Z8I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O45 | C44 | sing | 1.43Å | 1.44Å | |
| C47 | C44 | sing | 1.53Å | 1.52Å | |
| O22 | S15 | doub | 1.42Å | 1.44Å | |
| C46 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| O23 | S15 | doub | 1.42Å | 1.44Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | C5 | sing | 1.55Å | 1.55Å | |
| S15 | C5 | sing | 1.81Å | 1.85Å | |
| S15 | C16 | sing | 1.76Å | 1.76Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.47Å | 1.48Å | |
| F29 | C25 | sing | 1.40Å | 1.34Å | |
| C43 | N40 | sing | 1.46Å | 1.49Å | |
| C5 | C9 | sing | 1.50Å | 1.53Å | |
| C5 | C4 | sing | 1.54Å | 1.56Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | N40 | sing | 1.47Å | 1.48Å | |
| C35 | C34 | sing | 1.51Å | 1.54Å | |
| C35 | C37 | sing | 1.54Å | 1.54Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| N3 | C34 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.48Å | 1.47Å | |
| N40 | C39 | sing | 1.34Å | 1.34Å | |
| F32 | C24 | sing | 1.40Å | 1.33Å | |
| C34 | O36 | doub | 1.21Å | 1.22Å | |
| F28 | C25 | sing | 1.40Å | 1.33Å | |
| C25 | F27 | sing | 1.40Å | 1.34Å | |
| C25 | C14 | sing | 1.53Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.55Å | 1.50Å | |
| C11 | C14 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | O41 | doub | 1.21Å | 1.22Å | |
| C39 | C38 | sing | 1.51Å | 1.54Å | |
| C8 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C14 | C24 | sing | 1.53Å | 1.54Å | |
| C14 | F26 | sing | 1.40Å | 1.38Å | |
| C24 | F31 | sing | 1.40Å | 1.33Å | |
| C24 | F30 | sing | 1.40Å | 1.33Å | |
| C21 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | F33 | sing | 1.35Å | 1.35Å | |
| C38 | F42 | sing | 1.40Å | 1.38Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C1 | H49 | sing | 1.09Å | 1.10Å | |
| C1 | H48 | sing | 1.09Å | 1.10Å | |
| C2 | H50 | sing | 1.09Å | 1.10Å | |
| C2 | H51 | sing | 1.09Å | 1.10Å | |
| C4 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H53 | sing | 1.09Å | 1.10Å | |
| C6 | H54 | sing | 1.09Å | 1.10Å | |
| C7 | H56 | sing | 1.09Å | 1.10Å | |
| C7 | H55 | sing | 1.09Å | 1.10Å | |
| C10 | H57 | sing | 1.08Å | 1.08Å | |
| C12 | H58 | sing | 1.08Å | 1.08Å | |
| C13 | H59 | sing | 1.08Å | 1.08Å | |
| C17 | H60 | sing | 1.08Å | 1.08Å | |
| C18 | H61 | sing | 1.08Å | 1.08Å | |
| C19 | H62 | sing | 1.08Å | 1.08Å | |
| C20 | H63 | sing | 1.08Å | 1.08Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C43 | H69 | sing | 1.09Å | 1.10Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| O45 | H70 | sing | 0.97Å | 0.95Å | |
| C46 | H71 | sing | 1.09Å | 1.10Å | |
| C46 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | H72 | sing | 1.09Å | 1.10Å | |
| C47 | H75 | sing | 1.09Å | 1.10Å | |
| C47 | H74 | sing | 1.09Å | 1.10Å | |
| C47 | H76 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O45 | C44 | C47 | 107.9° | 109.5° |
| O45 | C44 | C46 | 108.8° | 109.5° |
| O45 | C44 | C43 | 108.2° | 109.5° |
| C44 | O45 | H70 | 109.5° | 114.0° |
| C47 | C44 | C46 | 111.0° | 109.5° |
| C47 | C44 | C43 | 109.6° | 109.5° |
| C44 | C47 | H75 | 109.5° | 109.4° |
| C44 | C47 | H74 | 109.5° | 109.5° |
| C44 | C47 | H76 | 109.5° | 109.4° |
| O22 | S15 | O23 | 118.2° | 121.1° |
| O22 | S15 | C5 | 108.8° | 110.6° |
| O22 | S15 | C16 | 108.4° | 104.2° |
| C46 | C44 | C43 | 111.2° | 109.5° |
| C44 | C46 | H71 | 109.5° | 109.4° |
| C44 | C46 | H73 | 109.5° | 109.5° |
| C44 | C46 | H72 | 109.5° | 109.4° |
| C44 | C43 | N40 | 115.0° | 109.5° |
| C44 | C43 | H69 | 108.1° | 109.5° |
| C44 | C43 | H68 | 108.0° | 109.5° |
| O23 | S15 | C5 | 108.3° | 110.6° |
| O23 | S15 | C16 | 107.9° | 104.2° |
| C2 | C1 | C5 | 105.9° | 102.7° |
| C1 | C2 | N3 | 104.1° | 107.3° |
| C2 | C1 | H49 | 110.3° | 110.8° |
| C2 | C1 | H48 | 110.3° | 110.8° |
| C1 | C2 | H50 | 110.8° | 109.9° |
| C1 | C2 | H51 | 110.8° | 109.9° |
| C1 | C5 | S15 | 111.8° | 110.0° |
| C1 | C5 | C9 | 110.9° | 110.5° |
| C1 | C5 | C4 | 106.6° | 102.4° |
| C5 | C1 | H49 | 110.3° | 110.7° |
| C5 | C1 | H48 | 110.4° | 110.8° |
| C5 | S15 | C16 | 104.2° | 104.5° |
| S15 | C5 | C9 | 103.7° | 110.0° |
| S15 | C5 | C4 | 109.6° | 110.6° |
| S15 | C16 | C20 | 119.6° | 120.0° |
| S15 | C16 | C17 | 119.4° | 120.0° |
| C12 | C13 | C9 | 121.4° | 120.7° |
| C13 | C12 | C11 | 120.7° | 119.9° |
| C13 | C12 | H58 | 119.7° | 120.0° |
| C12 | C13 | H59 | 119.3° | 119.6° |
| C13 | C9 | C5 | 120.8° | 117.6° |
| C13 | C9 | C8 | 118.5° | 119.1° |
| C9 | C13 | H59 | 119.3° | 119.7° |
| C2 | N3 | C34 | 130.1° | 125.7° |
| C2 | N3 | C4 | 110.1° | 108.7° |
| N3 | C2 | H50 | 110.8° | 109.9° |
| N3 | C2 | H51 | 110.8° | 109.9° |
| F29 | C25 | F28 | 107.8° | 109.5° |
| F29 | C25 | F27 | 107.1° | 109.5° |
| F29 | C25 | C14 | 111.5° | 109.5° |
| C43 | N40 | C35 | 124.4° | 124.4° |
| C43 | N40 | C39 | 122.0° | 124.3° |
| N40 | C43 | H69 | 108.0° | 109.4° |
| N40 | C43 | H68 | 108.1° | 109.5° |
| C9 | C5 | C4 | 114.4° | 113.1° |
| C5 | C9 | C8 | 120.6° | 123.3° |
| C5 | C4 | N3 | 102.5° | 104.7° |
| C5 | C4 | C6 | 116.2° | 109.6° |
| C5 | C4 | H52 | 108.0° | 111.9° |
| C12 | C11 | C14 | 121.9° | 120.2° |
| C12 | C11 | C10 | 117.9° | 119.6° |
| C11 | C12 | H58 | 119.7° | 120.0° |
| C16 | C20 | C19 | 119.4° | 120.0° |
| C20 | C16 | C17 | 121.0° | 120.1° |
| C16 | C20 | H63 | 120.3° | 120.0° |
| C20 | C19 | C21 | 118.5° | 120.0° |
| C20 | C19 | H62 | 120.7° | 120.0° |
| C19 | C20 | H63 | 120.3° | 120.0° |
| C16 | C17 | C18 | 119.4° | 120.0° |
| C16 | C17 | H60 | 120.3° | 120.0° |
| N40 | C35 | C34 | 111.3° | 110.3° |
| N40 | C35 | C37 | 102.9° | 105.5° |
| C35 | N40 | C39 | 113.7° | 111.3° |
| N40 | C35 | H64 | 111.2° | 110.3° |
| C34 | C35 | C37 | 110.6° | 110.3° |
| C35 | C34 | N3 | 119.4° | 120.0° |
| C35 | C34 | O36 | 119.6° | 120.0° |
| C34 | C35 | H64 | 110.4° | 110.2° |
| C35 | C37 | C38 | 104.4° | 101.8° |
| C37 | C35 | H64 | 110.4° | 110.3° |
| C35 | C37 | H66 | 110.7° | 111.0° |
| C35 | C37 | H65 | 110.7° | 111.0° |
| C9 | C8 | C10 | 119.3° | 120.2° |
| C9 | C8 | C7 | 122.0° | 121.7° |
| C34 | N3 | C4 | 119.8° | 125.7° |
| N3 | C34 | O36 | 121.0° | 120.0° |
| N3 | C4 | C6 | 112.1° | 107.9° |
| N3 | C4 | H52 | 109.2° | 111.3° |
| N40 | C39 | O41 | 126.2° | 125.0° |
| N40 | C39 | C38 | 106.8° | 110.1° |
| F32 | C24 | C14 | 111.7° | 109.5° |
| F32 | C24 | F31 | 107.3° | 109.5° |
| F32 | C24 | F30 | 107.3° | 109.5° |
| F28 | C25 | F27 | 107.8° | 109.5° |
| F28 | C25 | C14 | 111.6° | 109.5° |
| F27 | C25 | C14 | 110.8° | 109.4° |
| C25 | C14 | C11 | 114.2° | 109.5° |
| C25 | C14 | C24 | 110.8° | 109.5° |
| C25 | C14 | F26 | 104.8° | 109.5° |
| C4 | C6 | C7 | 109.6° | 109.3° |
| C6 | C4 | H52 | 108.5° | 111.2° |
| C4 | C6 | H53 | 109.5° | 109.5° |
| C4 | C6 | H54 | 109.4° | 109.5° |
| C19 | C21 | C18 | 123.2° | 119.9° |
| C19 | C21 | F33 | 118.4° | 120.1° |
| C21 | C19 | H62 | 120.8° | 120.0° |
| C17 | C18 | C21 | 118.5° | 120.0° |
| C18 | C17 | H60 | 120.3° | 120.0° |
| C17 | C18 | H61 | 120.7° | 120.0° |
| C37 | C38 | C39 | 103.4° | 104.2° |
| C37 | C38 | F42 | 109.2° | 110.5° |
| C38 | C37 | H66 | 110.7° | 111.0° |
| C38 | C37 | H65 | 110.7° | 111.0° |
| C37 | C38 | H67 | 110.8° | 110.5° |
| C14 | C11 | C10 | 120.2° | 120.2° |
| C11 | C14 | C24 | 110.5° | 109.4° |
| C11 | C14 | F26 | 111.2° | 109.5° |
| C11 | C10 | C8 | 122.3° | 120.5° |
| C11 | C10 | H57 | 118.9° | 119.8° |
| O41 | C39 | C38 | 127.1° | 124.9° |
| C39 | C38 | F42 | 110.2° | 110.5° |
| C39 | C38 | H67 | 110.2° | 110.6° |
| C10 | C8 | C7 | 118.7° | 118.1° |
| C8 | C10 | H57 | 118.9° | 119.8° |
| C8 | C7 | C6 | 112.0° | 109.7° |
| C8 | C7 | H56 | 108.8° | 109.4° |
| C8 | C7 | H55 | 108.8° | 109.4° |
| C24 | C14 | F26 | 104.8° | 109.4° |
| C14 | C24 | F31 | 110.8° | 109.4° |
| C14 | C24 | F30 | 111.8° | 109.5° |
| F31 | C24 | F30 | 107.7° | 109.5° |
| C18 | C21 | F33 | 118.4° | 120.0° |
| C21 | C18 | H61 | 120.8° | 120.0° |
| F42 | C38 | H67 | 112.7° | 110.4° |
| C7 | C6 | H53 | 109.4° | 109.5° |
| C7 | C6 | H54 | 109.4° | 109.5° |
| C6 | C7 | H56 | 108.8° | 109.4° |
| C6 | C7 | H55 | 108.9° | 109.4° |
| H49 | C1 | H48 | 109.5° | 110.8° |
| H50 | C2 | H51 | 109.5° | 110.0° |
| H53 | C6 | H54 | 109.5° | 109.5° |
| H56 | C7 | H55 | 109.5° | 109.5° |
| H66 | C37 | H65 | 109.5° | 110.8° |
| H69 | C43 | H68 | 109.5° | 109.4° |
| H71 | C46 | H73 | 109.5° | 109.5° |
| H71 | C46 | H72 | 109.5° | 109.5° |
| H73 | C46 | H72 | 109.5° | 109.5° |
| H75 | C47 | H74 | 109.4° | 109.5° |
| H75 | C47 | H76 | 109.5° | 109.5° |
| H74 | C47 | H76 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O45 | C44 | C47 | C46 | 119.1° | 120.0° |
| O45 | C44 | C47 | C43 | 117.7° | 120.0° |
| O45 | C44 | C46 | C43 | 119.1° | 120.0° |
| O45 | C44 | C43 | N40 | 67.5° | 62.6° |
| O45 | C44 | C43 | H69 | 171.7° | 57.3° |
| O45 | C44 | C43 | H68 | 53.3° | 177.3° |
| O45 | C44 | C46 | H71 | 180.0° | 180.0° |
| O45 | C44 | C46 | H73 | 60.0° | 60.0° |
| O45 | C44 | C46 | H72 | 60.0° | 60.0° |
| O45 | C44 | C47 | H75 | 180.0° | 54.5° |
| O45 | C44 | C47 | H74 | 60.0° | 65.6° |
| O45 | C44 | C47 | H76 | 60.0° | 174.4° |
| C47 | C44 | C46 | C43 | 122.3° | 120.0° |
| C47 | C44 | C43 | N40 | 175.0° | 57.4° |
| C47 | C44 | C43 | H69 | 54.2° | 177.4° |
| C47 | C44 | C43 | H68 | 64.2° | 62.7° |
| C47 | C44 | O45 | H70 | 180.0° | 59.9° |
| C47 | C44 | C46 | H71 | 61.4° | 60.0° |
| C47 | C44 | C46 | H73 | 178.6° | 60.0° |
| C47 | C44 | C46 | H72 | 58.5° | 180.0° |
| C44 | C47 | H75 | H74 | 120.0° | 120.0° |
| C44 | C47 | H75 | H76 | 120.0° | 119.9° |
| C44 | C47 | H74 | H76 | 120.0° | 120.0° |
| O22 | S15 | O23 | C5 | 124.3° | 131.6° |
| O22 | S15 | O23 | C16 | 123.4° | 116.7° |
| O22 | S15 | C5 | C1 | 55.6° | 74.8° |
| O22 | S15 | C5 | C16 | 115.5° | 111.6° |
| O22 | S15 | C5 | C9 | 63.9° | 163.3° |
| O22 | S15 | C5 | C4 | 173.6° | 37.6° |
| O22 | S15 | C16 | C20 | 22.9° | 147.7° |
| O22 | S15 | C16 | C17 | 158.9° | 32.1° |
| C46 | C44 | C43 | N40 | 51.9° | 177.4° |
| C46 | C44 | C43 | H69 | 68.9° | 62.6° |
| C46 | C44 | C43 | H68 | 172.7° | 57.3° |
| C46 | C44 | O45 | H70 | 59.5° | 60.0° |
| C44 | C46 | H71 | H73 | 120.0° | 120.0° |
| C44 | C46 | H71 | H72 | 120.0° | 119.9° |
| C44 | C46 | H73 | H72 | 120.0° | 119.9° |
| C46 | C44 | C47 | H75 | 60.9° | 174.5° |
| C46 | C44 | C47 | H74 | 59.1° | 54.4° |
| C46 | C44 | C47 | H76 | 179.1° | 65.6° |
| C44 | C43 | N40 | H69 | 120.8° | 120.0° |
| C44 | C43 | N40 | H68 | 120.8° | 120.0° |
| C44 | C43 | N40 | C35 | 69.1° | 85.3° |
| C44 | C43 | N40 | C39 | 111.4° | 94.8° |
| C44 | C43 | H69 | H68 | 117.5° | 120.0° |
| C43 | C44 | O45 | H70 | 61.4° | 180.0° |
| C43 | C44 | C46 | H71 | 60.9° | 60.0° |
| C43 | C44 | C46 | H73 | 59.1° | 180.0° |
| C43 | C44 | C46 | H72 | 179.2° | 60.0° |
| C43 | C44 | C47 | H75 | 62.3° | 65.5° |
| C43 | C44 | C47 | H74 | 177.7° | 174.4° |
| C43 | C44 | C47 | H76 | 57.7° | 54.4° |
| O23 | S15 | C5 | C1 | 74.1° | 62.0° |
| O23 | S15 | C5 | C16 | 114.7° | 111.6° |
| O23 | S15 | C5 | C9 | 166.3° | 59.9° |
| O23 | S15 | C5 | C4 | 43.8° | 174.4° |
| O23 | S15 | C16 | C20 | 152.0° | 19.9° |
| O23 | S15 | C16 | C17 | 29.7° | 159.9° |
| C2 | C1 | C5 | H49 | 119.4° | 118.4° |
| C2 | C1 | C5 | H48 | 119.5° | 118.3° |
| C2 | C1 | C5 | S15 | 120.2° | 82.5° |
| C1 | C2 | N3 | H50 | 119.1° | 119.4° |
| C1 | C2 | N3 | H51 | 119.1° | 119.4° |
| C2 | C1 | C5 | C9 | 124.6° | 155.9° |
| C2 | C1 | C5 | C4 | 0.5° | 35.1° |
| C1 | C2 | N3 | C34 | 147.1° | 178.8° |
| C1 | C2 | N3 | C4 | 33.2° | 1.2° |
| C2 | C1 | H49 | H48 | 121.6° | 123.4° |
| C1 | C2 | H50 | H51 | 122.5° | 121.1° |
| C1 | C5 | S15 | C9 | 119.5° | 121.9° |
| C1 | C5 | S15 | C4 | 118.0° | 112.4° |
| C1 | C5 | S15 | C16 | 171.1° | 173.6° |
| C1 | C5 | C9 | C13 | 52.2° | 74.1° |
| C5 | C1 | C2 | N3 | 19.3° | 21.6° |
| C1 | C5 | C9 | C4 | 120.6° | 114.1° |
| C1 | C5 | C9 | C8 | 130.5° | 105.9° |
| C1 | C5 | C4 | N3 | 18.4° | 36.7° |
| C1 | C5 | C4 | C6 | 104.3° | 78.9° |
| C5 | C1 | H49 | H48 | 121.7° | 123.3° |
| C5 | C1 | C2 | H50 | 99.9° | 141.1° |
| C5 | C1 | C2 | H51 | 138.4° | 97.8° |
| C1 | C5 | C4 | H52 | 133.6° | 157.3° |
| S15 | C5 | C9 | C13 | 67.9° | 47.5° |
| S15 | C5 | C9 | C4 | 119.3° | 124.2° |
| C5 | S15 | C16 | C20 | 92.9° | 96.2° |
| C5 | S15 | C16 | C17 | 85.3° | 84.0° |
| S15 | C5 | C9 | C8 | 109.4° | 132.5° |
| S15 | C5 | C4 | N3 | 102.8° | 80.5° |
| S15 | C5 | C4 | C6 | 134.6° | 164.0° |
| S15 | C5 | C1 | H49 | 0.8° | 35.8° |
| S15 | C5 | C1 | H48 | 120.3° | 159.2° |
| S15 | C5 | C4 | H52 | 12.5° | 40.1° |
| C16 | S15 | C5 | C9 | 51.6° | 51.7° |
| C16 | S15 | C5 | C4 | 70.9° | 74.0° |
| S15 | C16 | C20 | C17 | 178.2° | 179.8° |
| S15 | C16 | C20 | C19 | 177.3° | 180.0° |
| S15 | C16 | C17 | C18 | 177.3° | 180.0° |
| S15 | C16 | C17 | H60 | 2.7° | 0.1° |
| S15 | C16 | C20 | H63 | 2.7° | 0.1° |
| C12 | C13 | C9 | H59 | 180.0° | 180.0° |
| C12 | C13 | C9 | C5 | 176.1° | 180.0° |
| C13 | C12 | C11 | H58 | 180.0° | 180.0° |
| C12 | C13 | C9 | C8 | 1.3° | 0.0° |
| C13 | C12 | C11 | C14 | 176.6° | 180.0° |
| C13 | C12 | C11 | C10 | 1.3° | 0.0° |
| C13 | C9 | C5 | C8 | 177.4° | 180.0° |
| C13 | C9 | C5 | C4 | 172.8° | 171.7° |
| C9 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C9 | C8 | C10 | 1.4° | 0.1° |
| C13 | C9 | C8 | C7 | 178.4° | 180.0° |
| C9 | C13 | C12 | H58 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 32.3° | 23.9° |
| C2 | N3 | C34 | C35 | 10.2° | 0.0° |
| C2 | N3 | C34 | C4 | 179.7° | 180.0° |
| C2 | N3 | C34 | O36 | 170.0° | 180.0° |
| C2 | N3 | C4 | C6 | 93.0° | 92.8° |
| N3 | C2 | C1 | H49 | 100.1° | 139.9° |
| N3 | C2 | C1 | H48 | 138.8° | 96.7° |
| N3 | C2 | H50 | H51 | 122.5° | 121.1° |
| C2 | N3 | C4 | H52 | 146.6° | 144.9° |
| F29 | C25 | F28 | F27 | 115.4° | 120.0° |
| F29 | C25 | F28 | C14 | 122.8° | 120.0° |
| F29 | C25 | F27 | C14 | 121.8° | 120.0° |
| F29 | C25 | C14 | C11 | 71.4° | 60.0° |
| F29 | C25 | C14 | C24 | 54.1° | 60.0° |
| F29 | C25 | C14 | F26 | 166.7° | 180.0° |
| C43 | N40 | C35 | C39 | 179.5° | 179.9° |
| C43 | N40 | C35 | C34 | 69.2° | 78.0° |
| C43 | N40 | C35 | C37 | 172.4° | 163.0° |
| C43 | N40 | C39 | O41 | 11.0° | 0.3° |
| C43 | N40 | C39 | C38 | 168.8° | 179.6° |
| C43 | N40 | C35 | H64 | 54.2° | 43.9° |
| N40 | C43 | H69 | H68 | 117.5° | 120.0° |
| C9 | C5 | C4 | N3 | 141.3° | 155.6° |
| C9 | C5 | C4 | C6 | 18.7° | 40.1° |
| C5 | C9 | C8 | C10 | 176.0° | 180.0° |
| C5 | C9 | C8 | C7 | 4.2° | 0.0° |
| C9 | C5 | C1 | H49 | 116.0° | 85.7° |
| C9 | C5 | C1 | H48 | 5.1° | 37.6° |
| C9 | C5 | C4 | H52 | 103.5° | 83.8° |
| C5 | C9 | C13 | H59 | 3.9° | 0.0° |
| C4 | C5 | C9 | C8 | 9.8° | 8.3° |
| C5 | C4 | N3 | C34 | 148.0° | 156.1° |
| C5 | C4 | N3 | C6 | 125.3° | 116.7° |
| C5 | C4 | N3 | H52 | 114.4° | 121.0° |
| C5 | C4 | C6 | H52 | 121.9° | 124.2° |
| C5 | C4 | C6 | C7 | 51.1° | 65.4° |
| C4 | C5 | C1 | H49 | 118.9° | 153.5° |
| C4 | C5 | C1 | H48 | 120.0° | 83.2° |
| C5 | C4 | C6 | H53 | 69.0° | 54.6° |
| C5 | C4 | C6 | H54 | 171.1° | 174.7° |
| C12 | C11 | C14 | C25 | 34.0° | 103.8° |
| C12 | C11 | C14 | C10 | 177.9° | 179.9° |
| C12 | C11 | C10 | C8 | 1.2° | 0.0° |
| C12 | C11 | C14 | C24 | 91.7° | 16.2° |
| C12 | C11 | C14 | F26 | 152.3° | 136.2° |
| C12 | C11 | C10 | H57 | 178.8° | 180.0° |
| C11 | C12 | C13 | H59 | 180.0° | 180.0° |
| C16 | C20 | C19 | H63 | 180.0° | 179.9° |
| C16 | C20 | C19 | C21 | 0.1° | 0.1° |
| C20 | C16 | C17 | C18 | 0.9° | 0.2° |
| C20 | C16 | C17 | H60 | 179.1° | 179.7° |
| C16 | C20 | C19 | H62 | 179.9° | 179.8° |
| C19 | C20 | C16 | C17 | 0.9° | 0.2° |
| C20 | C19 | C21 | H62 | 180.0° | 179.7° |
| C20 | C19 | C21 | C18 | 0.6° | 0.3° |
| C20 | C19 | C21 | F33 | 178.7° | 180.0° |
| C16 | C17 | C18 | H60 | 180.0° | 179.9° |
| C16 | C17 | C18 | C21 | 0.2° | 0.0° |
| C16 | C17 | C18 | H61 | 179.8° | 180.0° |
| C17 | C16 | C20 | H63 | 179.1° | 179.7° |
| N40 | C35 | C34 | C37 | 113.7° | 116.0° |
| N40 | C35 | C34 | H64 | 123.9° | 122.0° |
| N40 | C35 | C37 | H64 | 118.7° | 119.0° |
| N40 | C35 | C34 | N3 | 170.1° | 162.3° |
| N40 | C35 | C34 | O36 | 10.1° | 17.8° |
| N40 | C35 | C37 | C38 | 23.7° | 25.4° |
| C35 | N40 | C39 | O41 | 169.5° | 179.6° |
| C35 | N40 | C39 | C38 | 10.7° | 0.5° |
| N40 | C35 | C37 | H66 | 142.9° | 143.6° |
| N40 | C35 | C37 | H65 | 95.4° | 92.7° |
| C35 | N40 | C43 | H69 | 170.1° | 34.7° |
| C35 | N40 | C43 | H68 | 51.7° | 154.7° |
| C34 | C35 | C37 | H64 | 122.4° | 122.0° |
| C35 | C34 | N3 | O36 | 179.8° | 180.0° |
| C35 | C34 | N3 | C4 | 169.5° | 180.0° |
| C34 | C35 | N40 | C39 | 110.3° | 101.9° |
| C34 | C35 | C37 | C38 | 95.2° | 93.6° |
| C34 | C35 | C37 | H66 | 24.0° | 24.6° |
| C34 | C35 | C37 | H65 | 145.7° | 148.3° |
| C37 | C35 | C34 | N3 | 76.2° | 81.7° |
| C37 | C35 | N40 | C39 | 8.1° | 17.1° |
| C37 | C35 | C34 | O36 | 103.6° | 98.3° |
| C35 | C37 | C38 | H66 | 119.2° | 118.2° |
| C35 | C37 | C38 | H65 | 119.2° | 118.2° |
| C35 | C37 | C38 | C39 | 29.7° | 24.8° |
| C35 | C37 | C38 | F42 | 147.1° | 143.5° |
| C35 | C37 | H66 | H65 | 122.4° | 123.9° |
| C35 | C37 | C38 | H67 | 88.3° | 94.0° |
| C9 | C8 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C10 | C7 | 179.8° | 179.9° |
| C9 | C8 | C7 | C6 | 29.6° | 24.1° |
| C9 | C8 | C7 | H56 | 90.7° | 144.1° |
| C9 | C8 | C7 | H55 | 150.0° | 96.0° |
| C9 | C8 | C10 | H57 | 179.9° | 179.9° |
| C8 | C9 | C13 | H59 | 178.7° | 180.0° |
| C34 | N3 | C4 | C6 | 86.7° | 87.2° |
| C34 | N3 | C2 | H50 | 93.7° | 61.8° |
| C34 | N3 | C2 | H51 | 28.0° | 59.4° |
| C34 | N3 | C4 | H52 | 33.7° | 35.1° |
| N3 | C34 | C35 | H64 | 46.2° | 40.3° |
| C4 | N3 | C34 | O36 | 10.3° | 0.0° |
| N3 | C4 | C6 | H52 | 120.7° | 122.3° |
| N3 | C4 | C6 | C7 | 168.5° | 178.9° |
| C4 | N3 | C2 | H50 | 86.0° | 118.2° |
| C4 | N3 | C2 | H51 | 152.3° | 120.6° |
| N3 | C4 | C6 | H53 | 48.5° | 58.9° |
| N3 | C4 | C6 | H54 | 71.5° | 61.2° |
| N40 | C39 | C38 | C37 | 25.5° | 16.2° |
| N40 | C39 | O41 | C38 | 179.7° | 179.9° |
| N40 | C39 | C38 | F42 | 142.2° | 134.9° |
| C39 | N40 | C35 | H64 | 126.3° | 136.1° |
| N40 | C39 | C38 | H67 | 92.9° | 102.5° |
| C39 | N40 | C43 | H69 | 9.4° | 145.2° |
| C39 | N40 | C43 | H68 | 127.8° | 25.2° |
| F32 | C24 | C14 | C25 | 62.9° | 66.2° |
| F32 | C24 | C14 | C11 | 64.7° | 173.8° |
| F32 | C24 | C14 | F31 | 119.6° | 120.0° |
| F32 | C24 | C14 | F30 | 120.3° | 120.0° |
| F32 | C24 | C14 | F26 | 175.4° | 53.9° |
| F32 | C24 | F31 | F30 | 115.3° | 120.0° |
| O36 | C34 | C35 | H64 | 134.0° | 139.7° |
| F28 | C25 | F27 | C14 | 122.4° | 120.0° |
| F28 | C25 | C14 | C11 | 49.3° | 180.0° |
| F28 | C25 | C14 | C24 | 174.8° | 60.0° |
| F28 | C25 | C14 | F26 | 72.6° | 59.9° |
| F27 | C25 | C14 | C11 | 169.4° | 60.0° |
| F27 | C25 | C14 | C24 | 65.1° | 180.0° |
| F27 | C25 | C14 | F26 | 47.5° | 60.0° |
| C25 | C14 | C11 | C24 | 125.7° | 120.0° |
| C25 | C14 | C11 | F26 | 118.3° | 120.1° |
| C25 | C14 | C11 | C10 | 148.1° | 76.2° |
| C25 | C14 | C24 | F26 | 112.5° | 120.0° |
| C25 | C14 | C24 | F31 | 56.7° | 53.8° |
| C25 | C14 | C24 | F30 | 176.8° | 173.8° |
| C4 | C6 | C7 | C8 | 55.5° | 56.0° |
| C4 | C6 | C7 | H53 | 120.1° | 120.0° |
| C4 | C6 | C7 | H54 | 120.0° | 119.9° |
| C4 | C6 | H53 | H54 | 119.9° | 120.1° |
| C4 | C6 | C7 | H56 | 64.8° | 176.0° |
| C4 | C6 | C7 | H55 | 175.9° | 64.1° |
| C19 | C21 | C18 | C17 | 0.5° | 0.3° |
| C19 | C21 | C18 | F33 | 179.3° | 179.7° |
| C19 | C21 | C18 | H61 | 179.5° | 179.7° |
| C21 | C19 | C20 | H63 | 179.8° | 180.0° |
| C17 | C18 | C21 | H61 | 180.0° | 180.0° |
| C17 | C18 | C21 | F33 | 178.8° | 180.0° |
| C37 | C38 | C39 | O41 | 154.7° | 163.7° |
| C37 | C38 | C39 | F42 | 116.6° | 118.7° |
| C37 | C38 | C39 | H67 | 118.4° | 118.7° |
| C37 | C38 | F42 | H67 | 123.5° | 122.5° |
| C38 | C37 | C35 | H64 | 142.4° | 144.5° |
| C38 | C37 | H66 | H65 | 122.4° | 123.8° |
| C14 | C11 | C10 | C8 | 176.7° | 179.9° |
| C11 | C14 | C24 | F26 | 119.9° | 119.9° |
| C11 | C14 | C24 | F31 | 175.7° | 66.2° |
| C11 | C14 | C24 | F30 | 55.6° | 53.8° |
| C14 | C11 | C10 | H57 | 3.3° | 0.1° |
| C14 | C11 | C12 | H58 | 3.4° | 0.0° |
| C11 | C10 | C8 | H57 | 180.0° | 180.0° |
| C11 | C10 | C8 | C7 | 179.6° | 180.0° |
| C10 | C11 | C14 | C24 | 86.2° | 163.8° |
| C10 | C11 | C14 | F26 | 29.8° | 43.9° |
| C10 | C11 | C12 | H58 | 178.7° | 179.9° |
| O41 | C39 | C38 | F42 | 38.0° | 45.0° |
| O41 | C39 | C38 | H67 | 86.9° | 77.5° |
| C39 | C38 | F42 | H67 | 123.5° | 122.7° |
| C39 | C38 | C37 | H66 | 148.9° | 142.9° |
| C39 | C38 | C37 | H65 | 89.4° | 93.4° |
| C10 | C8 | C7 | C6 | 150.1° | 156.0° |
| C10 | C8 | C7 | H56 | 89.5° | 36.0° |
| C10 | C8 | C7 | H55 | 29.7° | 83.9° |
| C8 | C7 | C6 | H56 | 120.4° | 120.0° |
| C8 | C7 | C6 | H55 | 120.4° | 120.1° |
| C8 | C7 | C6 | H53 | 64.5° | 64.0° |
| C8 | C7 | C6 | H54 | 175.5° | 175.9° |
| C8 | C7 | H56 | H55 | 118.9° | 119.9° |
| C7 | C8 | C10 | H57 | 0.4° | 0.0° |
| C14 | C24 | F31 | F30 | 122.6° | 120.0° |
| F26 | C14 | C24 | F31 | 55.8° | 173.8° |
| F26 | C14 | C24 | F30 | 64.3° | 66.2° |
| C21 | C18 | C17 | H60 | 179.8° | 179.9° |
| C18 | C21 | C19 | H62 | 179.4° | 180.0° |
| F33 | C21 | C18 | H61 | 1.2° | 0.0° |
| F33 | C21 | C19 | H62 | 1.3° | 0.3° |
| F42 | C38 | C37 | H66 | 93.7° | 98.4° |
| F42 | C38 | C37 | H65 | 27.9° | 25.3° |
| C7 | C6 | C4 | H52 | 70.8° | 58.8° |
| C7 | C6 | H53 | H54 | 119.9° | 120.1° |
| C6 | C7 | H56 | H55 | 118.9° | 119.9° |
| H49 | C1 | C2 | H50 | 140.7° | 100.7° |
| H49 | C1 | C2 | H51 | 19.0° | 20.5° |
| H48 | C1 | C2 | H50 | 19.6° | 22.8° |
| H48 | C1 | C2 | H51 | 102.1° | 143.9° |
| H52 | C4 | C6 | H53 | 169.2° | 178.8° |
| H52 | C4 | C6 | H54 | 49.2° | 61.1° |
| H53 | C6 | C7 | H56 | 175.1° | 56.0° |
| H53 | C6 | C7 | H55 | 55.8° | 175.9° |
| H54 | C6 | C7 | H56 | 55.2° | 64.0° |
| H54 | C6 | C7 | H55 | 64.1° | 55.9° |
| H58 | C12 | C13 | H59 | 0.0° | 0.1° |
| H60 | C17 | C18 | H61 | 0.2° | 0.0° |
| H62 | C19 | C20 | H63 | 0.2° | 0.3° |
| H64 | C35 | C37 | H66 | 98.4° | 97.4° |
| H64 | C35 | C37 | H65 | 23.3° | 26.4° |
| H66 | C37 | C38 | H67 | 30.9° | 24.1° |
| H65 | C37 | C38 | H67 | 152.6° | 147.8° |
| H71 | C46 | H73 | H72 | 120.0° | 120.1° |
| H75 | C47 | H74 | H76 | 120.0° | 120.0° |
