I0M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | N27 | sing | 1.47Å | 1.49Å | |
| N27 | C26 | sing | 1.47Å | 1.49Å | |
| N27 | C28 | sing | 1.47Å | 1.49Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C25 | N24 | sing | 1.47Å | 1.47Å | |
| C29 | N24 | sing | 1.47Å | 1.47Å | |
| N24 | C21 | sing | 1.39Å | 1.36Å | |
| C21 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | N20 | sing | 1.32Å | 1.34Å | Aromatic |
| N22 | C23 | sing | 1.32Å | 1.33Å | Aromatic |
| N20 | C19 | doub | 1.32Å | 1.33Å | Aromatic |
| C23 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | O17 | sing | 1.36Å | 1.39Å | |
| CL13 | C11 | sing | 1.74Å | 1.74Å | |
| O17 | C2 | sing | 1.36Å | 1.36Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | CL14 | sing | 1.74Å | 1.74Å | |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C15 | sing | 1.51Å | 1.49Å | |
| C34 | C33 | sing | 1.54Å | 1.52Å | |
| C34 | N16 | sing | 1.49Å | 1.49Å | |
| C15 | N16 | sing | 1.47Å | 1.50Å | |
| C33 | C32 | sing | 1.54Å | 1.52Å | |
| N16 | C31 | sing | 1.49Å | 1.49Å | |
| C32 | C31 | sing | 1.54Å | 1.55Å | |
| C32 | O35 | sing | 1.43Å | 1.42Å | |
| O35 | C36 | sing | 1.43Å | 1.43Å | |
| C36 | C37 | sing | 1.51Å | 1.49Å | |
| C37 | O38 | doub | 1.21Å | 1.27Å | |
| C37 | O39 | sing | 1.34Å | 1.27Å | |
| C5 | H41 | sing | 1.08Å | 1.08Å | |
| C8 | H42 | sing | 1.08Å | 1.08Å | |
| C10 | H43 | sing | 1.08Å | 1.08Å | |
| C15 | H45 | sing | 1.09Å | 1.10Å | |
| C15 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H53 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H55 | sing | 1.09Å | 1.10Å | |
| C28 | H56 | sing | 1.09Å | 1.10Å | |
| C12 | H44 | sing | 1.08Å | 1.08Å | |
| C19 | H48 | sing | 1.08Å | 1.08Å | |
| C23 | H49 | sing | 1.08Å | 1.08Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H58 | sing | 1.09Å | 1.10Å | |
| C29 | H57 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.08Å | 1.08Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.09Å | 1.10Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C34 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H70 | sing | 1.09Å | 1.10Å | |
| N16 | H47 | sing | 1.01Å | 1.00Å | |
| N27 | H54 | sing | 1.01Å | 1.00Å | |
| O39 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | N27 | C26 | 111.8° | 109.4° |
| C30 | N27 | C28 | 111.6° | 109.5° |
| N27 | C30 | H61 | 109.5° | 109.5° |
| N27 | C30 | H59 | 109.5° | 109.4° |
| N27 | C30 | H60 | 109.5° | 109.4° |
| C30 | N27 | H54 | 107.9° | 109.5° |
| C26 | N27 | C28 | 109.7° | 109.5° |
| N27 | C26 | C25 | 110.3° | 109.5° |
| N27 | C26 | H53 | 109.2° | 109.5° |
| N27 | C26 | H52 | 109.3° | 109.5° |
| C26 | N27 | H54 | 107.9° | 109.4° |
| N27 | C28 | C29 | 110.0° | 109.5° |
| N27 | C28 | H55 | 109.3° | 109.5° |
| N27 | C28 | H56 | 109.4° | 109.4° |
| C28 | N27 | H54 | 107.9° | 109.5° |
| C26 | C25 | N24 | 110.6° | 109.3° |
| C25 | C26 | H53 | 109.3° | 109.4° |
| C25 | C26 | H52 | 109.3° | 109.5° |
| C26 | C25 | H51 | 109.2° | 109.5° |
| C26 | C25 | H50 | 109.2° | 109.5° |
| C28 | C29 | N24 | 110.7° | 109.3° |
| C29 | C28 | H55 | 109.3° | 109.5° |
| C29 | C28 | H56 | 109.3° | 109.5° |
| C28 | C29 | H58 | 109.2° | 109.5° |
| C28 | C29 | H57 | 109.2° | 109.5° |
| C25 | N24 | C29 | 113.9° | 110.7° |
| C25 | N24 | C21 | 123.4° | 111.0° |
| N24 | C25 | H51 | 109.2° | 109.4° |
| N24 | C25 | H50 | 109.2° | 109.5° |
| C29 | N24 | C21 | 122.7° | 111.0° |
| N24 | C29 | H58 | 109.1° | 109.5° |
| N24 | C29 | H57 | 109.2° | 109.5° |
| N24 | C21 | N22 | 117.0° | 119.1° |
| N24 | C21 | N20 | 116.7° | 119.2° |
| N22 | C21 | N20 | 126.3° | 121.7° |
| C21 | N22 | C23 | 115.9° | 120.8° |
| C21 | N20 | C19 | 115.9° | 120.8° |
| N22 | C23 | C18 | 122.6° | 119.2° |
| N22 | C23 | H49 | 118.7° | 120.4° |
| N20 | C19 | C18 | 122.6° | 119.1° |
| N20 | C19 | H48 | 118.7° | 120.5° |
| C23 | C18 | C19 | 116.7° | 118.4° |
| C23 | C18 | O17 | 120.3° | 120.8° |
| C18 | C23 | H49 | 118.7° | 120.4° |
| C19 | C18 | O17 | 123.0° | 120.8° |
| C18 | C19 | H48 | 118.7° | 120.4° |
| C18 | O17 | C2 | 121.7° | 118.0° |
| CL13 | C11 | C12 | 118.9° | 119.9° |
| CL13 | C11 | C10 | 118.8° | 120.0° |
| O17 | C2 | N1 | 121.7° | 119.6° |
| O17 | C2 | C3 | 113.9° | 119.6° |
| C12 | C11 | C10 | 122.2° | 120.1° |
| C11 | C12 | C7 | 119.6° | 119.9° |
| C11 | C12 | H44 | 120.2° | 120.1° |
| C11 | C10 | C9 | 117.4° | 120.2° |
| C11 | C10 | H43 | 121.3° | 119.9° |
| C12 | C7 | C6 | 120.8° | 120.1° |
| C12 | C7 | C8 | 118.8° | 119.8° |
| C7 | C12 | H44 | 120.2° | 120.1° |
| C2 | N1 | C6 | 117.4° | 121.6° |
| N1 | C2 | C3 | 124.3° | 120.7° |
| N1 | C6 | C7 | 116.4° | 119.7° |
| N1 | C6 | C5 | 121.9° | 120.6° |
| C2 | C3 | C4 | 118.0° | 119.3° |
| C2 | C3 | H40 | 121.0° | 120.3° |
| C10 | C9 | C8 | 122.2° | 120.1° |
| C10 | C9 | CL14 | 119.0° | 120.0° |
| C9 | C10 | H43 | 121.3° | 119.9° |
| C6 | C7 | C8 | 120.1° | 120.1° |
| C7 | C6 | C5 | 121.5° | 119.7° |
| C7 | C8 | C9 | 119.7° | 119.9° |
| C7 | C8 | H42 | 120.1° | 120.1° |
| C6 | C5 | C4 | 119.4° | 119.2° |
| C6 | C5 | H41 | 120.3° | 120.4° |
| C3 | C4 | C5 | 118.7° | 118.6° |
| C3 | C4 | C15 | 120.5° | 120.7° |
| C4 | C3 | H40 | 121.0° | 120.3° |
| C8 | C9 | CL14 | 118.8° | 119.9° |
| C9 | C8 | H42 | 120.1° | 120.0° |
| C5 | C4 | C15 | 120.5° | 120.7° |
| C4 | C5 | H41 | 120.3° | 120.4° |
| C4 | C15 | N16 | 111.2° | 109.4° |
| C4 | C15 | H45 | 109.1° | 109.5° |
| C4 | C15 | H46 | 109.0° | 109.5° |
| C33 | C34 | N16 | 104.6° | 104.6° |
| C34 | C33 | C32 | 105.3° | 105.1° |
| C34 | C33 | H66 | 110.5° | 110.3° |
| C34 | C33 | H65 | 110.5° | 110.4° |
| C33 | C34 | H68 | 110.7° | 110.4° |
| C33 | C34 | H67 | 110.7° | 110.4° |
| C34 | N16 | C15 | 114.3° | 110.5° |
| C34 | N16 | C31 | 103.2° | 104.1° |
| N16 | C34 | H68 | 110.7° | 110.4° |
| N16 | C34 | H67 | 110.7° | 110.4° |
| C34 | N16 | H47 | 107.8° | 110.5° |
| C15 | N16 | C31 | 115.7° | 110.5° |
| N16 | C15 | H45 | 109.0° | 109.5° |
| N16 | C15 | H46 | 109.0° | 109.5° |
| C15 | N16 | H47 | 107.7° | 110.5° |
| C33 | C32 | C31 | 105.5° | 105.1° |
| C33 | C32 | O35 | 108.1° | 110.3° |
| C33 | C32 | H64 | 111.0° | 110.4° |
| C32 | C33 | H66 | 110.5° | 110.3° |
| C32 | C33 | H65 | 110.5° | 110.4° |
| N16 | C31 | C32 | 102.0° | 104.7° |
| N16 | C31 | H62 | 111.3° | 110.4° |
| N16 | C31 | H63 | 111.3° | 110.4° |
| C31 | N16 | H47 | 107.8° | 110.6° |
| C31 | C32 | O35 | 109.1° | 110.3° |
| C32 | C31 | H62 | 111.3° | 110.4° |
| C32 | C31 | H63 | 111.3° | 110.4° |
| C31 | C32 | H64 | 110.5° | 110.3° |
| C32 | O35 | C36 | 114.2° | 114.0° |
| O35 | C32 | H64 | 112.4° | 110.3° |
| O35 | C36 | C37 | 113.0° | 109.5° |
| O35 | C36 | H69 | 108.6° | 109.4° |
| O35 | C36 | H70 | 108.6° | 109.4° |
| C36 | C37 | O38 | 115.0° | 120.0° |
| C36 | C37 | O39 | 118.5° | 120.0° |
| C37 | C36 | H69 | 108.6° | 109.5° |
| C37 | C36 | H70 | 108.6° | 109.5° |
| O38 | C37 | O39 | 126.6° | 120.0° |
| C37 | O39 | H1 | 109.5° | 117.0° |
| H45 | C15 | H46 | 109.5° | 109.5° |
| H53 | C26 | H52 | 109.5° | 109.5° |
| H55 | C28 | H56 | 109.5° | 109.4° |
| H51 | C25 | H50 | 109.4° | 109.6° |
| H58 | C29 | H57 | 109.5° | 109.5° |
| H61 | C30 | H59 | 109.4° | 109.5° |
| H61 | C30 | H60 | 109.5° | 109.5° |
| H59 | C30 | H60 | 109.4° | 109.5° |
| H62 | C31 | H63 | 109.5° | 110.4° |
| H66 | C33 | H65 | 109.5° | 110.3° |
| H68 | C34 | H67 | 109.5° | 110.5° |
| H69 | C36 | H70 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | N27 | C26 | C28 | 124.3° | 120.0° |
| C30 | N27 | C26 | H54 | 118.5° | 120.0° |
| C30 | N27 | C28 | H54 | 118.4° | 120.1° |
| C30 | N27 | C26 | C25 | 176.8° | 179.2° |
| C30 | N27 | C28 | C29 | 175.9° | 179.3° |
| C30 | N27 | C26 | H53 | 63.0° | 59.3° |
| C30 | N27 | C26 | H52 | 56.7° | 60.7° |
| C30 | N27 | C28 | H55 | 55.8° | 60.7° |
| C30 | N27 | C28 | H56 | 64.1° | 59.3° |
| N27 | C30 | H61 | H59 | 120.0° | 120.0° |
| N27 | C30 | H61 | H60 | 120.0° | 120.0° |
| N27 | C30 | H59 | H60 | 120.0° | 119.9° |
| C26 | N27 | C28 | H54 | 117.2° | 120.0° |
| N27 | C26 | C25 | H53 | 120.1° | 120.0° |
| N27 | C26 | C25 | H52 | 120.1° | 120.0° |
| C26 | N27 | C28 | C29 | 59.7° | 60.8° |
| N27 | C26 | C25 | N24 | 54.9° | 59.2° |
| N27 | C26 | H53 | H52 | 119.6° | 120.0° |
| C26 | N27 | C28 | H55 | 179.8° | 59.3° |
| C26 | N27 | C28 | H56 | 60.3° | 179.2° |
| N27 | C26 | C25 | H51 | 175.1° | 179.1° |
| N27 | C26 | C25 | H50 | 65.3° | 60.7° |
| C26 | N27 | C30 | H61 | 180.0° | 60.0° |
| C26 | N27 | C30 | H59 | 60.0° | 180.0° |
| C26 | N27 | C30 | H60 | 60.0° | 60.0° |
| C28 | N27 | C26 | C25 | 58.9° | 60.8° |
| N27 | C28 | C29 | H55 | 120.1° | 120.1° |
| N27 | C28 | C29 | H56 | 120.1° | 120.0° |
| N27 | C28 | C29 | N24 | 56.7° | 59.3° |
| C28 | N27 | C26 | H53 | 61.2° | 179.3° |
| C28 | N27 | C26 | H52 | 179.1° | 59.2° |
| N27 | C28 | H55 | H56 | 119.8° | 119.9° |
| N27 | C28 | C29 | H58 | 63.5° | 60.7° |
| N27 | C28 | C29 | H57 | 176.9° | 179.2° |
| C28 | N27 | C30 | H61 | 56.8° | 60.0° |
| C28 | N27 | C30 | H59 | 176.8° | 60.0° |
| C28 | N27 | C30 | H60 | 63.2° | 179.9° |
| C26 | C25 | N24 | H51 | 120.2° | 120.0° |
| C26 | C25 | N24 | H50 | 120.2° | 120.0° |
| C26 | C25 | N24 | C29 | 53.2° | 58.6° |
| C26 | C25 | N24 | C21 | 126.6° | 177.6° |
| C25 | C26 | H53 | H52 | 119.6° | 120.0° |
| C26 | C25 | H51 | H50 | 119.5° | 120.1° |
| C25 | C26 | N27 | H54 | 58.3° | 59.3° |
| C28 | C29 | N24 | C25 | 54.3° | 58.6° |
| C28 | C29 | N24 | H58 | 120.2° | 120.0° |
| C28 | C29 | N24 | H57 | 120.2° | 119.9° |
| C28 | C29 | N24 | C21 | 125.6° | 177.6° |
| C29 | C28 | H55 | H56 | 119.7° | 120.0° |
| C28 | C29 | H58 | H57 | 119.4° | 120.0° |
| C29 | C28 | N27 | H54 | 57.5° | 59.2° |
| C25 | N24 | C29 | C21 | 179.9° | 123.7° |
| C25 | N24 | C21 | N22 | 1.4° | 179.9° |
| C25 | N24 | C21 | N20 | 178.6° | 0.3° |
| N24 | C25 | C26 | H53 | 65.2° | 179.2° |
| N24 | C25 | C26 | H52 | 175.1° | 60.8° |
| N24 | C25 | H51 | H50 | 119.5° | 120.0° |
| C25 | N24 | C29 | H58 | 65.9° | 61.4° |
| C25 | N24 | C29 | H57 | 174.5° | 178.6° |
| C29 | N24 | C21 | N22 | 178.8° | 56.3° |
| C29 | N24 | C21 | N20 | 1.2° | 123.3° |
| N24 | C29 | C28 | H55 | 176.8° | 60.8° |
| N24 | C29 | C28 | H56 | 63.4° | 179.3° |
| C29 | N24 | C25 | H51 | 173.4° | 178.6° |
| C29 | N24 | C25 | H50 | 67.0° | 61.3° |
| N24 | C29 | H58 | H57 | 119.4° | 120.0° |
| N24 | C21 | N22 | N20 | 180.0° | 179.7° |
| N24 | C21 | N22 | C23 | 178.6° | 179.7° |
| N24 | C21 | N20 | C19 | 178.9° | 179.7° |
| C21 | N24 | C25 | H51 | 6.5° | 57.7° |
| C21 | N24 | C25 | H50 | 113.2° | 62.4° |
| C21 | N24 | C29 | H58 | 114.2° | 62.3° |
| C21 | N24 | C29 | H57 | 5.4° | 57.7° |
| N22 | C21 | N20 | C19 | 1.1° | 0.1° |
| C21 | N22 | C23 | C18 | 1.8° | 0.0° |
| C21 | N22 | C23 | H49 | 178.2° | 180.0° |
| N20 | C21 | N22 | C23 | 1.4° | 0.0° |
| C21 | N20 | C19 | C18 | 1.1° | 0.0° |
| C21 | N20 | C19 | H48 | 178.8° | 180.0° |
| N22 | C23 | C18 | H49 | 180.0° | 179.9° |
| N22 | C23 | C18 | C19 | 1.9° | 0.1° |
| N22 | C23 | C18 | O17 | 179.2° | 180.0° |
| N20 | C19 | C18 | C23 | 1.6° | 0.0° |
| N20 | C19 | C18 | H48 | 180.0° | 180.0° |
| N20 | C19 | C18 | O17 | 178.8° | 180.0° |
| C23 | C18 | C19 | O17 | 177.2° | 180.0° |
| C23 | C18 | O17 | C2 | 126.7° | 6.0° |
| C23 | C18 | C19 | H48 | 178.4° | 179.9° |
| C19 | C18 | O17 | C2 | 56.2° | 174.0° |
| C19 | C18 | C23 | H49 | 178.1° | 180.0° |
| C18 | O17 | C2 | N1 | 11.9° | 44.5° |
| C18 | O17 | C2 | C3 | 167.6° | 135.5° |
| O17 | C18 | C19 | H48 | 1.2° | 0.0° |
| O17 | C18 | C23 | H49 | 0.8° | 0.0° |
| CL13 | C11 | C12 | C10 | 178.5° | 179.9° |
| CL13 | C11 | C12 | C7 | 178.8° | 180.0° |
| CL13 | C11 | C10 | C9 | 179.6° | 179.7° |
| CL13 | C11 | C10 | H43 | 0.3° | 0.1° |
| CL13 | C11 | C12 | H44 | 1.2° | 0.1° |
| O17 | C2 | N1 | C3 | 179.4° | 180.0° |
| O17 | C2 | N1 | C6 | 178.6° | 180.0° |
| O17 | C2 | C3 | C4 | 178.5° | 180.0° |
| O17 | C2 | C3 | H40 | 1.4° | 0.1° |
| C11 | C12 | C7 | H44 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 1.1° | 0.3° |
| C11 | C12 | C7 | C6 | 175.6° | 179.9° |
| C11 | C12 | C7 | C8 | 1.8° | 0.2° |
| C12 | C11 | C10 | H43 | 178.9° | 180.0° |
| C10 | C11 | C12 | C7 | 0.3° | 0.1° |
| C11 | C10 | C9 | H43 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.1° | 0.3° |
| C11 | C10 | C9 | CL14 | 179.9° | 180.0° |
| C10 | C11 | C12 | H44 | 179.7° | 180.0° |
| C12 | C7 | C6 | N1 | 28.8° | 168.7° |
| C12 | C7 | C6 | C8 | 173.7° | 179.7° |
| C12 | C7 | C6 | C5 | 155.5° | 11.3° |
| C12 | C7 | C8 | C9 | 3.0° | 0.3° |
| C12 | C7 | C8 | H42 | 177.0° | 179.8° |
| C2 | N1 | C6 | C7 | 177.7° | 180.0° |
| C2 | N1 | C6 | C5 | 2.1° | 0.0° |
| N1 | C2 | C3 | C4 | 0.9° | 0.0° |
| N1 | C2 | C3 | H40 | 179.1° | 179.9° |
| C6 | N1 | C2 | C3 | 0.8° | 0.0° |
| N1 | C6 | C7 | C5 | 175.6° | 180.0° |
| N1 | C6 | C7 | C8 | 144.9° | 11.0° |
| N1 | C6 | C5 | C4 | 3.6° | 0.0° |
| N1 | C6 | C5 | H41 | 176.4° | 180.0° |
| C2 | C3 | C4 | H40 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.2° | 0.0° |
| C2 | C3 | C4 | C15 | 176.3° | 180.0° |
| C10 | C9 | C8 | C7 | 2.2° | 0.0° |
| C10 | C9 | C8 | CL14 | 179.8° | 179.7° |
| C10 | C9 | C8 | H42 | 177.8° | 179.9° |
| C6 | C7 | C8 | C9 | 176.8° | 180.0° |
| C7 | C6 | C5 | C4 | 179.0° | 180.0° |
| C7 | C6 | C5 | H41 | 1.0° | 0.0° |
| C6 | C7 | C8 | H42 | 3.2° | 0.1° |
| C6 | C7 | C12 | H44 | 4.4° | 0.0° |
| C8 | C7 | C6 | C5 | 30.7° | 169.0° |
| C7 | C8 | C9 | H42 | 180.0° | 179.9° |
| C7 | C8 | C9 | CL14 | 178.0° | 179.7° |
| C8 | C7 | C12 | H44 | 178.2° | 179.7° |
| C6 | C5 | C4 | C3 | 3.5° | 0.0° |
| C6 | C5 | C4 | H41 | 180.0° | 180.0° |
| C6 | C5 | C4 | C15 | 177.6° | 180.0° |
| C3 | C4 | C5 | C15 | 174.1° | 180.0° |
| C3 | C4 | C15 | N16 | 95.4° | 90.0° |
| C3 | C4 | C5 | H41 | 176.5° | 180.0° |
| C3 | C4 | C15 | H45 | 144.3° | 30.0° |
| C3 | C4 | C15 | H46 | 24.9° | 150.0° |
| C8 | C9 | C10 | H43 | 179.9° | 180.0° |
| CL14 | C9 | C8 | H42 | 2.0° | 0.2° |
| CL14 | C9 | C10 | H43 | 0.1° | 0.3° |
| C5 | C4 | C15 | N16 | 78.6° | 90.0° |
| C5 | C4 | C15 | H45 | 41.7° | 150.0° |
| C5 | C4 | C15 | H46 | 161.1° | 30.0° |
| C5 | C4 | C3 | H40 | 177.8° | 180.0° |
| C4 | C15 | N16 | C34 | 68.1° | 66.4° |
| C4 | C15 | N16 | H45 | 120.3° | 120.0° |
| C4 | C15 | N16 | H46 | 120.3° | 120.0° |
| C4 | C15 | N16 | C31 | 172.2° | 178.9° |
| C15 | C4 | C5 | H41 | 2.4° | 0.0° |
| C4 | C15 | H45 | H46 | 119.2° | 120.0° |
| C15 | C4 | C3 | H40 | 3.7° | 0.1° |
| C4 | C15 | N16 | H47 | 51.6° | 56.1° |
| C33 | C34 | N16 | H68 | 119.2° | 118.8° |
| C33 | C34 | N16 | H67 | 119.2° | 118.8° |
| C33 | C34 | N16 | C15 | 167.9° | 158.1° |
| C34 | C33 | C32 | H66 | 119.3° | 118.9° |
| C34 | C33 | C32 | H65 | 119.3° | 119.0° |
| C33 | C34 | N16 | C31 | 41.4° | 39.5° |
| C34 | C33 | C32 | C31 | 4.2° | 0.0° |
| C34 | C33 | C32 | O35 | 120.9° | 118.9° |
| C34 | C33 | C32 | H64 | 115.5° | 119.0° |
| C34 | C33 | H66 | H65 | 121.9° | 122.2° |
| C33 | C34 | H68 | H67 | 122.3° | 122.5° |
| C33 | C34 | N16 | H47 | 72.5° | 79.3° |
| C34 | N16 | C15 | C31 | 119.6° | 114.7° |
| C34 | N16 | C15 | H47 | 119.7° | 122.6° |
| N16 | C34 | C33 | C32 | 22.3° | 23.9° |
| C34 | N16 | C31 | H47 | 113.9° | 118.7° |
| C34 | N16 | C31 | C32 | 43.1° | 39.5° |
| C34 | N16 | C15 | H45 | 171.6° | 173.6° |
| C34 | N16 | C15 | H46 | 52.1° | 53.5° |
| C34 | N16 | C31 | H62 | 161.9° | 79.3° |
| C34 | N16 | C31 | H63 | 75.7° | 158.3° |
| N16 | C34 | C33 | H66 | 141.7° | 95.0° |
| N16 | C34 | C33 | H65 | 97.0° | 142.9° |
| N16 | C34 | H68 | H67 | 122.3° | 122.4° |
| C15 | N16 | C31 | H47 | 120.6° | 122.7° |
| C15 | N16 | C31 | C32 | 168.7° | 158.1° |
| N16 | C15 | H45 | H46 | 119.2° | 120.0° |
| C15 | N16 | C31 | H62 | 72.5° | 39.3° |
| C15 | N16 | C31 | H63 | 49.9° | 83.1° |
| C15 | N16 | C34 | H68 | 72.9° | 83.1° |
| C15 | N16 | C34 | H67 | 48.6° | 39.3° |
| C33 | C32 | C31 | N16 | 29.1° | 23.9° |
| C33 | C32 | C31 | O35 | 116.0° | 118.9° |
| C33 | C32 | C31 | H64 | 120.0° | 119.0° |
| C33 | C32 | O35 | H64 | 122.8° | 122.2° |
| C33 | C32 | O35 | C36 | 71.5° | 94.3° |
| C33 | C32 | C31 | H62 | 147.8° | 94.9° |
| C33 | C32 | C31 | H63 | 89.7° | 142.7° |
| C32 | C33 | H66 | H65 | 122.0° | 122.2° |
| C32 | C33 | C34 | H68 | 141.5° | 142.6° |
| C32 | C33 | C34 | H67 | 96.9° | 94.9° |
| N16 | C31 | C32 | H62 | 118.8° | 118.8° |
| N16 | C31 | C32 | H63 | 118.8° | 118.8° |
| N16 | C31 | C32 | O35 | 145.1° | 142.8° |
| C31 | N16 | C15 | H45 | 51.9° | 58.9° |
| C31 | N16 | C15 | H46 | 67.5° | 61.1° |
| N16 | C31 | H62 | H63 | 123.5° | 122.4° |
| N16 | C31 | C32 | H64 | 90.9° | 95.1° |
| C31 | N16 | C34 | H68 | 160.6° | 158.2° |
| C31 | N16 | C34 | H67 | 77.8° | 79.3° |
| C31 | C32 | O35 | H64 | 122.9° | 122.1° |
| C31 | C32 | O35 | C36 | 174.2° | 150.0° |
| C32 | C31 | H62 | H63 | 123.5° | 122.3° |
| C31 | C32 | C33 | H66 | 115.1° | 118.9° |
| C31 | C32 | C33 | H65 | 123.6° | 119.0° |
| C32 | C31 | N16 | H47 | 70.8° | 79.2° |
| C32 | O35 | C36 | C37 | 139.8° | 180.0° |
| O35 | C32 | C31 | H62 | 96.2° | 24.0° |
| O35 | C32 | C31 | H63 | 26.3° | 98.3° |
| O35 | C32 | C33 | H66 | 1.5° | 122.2° |
| O35 | C32 | C33 | H65 | 119.8° | 0.1° |
| C32 | O35 | C36 | H69 | 99.7° | 60.0° |
| C32 | O35 | C36 | H70 | 19.2° | 59.9° |
| O35 | C36 | C37 | H69 | 120.5° | 120.0° |
| O35 | C36 | C37 | H70 | 120.5° | 120.0° |
| O35 | C36 | C37 | O38 | 151.1° | 0.0° |
| O35 | C36 | C37 | O39 | 29.3° | 180.0° |
| C36 | O35 | C32 | H64 | 51.3° | 27.9° |
| O35 | C36 | H69 | H70 | 118.4° | 119.9° |
| C36 | C37 | O38 | O39 | 179.6° | 180.0° |
| C37 | C36 | H69 | H70 | 118.4° | 120.1° |
| C36 | C37 | O39 | H1 | 179.6° | 180.0° |
| O38 | C37 | C36 | H69 | 88.4° | 120.0° |
| O38 | C37 | C36 | H70 | 30.5° | 120.0° |
| O38 | C37 | O39 | H1 | 0.0° | 0.0° |
| O39 | C37 | C36 | H69 | 91.2° | 60.0° |
| O39 | C37 | C36 | H70 | 149.9° | 60.0° |
| H45 | C15 | N16 | H47 | 68.7° | 63.8° |
| H46 | C15 | N16 | H47 | 171.8° | 176.1° |
| H53 | C26 | C25 | H51 | 55.0° | 60.9° |
| H53 | C26 | C25 | H50 | 174.6° | 59.3° |
| H53 | C26 | N27 | H54 | 178.5° | 60.7° |
| H52 | C26 | C25 | H51 | 64.8° | 59.1° |
| H52 | C26 | C25 | H50 | 54.9° | 179.3° |
| H52 | C26 | N27 | H54 | 61.8° | 179.3° |
| H55 | C28 | C29 | H58 | 56.6° | 179.2° |
| H55 | C28 | C29 | H57 | 63.0° | 59.1° |
| H55 | C28 | N27 | H54 | 62.6° | 179.3° |
| H56 | C28 | C29 | H58 | 176.4° | 59.2° |
| H56 | C28 | C29 | H57 | 56.8° | 60.8° |
| H56 | C28 | N27 | H54 | 177.6° | 60.8° |
| H61 | C30 | H59 | H60 | 120.0° | 120.1° |
| H61 | C30 | N27 | H54 | 61.5° | 179.9° |
| H59 | C30 | N27 | H54 | 58.5° | 60.1° |
| H60 | C30 | N27 | H54 | 178.4° | 59.9° |
| H62 | C31 | C32 | H64 | 27.8° | 146.1° |
| H62 | C31 | N16 | H47 | 48.0° | 162.0° |
| H63 | C31 | C32 | H64 | 150.3° | 23.7° |
| H63 | C31 | N16 | H47 | 170.4° | 39.6° |
| H64 | C32 | C33 | H66 | 125.2° | 0.1° |
| H64 | C32 | C33 | H65 | 3.9° | 122.0° |
| H66 | C33 | C34 | H68 | 99.1° | 23.7° |
| H66 | C33 | C34 | H67 | 22.5° | 146.2° |
| H65 | C33 | C34 | H68 | 22.2° | 98.4° |
| H65 | C33 | C34 | H67 | 143.8° | 24.1° |
| H68 | C34 | N16 | H47 | 46.7° | 39.5° |
| H67 | C34 | N16 | H47 | 168.3° | 161.9° |
