å | 1.39Å | |
| N3 | C4 | sing | 1.47Å | 1.48Å | |
| C7 | C12 | sing | 1.41Å | 1.49Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| C15 | C8 | sing | 1.48Å | 1.49Å | |
| C15 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C25 | sing | 1.51Å | 1.50Å | |
| C11 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | N10 | sing | 1.37Å | 1.39Å | Aromatic |
| C9 | N41 | doub | 1.32Å | 1.33Å | Aromatic |
| N10 | C43 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| N41 | C42 | sing | 1.34Å | 1.38Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.46Å | |
| C43 | C42 | doub | 1.35Å | 1.36Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.36Å | Aromatic |
| C37 | F40 | sing | 1.35Å | 1.36Å | |
| C42 | C44 | sing | 1.51Å | 1.50Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C24 | sing | 1.53Å | 1.52Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| O19 | H28 | sing | 0.97Å | 0.95Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C38 | H39 | sing | 1.08Å | 1.08Å | |
| C39 | H40 | sing | 1.08Å | 1.08Å | |
| C43 | H41 | sing | 1.08Å | 1.08Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | O19 | 123.8° | 120.0° |
| O18 | C17 | C16 | 112.6° | 120.0° |
| O19 | C17 | C16 | 123.6° | 120.0° |
| C17 | O19 | H28 | 109.5° | 117.0° |
| C33 | C32 | O31 | 111.8° | 109.5° |
| C32 | C33 | C34 | 114.0° | 109.4° |
| C32 | C33 | H15 | 108.3° | 109.4° |
| C32 | C33 | H16 | 108.3° | 109.5° |
| C33 | C32 | H35 | 108.9° | 109.5° |
| C33 | C32 | H36 | 108.9° | 109.5° |
| C32 | O31 | C28 | 118.3° | 117.0° |
| O31 | C32 | H35 | 108.9° | 109.4° |
| O31 | C32 | H36 | 108.8° | 109.5° |
| C1 | C2 | N3 | 111.1° | 108.8° |
| C2 | C1 | C6 | 112.9° | 109.3° |
| C2 | C1 | H17 | 108.6° | 109.5° |
| C2 | C1 | H18 | 108.6° | 109.5° |
| C1 | C2 | H19 | 109.1° | 109.6° |
| C1 | C2 | H20 | 109.1° | 109.6° |
| C2 | N3 | C7 | 120.3° | 120.6° |
| C2 | N3 | C4 | 113.5° | 118.7° |
| N3 | C2 | H19 | 109.0° | 109.6° |
| N3 | C2 | H20 | 109.1° | 109.6° |
| C33 | C34 | C35 | 121.0° | 120.0° |
| C33 | C34 | C39 | 120.7° | 119.9° |
| C34 | C33 | H15 | 108.3° | 109.5° |
| C34 | C33 | H16 | 108.3° | 109.5° |
| C17 | C16 | C12 | 111.4° | 109.5° |
| C17 | C16 | O20 | 108.3° | 109.4° |
| C17 | C16 | H4 | 108.4° | 109.5° |
| C1 | C6 | C14 | 109.8° | 109.5° |
| C1 | C6 | C13 | 109.9° | 109.5° |
| C1 | C6 | C5 | 108.6° | 109.5° |
| C6 | C1 | H17 | 108.6° | 109.5° |
| C6 | C1 | H18 | 108.6° | 109.5° |
| C30 | C29 | C28 | 119.9° | 120.1° |
| C29 | C30 | C15 | 120.8° | 119.9° |
| C30 | C29 | H33 | 120.1° | 119.9° |
| C29 | C30 | H34 | 119.6° | 120.1° |
| C29 | C28 | O31 | 122.3° | 119.9° |
| C29 | C28 | C27 | 120.1° | 120.2° |
| C28 | C29 | H33 | 120.1° | 120.0° |
| C14 | C6 | C13 | 108.9° | 109.5° |
| C14 | C6 | C5 | 110.3° | 109.5° |
| C6 | C14 | H25 | 109.5° | 109.5° |
| C6 | C14 | H26 | 109.5° | 109.5° |
| C6 | C14 | H27 | 109.5° | 109.5° |
| C30 | C15 | C8 | 120.5° | 120.1° |
| C30 | C15 | C26 | 118.7° | 119.8° |
| C15 | C30 | H34 | 119.6° | 120.0° |
| C34 | C35 | C36 | 121.1° | 120.0° |
| C35 | C34 | C39 | 118.4° | 120.1° |
| C34 | C35 | H37 | 119.4° | 120.0° |
| C35 | C36 | C37 | 118.2° | 119.9° |
| C36 | C35 | H37 | 119.4° | 120.0° |
| C35 | C36 | H38 | 120.9° | 120.0° |
| C13 | C6 | C5 | 109.4° | 109.4° |
| C6 | C13 | H1 | 109.5° | 109.5° |
| C6 | C13 | H2 | 109.5° | 109.5° |
| C6 | C13 | H3 | 109.5° | 109.4° |
| C6 | C5 | C4 | 115.8° | 109.3° |
| C6 | C5 | H23 | 107.9° | 109.5° |
| C6 | C5 | H24 | 107.9° | 109.6° |
| C34 | C39 | C38 | 121.3° | 120.0° |
| C34 | C39 | H40 | 119.4° | 120.0° |
| O31 | C28 | C27 | 117.5° | 119.9° |
| C28 | C27 | C26 | 119.7° | 120.1° |
| C28 | C27 | H14 | 120.2° | 119.9° |
| C36 | C37 | C38 | 122.9° | 120.0° |
| C36 | C37 | F40 | 118.7° | 120.0° |
| C37 | C36 | H38 | 120.9° | 120.1° |
| C12 | C16 | O20 | 110.5° | 109.5° |
| C16 | C12 | C7 | 116.5° | 119.9° |
| C16 | C12 | C11 | 123.1° | 119.8° |
| C12 | C16 | H4 | 108.6° | 109.5° |
| C16 | O20 | C21 | 122.6° | 114.0° |
| O20 | C16 | H4 | 109.7° | 109.5° |
| C7 | N3 | C4 | 122.6° | 120.6° |
| N3 | C7 | C12 | 123.7° | 120.3° |
| N3 | C7 | C8 | 119.3° | 120.4° |
| N3 | C4 | C5 | 111.7° | 108.8° |
| N3 | C4 | H21 | 108.9° | 109.6° |
| N3 | C4 | H22 | 108.9° | 109.6° |
| C12 | C7 | C8 | 117.0° | 119.3° |
| C7 | C12 | C11 | 120.3° | 120.3° |
| C7 | C8 | C15 | 124.4° | 120.6° |
| C7 | C8 | C9 | 120.8° | 118.9° |
| C12 | C11 | C25 | 126.0° | 119.4° |
| C12 | C11 | N10 | 119.9° | 121.1° |
| C8 | C15 | C26 | 120.8° | 120.1° |
| C15 | C8 | C9 | 114.6° | 120.6° |
| C15 | C26 | C27 | 120.8° | 119.9° |
| C15 | C26 | H32 | 119.6° | 120.0° |
| C8 | C9 | N10 | 118.3° | 119.6° |
| C8 | C9 | N41 | 131.3° | 132.3° |
| C25 | C11 | N10 | 114.1° | 119.4° |
| C11 | C25 | H29 | 109.5° | 109.5° |
| C11 | C25 | H30 | 109.4° | 109.5° |
| C11 | C25 | H31 | 109.4° | 109.5° |
| C11 | N10 | C9 | 123.6° | 120.7° |
| C11 | N10 | C43 | 129.7° | 132.3° |
| N10 | C9 | N41 | 110.4° | 108.1° |
| C9 | N10 | C43 | 106.7° | 106.9° |
| C9 | N41 | C42 | 106.2° | 109.2° |
| N10 | C43 | C42 | 106.6° | 107.1° |
| N10 | C43 | H41 | 126.7° | 126.5° |
| C5 | C4 | H21 | 108.9° | 109.6° |
| C5 | C4 | H22 | 108.9° | 109.6° |
| C4 | C5 | H23 | 107.9° | 109.5° |
| C4 | C5 | H24 | 107.9° | 109.5° |
| C39 | C38 | C37 | 118.1° | 120.0° |
| C39 | C38 | H39 | 121.0° | 120.0° |
| C38 | C39 | H40 | 119.4° | 120.0° |
| N41 | C42 | C43 | 110.2° | 108.6° |
| N41 | C42 | C44 | 120.2° | 125.7° |
| O20 | C21 | C23 | 108.1° | 109.5° |
| O20 | C21 | C22 | 113.7° | 109.4° |
| O20 | C21 | C24 | 102.3° | 109.5° |
| C43 | C42 | C44 | 129.5° | 125.7° |
| C42 | C43 | H41 | 126.7° | 126.4° |
| C26 | C27 | H14 | 120.2° | 120.0° |
| C27 | C26 | H32 | 119.6° | 120.1° |
| C38 | C37 | F40 | 118.4° | 120.0° |
| C37 | C38 | H39 | 120.9° | 120.0° |
| C42 | C44 | H42 | 109.5° | 109.4° |
| C42 | C44 | H43 | 109.5° | 109.5° |
| C42 | C44 | H44 | 109.5° | 109.5° |
| C23 | C21 | C22 | 110.9° | 109.5° |
| C23 | C21 | C24 | 111.4° | 109.5° |
| C21 | C23 | H8 | 109.5° | 109.5° |
| C21 | C23 | H9 | 109.5° | 109.5° |
| C21 | C23 | H10 | 109.5° | 109.5° |
| C22 | C21 | C24 | 110.2° | 109.5° |
| C21 | C22 | H5 | 109.5° | 109.5° |
| C21 | C22 | H6 | 109.4° | 109.5° |
| C21 | C22 | H7 | 109.5° | 109.4° |
| C21 | C24 | H11 | 109.5° | 109.4° |
| C21 | C24 | H12 | 109.5° | 109.4° |
| C21 | C24 | H13 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H5 | C22 | H6 | 109.4° | 109.4° |
| H5 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.4° | 109.5° |
| H8 | C23 | H10 | 109.5° | 109.4° |
| H9 | C23 | H10 | 109.5° | 109.4° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H13 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H15 | C33 | H16 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.4° | 109.5° |
| H19 | C2 | H20 | 109.4° | 109.7° |
| H21 | C4 | H22 | 109.4° | 109.7° |
| H23 | C5 | H24 | 109.4° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H25 | C14 | H27 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.4° |
| H29 | C25 | H30 | 109.5° | 109.4° |
| H29 | C25 | H31 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H35 | C32 | H36 | 109.5° | 109.5° |
| H42 | C44 | H43 | 109.5° | 109.4° |
| H42 | C44 | H44 | 109.5° | 109.5° |
| H43 | C44 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | O19 | C16 | 178.6° | 180.0° |
| O18 | C17 | C16 | C12 | 39.5° | 113.3° |
| O18 | C17 | C16 | O20 | 161.1° | 6.7° |
| O18 | C17 | C16 | H4 | 80.0° | 126.6° |
| O18 | C17 | O19 | H28 | 0.0° | 0.0° |
| O19 | C17 | C16 | C12 | 139.3° | 66.7° |
| O19 | C17 | C16 | O20 | 17.7° | 173.3° |
| O19 | C17 | C16 | H4 | 101.2° | 53.4° |
| C33 | C32 | O31 | H35 | 120.4° | 120.0° |
| C33 | C32 | O31 | H36 | 120.4° | 120.0° |
| C32 | C33 | C34 | H15 | 120.7° | 119.9° |
| C32 | C33 | C34 | H16 | 120.7° | 120.0° |
| C32 | C33 | C34 | C35 | 93.7° | 89.7° |
| C32 | C33 | C34 | C39 | 86.9° | 90.0° |
| C33 | C32 | O31 | C28 | 177.6° | 180.0° |
| C32 | C33 | H15 | H16 | 117.9° | 120.0° |
| C33 | C32 | H35 | H36 | 118.9° | 120.0° |
| O31 | C32 | C33 | C34 | 63.4° | 180.0° |
| C32 | O31 | C28 | C29 | 0.0° | 0.2° |
| C32 | O31 | C28 | C27 | 178.1° | 180.0° |
| O31 | C32 | C33 | H15 | 57.3° | 60.0° |
| O31 | C32 | C33 | H16 | 176.0° | 60.0° |
| O31 | C32 | H35 | H36 | 118.9° | 120.0° |
| C1 | C2 | N3 | H19 | 120.3° | 119.8° |
| C1 | C2 | N3 | H20 | 120.3° | 119.8° |
| C2 | C1 | C6 | H17 | 120.5° | 119.9° |
| C2 | C1 | C6 | H18 | 120.5° | 120.0° |
| C2 | C1 | C6 | C14 | 69.3° | 58.6° |
| C2 | C1 | C6 | C13 | 171.0° | 178.6° |
| C2 | C1 | C6 | C5 | 51.4° | 61.4° |
| C1 | C2 | N3 | C7 | 144.3° | 126.3° |
| C1 | C2 | N3 | C4 | 56.8° | 53.6° |
| C2 | C1 | H17 | H18 | 118.5° | 120.1° |
| C1 | C2 | H19 | H20 | 119.3° | 120.4° |
| N3 | C2 | C1 | C6 | 57.1° | 54.7° |
| C2 | N3 | C7 | C4 | 157.0° | 180.0° |
| C2 | N3 | C7 | C12 | 74.4° | 106.3° |
| C2 | N3 | C7 | C8 | 106.6° | 73.8° |
| C2 | N3 | C4 | C5 | 52.1° | 53.6° |
| N3 | C2 | C1 | H17 | 177.6° | 174.6° |
| N3 | C2 | C1 | H18 | 63.4° | 65.3° |
| N3 | C2 | H19 | H20 | 119.2° | 120.3° |
| C2 | N3 | C4 | H21 | 172.4° | 173.4° |
| C2 | N3 | C4 | H22 | 68.2° | 66.2° |
| C33 | C34 | C35 | C39 | 179.4° | 179.8° |
| C33 | C34 | C35 | C36 | 179.1° | 179.8° |
| C33 | C34 | C39 | C38 | 180.0° | 179.8° |
| C34 | C33 | H15 | H16 | 117.9° | 120.1° |
| C34 | C33 | C32 | H35 | 57.0° | 60.0° |
| C34 | C33 | C32 | H36 | 176.3° | 60.0° |
| C33 | C34 | C35 | H37 | 1.0° | 0.3° |
| C33 | C34 | C39 | H40 | 0.0° | 0.0° |
| C17 | C16 | C12 | O20 | 120.4° | 119.9° |
| C17 | C16 | C12 | H4 | 119.3° | 120.0° |
| C17 | C16 | O20 | H4 | 118.1° | 120.0° |
| C17 | C16 | C12 | C7 | 113.4° | 63.2° |
| C17 | C16 | C12 | C11 | 66.6° | 116.8° |
| C17 | C16 | O20 | C21 | 154.5° | 90.0° |
| C16 | C17 | O19 | H28 | 178.6° | 180.0° |
| C1 | C6 | C14 | C13 | 120.3° | 120.0° |
| C1 | C6 | C14 | C5 | 119.6° | 120.1° |
| C1 | C6 | C13 | C5 | 119.1° | 120.0° |
| C1 | C6 | C5 | C4 | 47.9° | 61.4° |
| C1 | C6 | C13 | H1 | 180.0° | 60.0° |
| C1 | C6 | C13 | H2 | 60.0° | 180.0° |
| C1 | C6 | C13 | H3 | 60.0° | 60.0° |
| C6 | C1 | H17 | H18 | 118.4° | 120.1° |
| C6 | C1 | C2 | H19 | 177.3° | 174.4° |
| C6 | C1 | C2 | H20 | 63.2° | 65.1° |
| C1 | C6 | C5 | H23 | 168.8° | 58.5° |
| C1 | C6 | C5 | H24 | 73.0° | 178.7° |
| C1 | C6 | C14 | H25 | 180.0° | 60.0° |
| C1 | C6 | C14 | H26 | 60.0° | 180.0° |
| C1 | C6 | C14 | H27 | 60.0° | 60.0° |
| C30 | C29 | C28 | H33 | 180.0° | 180.0° |
| C29 | C30 | C15 | H34 | 180.0° | 180.0° |
| C30 | C29 | C28 | O31 | 177.1° | 180.0° |
| C30 | C29 | C28 | C27 | 1.0° | 0.3° |
| C29 | C30 | C15 | C8 | 179.2° | 180.0° |
| C29 | C30 | C15 | C26 | 1.9° | 0.3° |
| C28 | C29 | C30 | C15 | 0.9° | 0.0° |
| C29 | C28 | O31 | C27 | 178.1° | 179.8° |
| C29 | C28 | C27 | C26 | 1.7° | 0.3° |
| C29 | C28 | C27 | H14 | 178.2° | 179.8° |
| C28 | C29 | C30 | H34 | 179.1° | 180.0° |
| C14 | C6 | C13 | C5 | 120.6° | 120.0° |
| C14 | C6 | C5 | C4 | 72.5° | 58.7° |
| C14 | C6 | C13 | H1 | 59.7° | 180.0° |
| C14 | C6 | C13 | H2 | 60.3° | 60.0° |
| C14 | C6 | C13 | H3 | 179.7° | 60.0° |
| C14 | C6 | C1 | H17 | 51.3° | 61.3° |
| C14 | C6 | C1 | H18 | 170.2° | 178.6° |
| C14 | C6 | C5 | H23 | 48.5° | 178.6° |
| C14 | C6 | C5 | H24 | 166.6° | 61.3° |
| C6 | C14 | H25 | H26 | 120.0° | 120.0° |
| C6 | C14 | H25 | H27 | 120.0° | 120.0° |
| C6 | C14 | H26 | H27 | 120.0° | 120.0° |
| C30 | C15 | C8 | C7 | 62.4° | 69.8° |
| C30 | C15 | C8 | C26 | 178.8° | 179.7° |
| C30 | C15 | C8 | C9 | 113.2° | 110.2° |
| C30 | C15 | C26 | C27 | 1.2° | 0.2° |
| C30 | C15 | C26 | H32 | 178.9° | 179.7° |
| C15 | C30 | C29 | H33 | 179.1° | 179.9° |
| C34 | C35 | C36 | H37 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.6° | 0.0° |
| C35 | C34 | C39 | C38 | 0.6° | 0.0° |
| C35 | C34 | C33 | H15 | 145.6° | 30.2° |
| C35 | C34 | C33 | H16 | 26.9° | 150.3° |
| C34 | C35 | C36 | H38 | 179.4° | 180.0° |
| C35 | C34 | C39 | H40 | 179.4° | 179.7° |
| C36 | C35 | C34 | C39 | 0.4° | 0.0° |
| C35 | C36 | C37 | H38 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C35 | C36 | C37 | F40 | 177.9° | 180.0° |
| C13 | C6 | C5 | C4 | 167.8° | 178.6° |
| C6 | C13 | H1 | H2 | 120.0° | 120.0° |
| C6 | C13 | H1 | H3 | 120.0° | 119.9° |
| C6 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C6 | C1 | H17 | 68.5° | 58.7° |
| C13 | C6 | C1 | H18 | 50.5° | 61.4° |
| C13 | C6 | C5 | H23 | 71.3° | 61.5° |
| C13 | C6 | C5 | H24 | 46.9° | 58.7° |
| C13 | C6 | C14 | H25 | 59.7° | 60.0° |
| C13 | C6 | C14 | H26 | 179.7° | 60.0° |
| C13 | C6 | C14 | H27 | 60.4° | 180.0° |
| C6 | C5 | C4 | N3 | 48.7° | 54.6° |
| C6 | C5 | C4 | H23 | 120.9° | 119.9° |
| C6 | C5 | C4 | H24 | 120.9° | 120.0° |
| C5 | C6 | C13 | H1 | 60.9° | 60.1° |
| C5 | C6 | C13 | H2 | 179.1° | 60.0° |
| C5 | C6 | C13 | H3 | 59.1° | 180.0° |
| C5 | C6 | C1 | H17 | 171.9° | 178.7° |
| C5 | C6 | C1 | H18 | 69.2° | 58.6° |
| C6 | C5 | C4 | H21 | 169.1° | 174.4° |
| C6 | C5 | C4 | H22 | 71.6° | 65.2° |
| C6 | C5 | H23 | H24 | 117.2° | 120.2° |
| C5 | C6 | C14 | H25 | 60.4° | 180.0° |
| C5 | C6 | C14 | H26 | 59.6° | 59.9° |
| C5 | C6 | C14 | H27 | 179.6° | 60.0° |
| C34 | C39 | C38 | H40 | 180.0° | 179.7° |
| C34 | C39 | C38 | C37 | 1.2° | 0.0° |
| C39 | C34 | C33 | H15 | 33.8° | 150.0° |
| C39 | C34 | C33 | H16 | 152.5° | 29.9° |
| C39 | C34 | C35 | H37 | 179.6° | 179.9° |
| C34 | C39 | C38 | H39 | 178.8° | 180.0° |
| O31 | C28 | C27 | C26 | 176.4° | 179.9° |
| O31 | C28 | C27 | H14 | 3.6° | 0.0° |
| O31 | C28 | C29 | H33 | 3.0° | 0.0° |
| C28 | O31 | C32 | H35 | 57.2° | 60.0° |
| C28 | O31 | C32 | H36 | 62.0° | 59.9° |
| C28 | C27 | C26 | C15 | 0.7° | 0.1° |
| C28 | C27 | C26 | H14 | 180.0° | 179.9° |
| C28 | C27 | C26 | H32 | 179.3° | 180.0° |
| C27 | C28 | C29 | H33 | 179.0° | 179.8° |
| C36 | C37 | C38 | C39 | 1.0° | 0.0° |
| C36 | C37 | C38 | F40 | 178.0° | 180.0° |
| C37 | C36 | C35 | H37 | 179.4° | 180.0° |
| C36 | C37 | C38 | H39 | 179.1° | 180.0° |
| C12 | C16 | O20 | H4 | 119.7° | 120.1° |
| C16 | C12 | C7 | N3 | 1.8° | 0.0° |
| C16 | C12 | C7 | C11 | 180.0° | 179.9° |
| C16 | C12 | C7 | C8 | 179.2° | 180.0° |
| C16 | C12 | C11 | C25 | 1.8° | 0.0° |
| C16 | C12 | C11 | N10 | 177.9° | 179.7° |
| C12 | C16 | O20 | C21 | 83.3° | 150.0° |
| O20 | C16 | C12 | C7 | 126.2° | 56.8° |
| O20 | C16 | C12 | C11 | 53.8° | 123.3° |
| C16 | O20 | C21 | C23 | 65.9° | 59.9° |
| C16 | O20 | C21 | C22 | 57.7° | 60.0° |
| C16 | O20 | C21 | C24 | 176.4° | 180.0° |
| N3 | C7 | C12 | C8 | 179.0° | 179.9° |
| N3 | C7 | C12 | C11 | 178.2° | 180.0° |
| N3 | C7 | C8 | C15 | 8.8° | 0.0° |
| N3 | C7 | C8 | C9 | 175.9° | 180.0° |
| C7 | N3 | C4 | C5 | 149.5° | 126.4° |
| C7 | N3 | C2 | H19 | 24.0° | 6.6° |
| C7 | N3 | C2 | H20 | 95.5° | 113.8° |
| C7 | N3 | C4 | H21 | 29.2° | 6.6° |
| C7 | N3 | C4 | H22 | 90.2° | 113.8° |
| C4 | N3 | C7 | C12 | 128.7° | 73.8° |
| C4 | N3 | C7 | C8 | 50.3° | 106.2° |
| N3 | C4 | C5 | H21 | 120.3° | 119.8° |
| N3 | C4 | C5 | H22 | 120.4° | 119.8° |
| C4 | N3 | C2 | H19 | 177.0° | 173.4° |
| C4 | N3 | C2 | H20 | 63.5° | 66.2° |
| N3 | C4 | H21 | H22 | 119.0° | 120.3° |
| N3 | C4 | C5 | H23 | 169.7° | 65.3° |
| N3 | C4 | C5 | H24 | 72.2° | 174.6° |
| C12 | C7 | C8 | C15 | 172.1° | 179.9° |
| C12 | C7 | C8 | C9 | 3.2° | 0.1° |
| C7 | C12 | C11 | C25 | 178.2° | 180.0° |
| C7 | C12 | C11 | N10 | 2.1° | 0.2° |
| C7 | C12 | C16 | H4 | 5.9° | 176.8° |
| C8 | C7 | C12 | C11 | 0.8° | 0.1° |
| C7 | C8 | C15 | C9 | 175.6° | 180.0° |
| C7 | C8 | C15 | C26 | 118.8° | 110.5° |
| C7 | C8 | C9 | N10 | 2.7° | 0.2° |
| C7 | C8 | C9 | N41 | 174.3° | 180.0° |
| C12 | C11 | C25 | N10 | 179.8° | 179.8° |
| C12 | C11 | N10 | C9 | 2.7° | 0.6° |
| C12 | C11 | N10 | C43 | 174.6° | 179.7° |
| C11 | C12 | C16 | H4 | 174.1° | 3.3° |
| C12 | C11 | C25 | H29 | 90.2° | 179.7° |
| C12 | C11 | C25 | H30 | 149.8° | 59.8° |
| C12 | C11 | C25 | H31 | 29.9° | 60.2° |
| C15 | C8 | C9 | N10 | 173.0° | 179.7° |
| C15 | C8 | C9 | N41 | 9.9° | 0.0° |
| C8 | C15 | C26 | C27 | 180.0° | 179.9° |
| C8 | C15 | C26 | H32 | 0.0° | 0.0° |
| C8 | C15 | C30 | H34 | 0.8° | 0.1° |
| C26 | C15 | C8 | C9 | 65.6° | 69.5° |
| C15 | C26 | C27 | H32 | 180.0° | 180.0° |
| C15 | C26 | C27 | H14 | 179.3° | 180.0° |
| C26 | C15 | C30 | H34 | 178.1° | 179.8° |
| C8 | C9 | N10 | C11 | 0.3° | 0.6° |
| C8 | C9 | N10 | N41 | 177.6° | 179.8° |
| C8 | C9 | N10 | C43 | 177.5° | 179.6° |
| C8 | C9 | N41 | C42 | 176.5° | 180.0° |
| C25 | C11 | N10 | C9 | 177.5° | 179.7° |
| C25 | C11 | N10 | C43 | 5.2° | 0.1° |
| C11 | C25 | H29 | H30 | 120.0° | 120.0° |
| C11 | C25 | H29 | H31 | 120.0° | 120.1° |
| C11 | C25 | H30 | H31 | 119.9° | 120.0° |
| C11 | N10 | C9 | C43 | 177.8° | 179.8° |
| C11 | N10 | C9 | N41 | 177.9° | 179.7° |
| C11 | N10 | C43 | C42 | 177.1° | 179.3° |
| N10 | C11 | C25 | H29 | 90.1° | 0.0° |
| N10 | C11 | C25 | H30 | 29.9° | 120.0° |
| N10 | C11 | C25 | H31 | 149.9° | 120.0° |
| C11 | N10 | C43 | H41 | 2.9° | 0.0° |
| N10 | C9 | N41 | C42 | 0.7° | 0.3° |
| C9 | N10 | C43 | C42 | 0.5° | 0.5° |
| C9 | N10 | C43 | H41 | 179.5° | 179.8° |
| N41 | C9 | N10 | C43 | 0.1° | 0.1° |
| C9 | N41 | C42 | C43 | 1.0° | 0.6° |
| C9 | N41 | C42 | C44 | 176.1° | 180.0° |
| N10 | C43 | C42 | N41 | 1.0° | 0.7° |
| N10 | C43 | C42 | H41 | 180.0° | 179.3° |
| N10 | C43 | C42 | C44 | 175.8° | 179.9° |
| C5 | C4 | H21 | H22 | 119.0° | 120.4° |
| C4 | C5 | H23 | H24 | 117.1° | 120.0° |
| C39 | C38 | C37 | H39 | 180.0° | 180.0° |
| C39 | C38 | C37 | F40 | 177.0° | 180.0° |
| N41 | C42 | C43 | C44 | 176.8° | 179.4° |
| N41 | C42 | C43 | H41 | 179.0° | 179.9° |
| N41 | C42 | C44 | H42 | 0.0° | 90.0° |
| N41 | C42 | C44 | H43 | 120.0° | 150.0° |
| N41 | C42 | C44 | H44 | 120.0° | 30.0° |
| O20 | C21 | C23 | C22 | 125.2° | 119.9° |
| O20 | C21 | C23 | C24 | 111.7° | 120.1° |
| O20 | C21 | C22 | C24 | 114.1° | 120.0° |
| C21 | O20 | C16 | H4 | 36.4° | 29.9° |
| O20 | C21 | C22 | H5 | 180.0° | 180.0° |
| O20 | C21 | C22 | H6 | 60.0° | 60.0° |
| O20 | C21 | C22 | H7 | 60.0° | 60.0° |
| O20 | C21 | C23 | H8 | 180.0° | 180.0° |
| O20 | C21 | C23 | H9 | 60.0° | 60.0° |
| O20 | C21 | C23 | H10 | 60.0° | 60.0° |
| O20 | C21 | C24 | H11 | 180.0° | 60.0° |
| O20 | C21 | C24 | H12 | 60.0° | 60.0° |
| O20 | C21 | C24 | H13 | 60.0° | 180.0° |
| C43 | C42 | C44 | H42 | 176.6° | 89.3° |
| C43 | C42 | C44 | H43 | 56.5° | 30.7° |
| C43 | C42 | C44 | H44 | 63.5° | 150.7° |
| C38 | C37 | C36 | H38 | 179.9° | 180.0° |
| C37 | C38 | C39 | H40 | 178.8° | 179.7° |
| F40 | C37 | C36 | H38 | 2.1° | 0.0° |
| F40 | C37 | C38 | H39 | 2.9° | 0.0° |
| C44 | C42 | C43 | H41 | 4.2° | 0.6° |
| C42 | C44 | H42 | H43 | 120.0° | 120.0° |
| C42 | C44 | H42 | H44 | 120.0° | 120.0° |
| C42 | C44 | H43 | H44 | 120.0° | 120.0° |
| C23 | C21 | C22 | C24 | 123.8° | 120.0° |
| C23 | C21 | C22 | H5 | 58.0° | 60.0° |
| C23 | C21 | C22 | H6 | 177.9° | 59.9° |
| C23 | C21 | C22 | H7 | 62.1° | 180.0° |
| C21 | C23 | H8 | H9 | 120.0° | 120.0° |
| C21 | C23 | H8 | H10 | 120.0° | 120.1° |
| C21 | C23 | H9 | H10 | 120.0° | 120.0° |
| C23 | C21 | C24 | H11 | 64.7° | 180.0° |
| C23 | C21 | C24 | H12 | 55.3° | 60.0° |
| C23 | C21 | C24 | H13 | 175.3° | 60.0° |
| C21 | C22 | H5 | H6 | 120.0° | 120.0° |
| C21 | C22 | H5 | H7 | 120.0° | 120.0° |
| C21 | C22 | H6 | H7 | 120.0° | 120.0° |
| C22 | C21 | C23 | H8 | 54.8° | 60.0° |
| C22 | C21 | C23 | H9 | 65.2° | 180.0° |
| C22 | C21 | C23 | H10 | 174.8° | 60.0° |
| C22 | C21 | C24 | H11 | 58.8° | 60.0° |
| C22 | C21 | C24 | H12 | 178.8° | 179.9° |
| C22 | C21 | C24 | H13 | 61.2° | 60.0° |
| C24 | C21 | C22 | H5 | 65.9° | 60.0° |
| C24 | C21 | C22 | H6 | 54.1° | 179.9° |
| C24 | C21 | C22 | H7 | 174.1° | 60.0° |
| C24 | C21 | C23 | H8 | 68.4° | 60.0° |
| C24 | C21 | C23 | H9 | 171.6° | 60.0° |
| C24 | C21 | C23 | H10 | 51.6° | 180.0° |
| C21 | C24 | H11 | H12 | 120.0° | 119.9° |
| C21 | C24 | H11 | H13 | 120.0° | 120.0° |
| C21 | C24 | H12 | H13 | 120.0° | 120.0° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H5 | C22 | H6 | H7 | 120.0° | 120.0° |
| H8 | C23 | H9 | H10 | 120.0° | 119.9° |
| H11 | C24 | H12 | H13 | 120.0° | 120.0° |
| H14 | C27 | C26 | H32 | 0.7° | 0.1° |
| H15 | C33 | C32 | H35 | 177.7° | 180.0° |
| H15 | C33 | C32 | H36 | 63.1° | 60.0° |
| H16 | C33 | C32 | H35 | 63.7° | 60.0° |
| H16 | C33 | C32 | H36 | 55.6° | 180.0° |
| H17 | C1 | C2 | H19 | 62.2° | 65.6° |
| H17 | C1 | C2 | H20 | 57.3° | 54.8° |
| H18 | C1 | C2 | H19 | 56.8° | 54.4° |
| H18 | C1 | C2 | H20 | 176.3° | 174.9° |
| H21 | C4 | C5 | H23 | 70.0° | 54.5° |
| H21 | C4 | C5 | H24 | 48.1° | 65.6° |
| H22 | C4 | C5 | H23 | 49.3° | 174.9° |
| H22 | C4 | C5 | H24 | 167.4° | 54.8° |
| H25 | C14 | H26 | H27 | 120.0° | 120.0° |
| H29 | C25 | H30 | H31 | 120.0° | 120.0° |
| H33 | C29 | C30 | H34 | 0.9° | 0.0° |
| H37 | C35 | C36 | H38 | 0.6° | 0.1° |
| H39 | C38 | C39 | H40 | 1.2° | 0.3° |
| H42 | C44 | H43 | H44 | 120.0° | 120.0° |
