N2D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | CL2 | sing | 1.74Å | 1.79Å | |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.49Å | Aromatic |
| C3 | N15 | sing | 1.39Å | 1.34Å | |
| CL3 | C62 | sing | 1.74Å | 1.79Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N13 | sing | 1.39Å | 1.33Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.33Å | |
| N13 | C22 | sing | 1.46Å | 1.48Å | |
| C14 | N15 | sing | 1.35Å | 1.33Å | |
| C14 | O24 | doub | 1.22Å | 1.29Å | |
| N15 | C26 | sing | 1.46Å | 1.49Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | C32 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | N30 | sing | 1.47Å | 1.47Å | |
| N30 | C31 | sing | 1.47Å | 1.47Å | |
| N30 | C39 | sing | 1.47Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | N45 | sing | 1.46Å | 1.46Å | |
| N45 | N47 | sing | 1.28Å | 1.40Å | |
| N45 | C51 | sing | 1.35Å | 1.41Å | |
| N47 | C48 | doub | 1.31Å | 1.35Å | |
| C48 | C49 | sing | 1.41Å | 1.40Å | |
| C48 | C58 | sing | 1.48Å | 1.49Å | |
| C49 | C50 | doub | 1.36Å | 1.39Å | |
| C50 | C51 | sing | 1.41Å | 1.39Å | |
| C51 | O71 | doub | 1.22Å | 1.25Å | |
| C58 | C60 | doub | 1.39Å | 1.40Å | Aromatic |
| C58 | C64 | sing | 1.39Å | 1.39Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.39Å | Aromatic |
| C61 | C62 | doub | 1.38Å | 1.39Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.48Å | Aromatic |
| C63 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C63 | C75 | sing | 1.51Å | 1.51Å | |
| C75 | N77 | sing | 1.47Å | 1.45Å | |
| N77 | C79 | sing | 1.35Å | 1.33Å | |
| C79 | C81 | sing | 1.48Å | 1.50Å | |
| C79 | O94 | doub | 1.22Å | 1.22Å | |
| C81 | C83 | doub | 1.40Å | 1.39Å | Aromatic |
| C81 | C87 | sing | 1.40Å | 1.39Å | Aromatic |
| C83 | C84 | sing | 1.38Å | 1.39Å | Aromatic |
| C84 | C85 | doub | 1.38Å | 1.39Å | Aromatic |
| C85 | C86 | sing | 1.38Å | 1.39Å | Aromatic |
| C86 | C87 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H75A | sing | 1.09Å | 1.10Å | |
| N77 | HN77 | sing | 0.97Å | 1.00Å | |
| C83 | H83 | sing | 1.08Å | 1.08Å | |
| C84 | H84 | sing | 1.08Å | 1.08Å | |
| C85 | H85 | sing | 1.08Å | 1.08Å | |
| C86 | H86 | sing | 1.08Å | 1.08Å | |
| C87 | H87 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | CL2 | 119.2° | 119.8° |
| C2 | C1 | C6 | 122.0° | 120.2° |
| C1 | C2 | C3 | 119.6° | 119.8° |
| C1 | C2 | H2 | 120.2° | 120.1° |
| CL2 | C1 | C6 | 118.9° | 119.9° |
| C1 | C6 | C5 | 120.6° | 120.3° |
| C1 | C6 | H6 | 119.7° | 119.8° |
| C2 | C3 | C4 | 118.4° | 119.9° |
| C2 | C3 | N15 | 135.0° | 133.3° |
| C3 | C2 | H2 | 120.2° | 120.1° |
| C4 | C3 | N15 | 106.6° | 106.8° |
| C3 | C4 | C5 | 119.8° | 119.9° |
| C3 | C4 | N13 | 107.0° | 106.8° |
| C3 | N15 | C14 | 105.0° | 108.3° |
| C3 | N15 | C26 | 129.7° | 125.8° |
| CL3 | C62 | C61 | 120.8° | 119.9° |
| CL3 | C62 | C63 | 119.8° | 119.9° |
| C5 | C4 | N13 | 133.2° | 133.3° |
| C4 | C5 | C6 | 119.7° | 119.8° |
| C4 | C5 | H5 | 120.2° | 120.1° |
| C4 | N13 | C14 | 105.1° | 108.3° |
| C4 | N13 | C22 | 126.8° | 125.8° |
| C6 | C5 | H5 | 120.2° | 120.1° |
| C5 | C6 | H6 | 119.7° | 119.8° |
| C14 | N13 | C22 | 128.1° | 125.8° |
| N13 | C14 | N15 | 116.4° | 109.7° |
| N13 | C14 | O24 | 122.3° | 125.2° |
| N13 | C22 | H22 | 109.5° | 109.5° |
| N13 | C22 | H22A | 109.4° | 109.5° |
| N13 | C22 | H22B | 109.5° | 109.5° |
| N15 | C14 | O24 | 121.3° | 125.1° |
| C14 | N15 | C26 | 125.3° | 125.8° |
| N15 | C26 | C28 | 111.7° | 109.5° |
| N15 | C26 | C32 | 111.9° | 109.6° |
| N15 | C26 | H26 | 105.4° | 109.5° |
| C28 | C26 | C32 | 106.9° | 109.2° |
| C26 | C28 | C29 | 109.2° | 109.2° |
| C28 | C26 | H26 | 110.6° | 109.5° |
| C26 | C28 | H28 | 109.5° | 109.5° |
| C26 | C28 | H28A | 109.6° | 109.5° |
| C26 | C32 | C31 | 110.9° | 109.3° |
| C32 | C26 | H26 | 110.4° | 109.5° |
| C26 | C32 | H32 | 109.0° | 109.5° |
| C26 | C32 | H32A | 109.0° | 109.5° |
| C28 | C29 | N30 | 111.7° | 109.5° |
| C29 | C28 | H28 | 109.6° | 109.5° |
| C29 | C28 | H28A | 109.6° | 109.5° |
| C28 | C29 | H29 | 108.8° | 109.5° |
| C28 | C29 | H29A | 108.7° | 109.4° |
| C29 | N30 | C31 | 127.0° | 111.2° |
| C29 | N30 | C39 | 116.6° | 111.0° |
| N30 | C29 | H29 | 108.7° | 109.5° |
| N30 | C29 | H29A | 108.7° | 109.5° |
| C31 | N30 | C39 | 116.3° | 111.0° |
| N30 | C31 | C32 | 112.5° | 109.5° |
| N30 | C31 | H31 | 108.5° | 109.4° |
| N30 | C31 | H31A | 108.5° | 109.4° |
| N30 | C39 | C41 | 107.1° | 109.5° |
| N30 | C39 | H39 | 110.3° | 109.4° |
| N30 | C39 | H39A | 110.3° | 109.5° |
| C32 | C31 | H31 | 108.5° | 109.5° |
| C32 | C31 | H31A | 108.5° | 109.5° |
| C31 | C32 | H32 | 109.0° | 109.5° |
| C31 | C32 | H32A | 109.0° | 109.5° |
| C39 | C41 | C43 | 110.9° | 109.5° |
| C41 | C39 | H39 | 110.3° | 109.4° |
| C41 | C39 | H39A | 110.3° | 109.5° |
| C39 | C41 | H41 | 109.0° | 109.5° |
| C39 | C41 | H41A | 109.0° | 109.5° |
| C41 | C43 | N45 | 109.2° | 109.5° |
| C43 | C41 | H41 | 109.0° | 109.4° |
| C43 | C41 | H41A | 109.0° | 109.4° |
| C41 | C43 | H43 | 109.6° | 109.5° |
| C41 | C43 | H43A | 109.6° | 109.5° |
| C43 | N45 | N47 | 118.9° | 119.1° |
| C43 | N45 | C51 | 121.3° | 119.1° |
| N45 | C43 | H43 | 109.6° | 109.5° |
| N45 | C43 | H43A | 109.6° | 109.5° |
| N47 | N45 | C51 | 119.8° | 121.8° |
| N45 | N47 | C48 | 120.4° | 122.3° |
| N45 | C51 | C50 | 119.2° | 119.5° |
| N45 | C51 | O71 | 121.4° | 120.3° |
| N47 | C48 | C49 | 120.4° | 120.2° |
| N47 | C48 | C58 | 119.9° | 119.9° |
| C49 | C48 | C58 | 119.7° | 119.9° |
| C48 | C49 | C50 | 120.5° | 118.2° |
| C48 | C49 | H49 | 119.8° | 120.9° |
| C48 | C58 | C60 | 120.0° | 120.1° |
| C48 | C58 | C64 | 118.9° | 120.1° |
| C49 | C50 | C51 | 119.7° | 117.9° |
| C50 | C49 | H49 | 119.7° | 120.9° |
| C49 | C50 | H50 | 120.1° | 121.1° |
| C50 | C51 | O71 | 119.4° | 120.2° |
| C51 | C50 | H50 | 120.1° | 121.0° |
| C60 | C58 | C64 | 121.0° | 119.8° |
| C58 | C60 | C61 | 120.8° | 119.9° |
| C58 | C60 | H60 | 119.6° | 120.1° |
| C58 | C64 | C63 | 120.3° | 119.9° |
| C58 | C64 | H64 | 119.8° | 120.0° |
| C60 | C61 | C62 | 119.8° | 120.1° |
| C61 | C60 | H60 | 119.6° | 120.0° |
| C60 | C61 | H61 | 120.1° | 119.9° |
| C61 | C62 | C63 | 119.4° | 120.2° |
| C62 | C61 | H61 | 120.1° | 120.0° |
| C62 | C63 | C64 | 118.7° | 120.1° |
| C62 | C63 | C75 | 122.0° | 119.9° |
| C64 | C63 | C75 | 119.4° | 120.0° |
| C63 | C64 | H64 | 119.8° | 120.1° |
| C63 | C75 | N77 | 108.9° | 109.5° |
| C63 | C75 | H75 | 109.7° | 109.5° |
| C63 | C75 | H75A | 109.7° | 109.5° |
| C75 | N77 | C79 | 123.3° | 120.0° |
| N77 | C75 | H75 | 109.7° | 109.5° |
| N77 | C75 | H75A | 109.7° | 109.4° |
| C75 | N77 | HN77 | 118.3° | 120.0° |
| N77 | C79 | C81 | 119.1° | 120.0° |
| N77 | C79 | O94 | 122.0° | 120.0° |
| C79 | N77 | HN77 | 118.3° | 120.0° |
| C81 | C79 | O94 | 118.9° | 120.0° |
| C79 | C81 | C83 | 119.8° | 120.2° |
| C79 | C81 | C87 | 120.5° | 120.1° |
| C83 | C81 | C87 | 119.7° | 119.7° |
| C81 | C83 | C84 | 120.3° | 119.9° |
| C81 | C83 | H83 | 119.9° | 120.0° |
| C81 | C87 | C86 | 120.0° | 119.9° |
| C81 | C87 | H87 | 120.0° | 120.1° |
| C83 | C84 | C85 | 120.0° | 120.1° |
| C84 | C83 | H83 | 119.9° | 120.1° |
| C83 | C84 | H84 | 120.0° | 119.9° |
| C84 | C85 | C86 | 119.8° | 120.3° |
| C85 | C84 | H84 | 120.0° | 119.9° |
| C84 | C85 | H85 | 120.1° | 119.8° |
| C85 | C86 | C87 | 120.2° | 120.1° |
| C86 | C85 | H85 | 120.1° | 119.9° |
| C85 | C86 | H86 | 119.9° | 120.0° |
| C87 | C86 | H86 | 119.8° | 119.9° |
| C86 | C87 | H87 | 120.0° | 120.1° |
| H22 | C22 | H22A | 109.5° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.4° | 109.6° |
| H29 | C29 | H29A | 110.2° | 109.4° |
| H31 | C31 | H31A | 110.5° | 109.5° |
| H32 | C32 | H32A | 109.9° | 109.5° |
| H39 | C39 | H39A | 108.6° | 109.5° |
| H41 | C41 | H41A | 109.9° | 109.5° |
| H43 | C43 | H43A | 109.3° | 109.4° |
| H75 | C75 | H75A | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | CL2 | C6 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | N15 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.4° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| CL2 | C1 | C2 | C3 | 179.9° | 180.0° |
| CL2 | C1 | C6 | C5 | 179.9° | 179.8° |
| CL2 | C1 | C2 | H2 | 0.1° | 0.0° |
| CL2 | C1 | C6 | H6 | 0.2° | 0.2° |
| C6 | C1 | C2 | C3 | 0.0° | 0.2° |
| C1 | C6 | C5 | C4 | 0.2° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.6° |
| C6 | C1 | C2 | H2 | 179.9° | 179.7° |
| C1 | C6 | C5 | H5 | 179.8° | 179.8° |
| C2 | C3 | C4 | N15 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | N13 | 179.9° | 180.0° |
| C2 | C3 | N15 | C14 | 179.7° | 180.0° |
| C2 | C3 | N15 | C26 | 0.2° | 0.0° |
| C3 | C4 | C5 | N13 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.2° |
| C3 | C4 | N13 | C14 | 0.1° | 0.0° |
| C3 | C4 | N13 | C22 | 180.0° | 180.0° |
| C4 | C3 | N15 | C14 | 0.1° | 0.0° |
| C4 | C3 | N15 | C26 | 179.6° | 179.9° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| N15 | C3 | C4 | C5 | 179.9° | 180.0° |
| N15 | C3 | C4 | N13 | 0.0° | 0.0° |
| C3 | N15 | C14 | N13 | 0.2° | 0.0° |
| C3 | N15 | C14 | C26 | 179.5° | 179.9° |
| C3 | N15 | C14 | O24 | 179.8° | 180.0° |
| C3 | N15 | C26 | C28 | 56.3° | 120.0° |
| C3 | N15 | C26 | C32 | 63.5° | 120.3° |
| N15 | C3 | C2 | H2 | 0.1° | 0.0° |
| C3 | N15 | C26 | H26 | 176.5° | 0.1° |
| CL3 | C62 | C61 | C60 | 179.9° | 180.0° |
| CL3 | C62 | C61 | C63 | 179.6° | 179.9° |
| CL3 | C62 | C63 | C64 | 180.0° | 179.7° |
| CL3 | C62 | C63 | C75 | 0.3° | 0.0° |
| CL3 | C62 | C61 | H61 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | N13 | C14 | 180.0° | 179.9° |
| C5 | C4 | N13 | C22 | 0.1° | 0.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| N13 | C4 | C5 | C6 | 179.9° | 179.8° |
| C4 | N13 | C14 | C22 | 179.9° | 180.0° |
| C4 | N13 | C14 | N15 | 0.2° | 0.0° |
| C4 | N13 | C14 | O24 | 179.8° | 180.0° |
| N13 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | N13 | C22 | H22 | 180.0° | 90.0° |
| C4 | N13 | C22 | H22A | 60.0° | 150.0° |
| C4 | N13 | C22 | H22B | 60.0° | 30.0° |
| N13 | C14 | N15 | O24 | 179.6° | 179.9° |
| N13 | C14 | N15 | C26 | 179.7° | 180.0° |
| C14 | N13 | C22 | H22 | 0.1° | 90.0° |
| C14 | N13 | C22 | H22A | 120.1° | 30.0° |
| C14 | N13 | C22 | H22B | 119.9° | 150.0° |
| C22 | N13 | C14 | N15 | 179.9° | 180.0° |
| C22 | N13 | C14 | O24 | 0.3° | 0.0° |
| N13 | C22 | H22 | H22A | 120.0° | 120.0° |
| N13 | C22 | H22 | H22B | 120.0° | 120.0° |
| N13 | C22 | H22A | H22B | 120.0° | 120.0° |
| C14 | N15 | C26 | C28 | 123.1° | 60.1° |
| C14 | N15 | C26 | C32 | 117.1° | 59.6° |
| C14 | N15 | C26 | H26 | 2.9° | 179.8° |
| O24 | C14 | N15 | C26 | 0.7° | 0.1° |
| N15 | C26 | C28 | C32 | 122.7° | 119.9° |
| N15 | C26 | C28 | H26 | 117.1° | 120.1° |
| N15 | C26 | C32 | H26 | 117.1° | 120.1° |
| N15 | C26 | C28 | C29 | 167.5° | 177.6° |
| N15 | C26 | C32 | C31 | 171.4° | 177.6° |
| N15 | C26 | C28 | H28 | 47.5° | 62.5° |
| N15 | C26 | C28 | H28A | 72.5° | 57.7° |
| N15 | C26 | C32 | H32 | 68.6° | 57.6° |
| N15 | C26 | C32 | H32A | 51.4° | 62.5° |
| C28 | C26 | C32 | H26 | 120.3° | 120.0° |
| C26 | C28 | C29 | H28 | 120.0° | 119.9° |
| C26 | C28 | C29 | H28A | 120.0° | 119.9° |
| C26 | C28 | C29 | N30 | 42.8° | 59.2° |
| C28 | C26 | C32 | C31 | 66.0° | 57.6° |
| C26 | C28 | H28 | H28A | 120.1° | 120.1° |
| C26 | C28 | C29 | H29 | 77.2° | 60.9° |
| C26 | C28 | C29 | H29A | 162.7° | 179.2° |
| C28 | C26 | C32 | H32 | 54.0° | 62.3° |
| C28 | C26 | C32 | H32A | 174.0° | 177.6° |
| C32 | C26 | C28 | C29 | 69.8° | 57.7° |
| C26 | C32 | C31 | N30 | 35.6° | 59.1° |
| C26 | C32 | C31 | H32 | 120.0° | 119.9° |
| C26 | C32 | C31 | H32A | 120.0° | 120.0° |
| C32 | C26 | C28 | H28 | 170.2° | 177.5° |
| C32 | C26 | C28 | H28A | 50.2° | 62.3° |
| C26 | C32 | C31 | H31 | 84.3° | 60.8° |
| C26 | C32 | C31 | H31A | 155.6° | 179.1° |
| C26 | C32 | H32 | H32A | 119.4° | 120.1° |
| C28 | C29 | N30 | H29 | 120.0° | 120.1° |
| C28 | C29 | N30 | H29A | 120.0° | 120.0° |
| C28 | C29 | N30 | C31 | 14.6° | 61.8° |
| C28 | C29 | N30 | C39 | 167.3° | 174.1° |
| C29 | C28 | C26 | H26 | 50.4° | 62.3° |
| C29 | C28 | H28 | H28A | 120.1° | 120.1° |
| C28 | C29 | H29 | H29A | 119.1° | 119.9° |
| C29 | N30 | C31 | C39 | 178.1° | 124.1° |
| C29 | N30 | C31 | C32 | 10.8° | 61.7° |
| C29 | N30 | C39 | C41 | 87.3° | 170.0° |
| N30 | C29 | C28 | H28 | 162.8° | 179.1° |
| N30 | C29 | C28 | H28A | 77.2° | 60.7° |
| N30 | C29 | H29 | H29A | 119.1° | 120.0° |
| C29 | N30 | C31 | H31 | 109.2° | 58.2° |
| C29 | N30 | C31 | H31A | 130.8° | 178.2° |
| C29 | N30 | C39 | H39 | 152.7° | 70.1° |
| C29 | N30 | C39 | H39A | 32.7° | 50.0° |
| N30 | C31 | C32 | H31 | 120.0° | 119.9° |
| N30 | C31 | C32 | H31A | 120.0° | 120.0° |
| C31 | N30 | C39 | C41 | 94.4° | 65.7° |
| C31 | N30 | C29 | H29 | 105.4° | 58.3° |
| C31 | N30 | C29 | H29A | 134.6° | 178.2° |
| N30 | C31 | H31 | H31A | 118.8° | 119.9° |
| N30 | C31 | C32 | H32 | 84.4° | 60.8° |
| N30 | C31 | C32 | H32A | 155.6° | 179.1° |
| C31 | N30 | C39 | H39 | 25.6° | 54.2° |
| C31 | N30 | C39 | H39A | 145.6° | 174.2° |
| C39 | N30 | C31 | C32 | 171.2° | 174.2° |
| N30 | C39 | C41 | H39 | 120.0° | 119.9° |
| N30 | C39 | C41 | H39A | 120.0° | 120.1° |
| N30 | C39 | C41 | C43 | 164.5° | 180.0° |
| C39 | N30 | C29 | H29 | 72.7° | 65.8° |
| C39 | N30 | C29 | H29A | 47.3° | 54.1° |
| C39 | N30 | C31 | H31 | 68.8° | 65.9° |
| C39 | N30 | C31 | H31A | 51.2° | 54.1° |
| N30 | C39 | H39 | H39A | 121.0° | 120.1° |
| N30 | C39 | C41 | H41 | 44.5° | 60.1° |
| N30 | C39 | C41 | H41A | 75.5° | 60.0° |
| C31 | C32 | C26 | H26 | 54.3° | 62.3° |
| C32 | C31 | H31 | H31A | 118.8° | 120.1° |
| C31 | C32 | H32 | H32A | 119.4° | 120.1° |
| C39 | C41 | C43 | H41 | 120.0° | 120.0° |
| C39 | C41 | C43 | H41A | 120.0° | 120.0° |
| C39 | C41 | C43 | N45 | 144.8° | 180.0° |
| C41 | C39 | H39 | H39A | 121.0° | 120.0° |
| C39 | C41 | H41 | H41A | 119.4° | 120.0° |
| C39 | C41 | C43 | H43 | 95.2° | 60.0° |
| C39 | C41 | C43 | H43A | 24.8° | 59.9° |
| C41 | C43 | N45 | H43 | 120.0° | 120.0° |
| C41 | C43 | N45 | H43A | 120.0° | 120.1° |
| C41 | C43 | N45 | N47 | 86.1° | 90.0° |
| C41 | C43 | N45 | C51 | 93.4° | 89.7° |
| C43 | C41 | C39 | H39 | 75.5° | 60.0° |
| C43 | C41 | C39 | H39A | 44.5° | 60.0° |
| C43 | C41 | H41 | H41A | 119.4° | 120.0° |
| C41 | C43 | H43 | H43A | 120.1° | 120.0° |
| C43 | N45 | N47 | C51 | 179.5° | 179.7° |
| C43 | N45 | N47 | C48 | 179.5° | 180.0° |
| C43 | N45 | C51 | C50 | 179.9° | 179.7° |
| C43 | N45 | C51 | O71 | 0.5° | 0.0° |
| N45 | C43 | C41 | H41 | 24.8° | 60.0° |
| N45 | C43 | C41 | H41A | 95.2° | 60.0° |
| N45 | C43 | H43 | H43A | 120.1° | 120.0° |
| N45 | N47 | C48 | C49 | 0.4° | 0.0° |
| N45 | N47 | C48 | C58 | 179.7° | 180.0° |
| N47 | N45 | C51 | C50 | 0.4° | 0.5° |
| N47 | N45 | C51 | O71 | 179.9° | 179.7° |
| N47 | N45 | C43 | H43 | 153.9° | 150.0° |
| N47 | N45 | C43 | H43A | 33.9° | 30.1° |
| C51 | N45 | N47 | C48 | 0.1° | 0.3° |
| N45 | C51 | C50 | C49 | 0.3° | 0.6° |
| N45 | C51 | C50 | O71 | 179.7° | 179.7° |
| C51 | N45 | C43 | H43 | 26.6° | 30.3° |
| C51 | N45 | C43 | H43A | 146.6° | 150.2° |
| N45 | C51 | C50 | H50 | 179.7° | 179.7° |
| N47 | C48 | C49 | C58 | 179.3° | 179.9° |
| N47 | C48 | C49 | C50 | 0.6° | 0.0° |
| N47 | C48 | C58 | C60 | 38.1° | 180.0° |
| N47 | C48 | C58 | C64 | 142.3° | 0.2° |
| N47 | C48 | C49 | H49 | 179.4° | 180.0° |
| C48 | C49 | C50 | H49 | 180.0° | 179.9° |
| C48 | C49 | C50 | C51 | 0.2° | 0.3° |
| C49 | C48 | C58 | C60 | 141.2° | 0.1° |
| C49 | C48 | C58 | C64 | 38.4° | 179.7° |
| C48 | C49 | C50 | H50 | 179.8° | 180.0° |
| C58 | C48 | C49 | C50 | 179.9° | 179.9° |
| C48 | C58 | C60 | C64 | 179.6° | 179.8° |
| C48 | C58 | C60 | C61 | 179.5° | 180.0° |
| C48 | C58 | C64 | C63 | 179.5° | 179.7° |
| C58 | C48 | C49 | H49 | 0.1° | 0.0° |
| C48 | C58 | C60 | H60 | 0.5° | 0.0° |
| C48 | C58 | C64 | H64 | 0.5° | 0.0° |
| C49 | C50 | C51 | H50 | 180.0° | 179.7° |
| C49 | C50 | C51 | O71 | 179.9° | 179.7° |
| C51 | C50 | C49 | H49 | 179.8° | 179.8° |
| O71 | C51 | C50 | H50 | 0.1° | 0.0° |
| C58 | C60 | C61 | H60 | 180.0° | 180.0° |
| C58 | C60 | C61 | C62 | 0.2° | 0.0° |
| C60 | C58 | C64 | C63 | 0.1° | 0.5° |
| C58 | C60 | C61 | H61 | 179.9° | 180.0° |
| C60 | C58 | C64 | H64 | 179.9° | 179.8° |
| C64 | C58 | C60 | C61 | 0.1° | 0.2° |
| C58 | C64 | C63 | C62 | 0.2° | 0.6° |
| C58 | C64 | C63 | H64 | 180.0° | 179.7° |
| C58 | C64 | C63 | C75 | 180.0° | 179.7° |
| C64 | C58 | C60 | H60 | 179.9° | 179.8° |
| C60 | C61 | C62 | H61 | 180.0° | 180.0° |
| C60 | C61 | C62 | C63 | 0.3° | 0.0° |
| C61 | C62 | C63 | C64 | 0.3° | 0.3° |
| C61 | C62 | C63 | C75 | 180.0° | 180.0° |
| C62 | C61 | C60 | H60 | 179.8° | 179.9° |
| C62 | C63 | C64 | C75 | 179.7° | 179.7° |
| C62 | C63 | C75 | N77 | 105.9° | 75.0° |
| C63 | C62 | C61 | H61 | 179.7° | 179.9° |
| C62 | C63 | C64 | H64 | 179.8° | 179.7° |
| C62 | C63 | C75 | H75 | 134.2° | 45.0° |
| C62 | C63 | C75 | H75A | 14.1° | 165.0° |
| C64 | C63 | C75 | N77 | 73.8° | 105.3° |
| C64 | C63 | C75 | H75 | 46.1° | 134.7° |
| C64 | C63 | C75 | H75A | 166.2° | 14.7° |
| C63 | C75 | N77 | H75 | 120.0° | 120.1° |
| C63 | C75 | N77 | H75A | 120.0° | 120.0° |
| C63 | C75 | N77 | C79 | 127.2° | 180.0° |
| C75 | C63 | C64 | H64 | 0.0° | 0.0° |
| C63 | C75 | H75 | H75A | 120.3° | 120.1° |
| C63 | C75 | N77 | HN77 | 52.8° | 0.0° |
| C75 | N77 | C79 | HN77 | 180.0° | 180.0° |
| C75 | N77 | C79 | C81 | 177.2° | 180.0° |
| C75 | N77 | C79 | O94 | 1.9° | 0.0° |
| N77 | C75 | H75 | H75A | 120.2° | 119.9° |
| N77 | C79 | C81 | O94 | 179.2° | 180.0° |
| N77 | C79 | C81 | C83 | 134.1° | 180.0° |
| N77 | C79 | C81 | C87 | 45.8° | 0.3° |
| C79 | N77 | C75 | H75 | 7.2° | 60.0° |
| C79 | N77 | C75 | H75A | 112.8° | 60.0° |
| C79 | C81 | C83 | C87 | 179.8° | 179.7° |
| C79 | C81 | C83 | C84 | 179.9° | 180.0° |
| C79 | C81 | C87 | C86 | 179.9° | 179.8° |
| C81 | C79 | N77 | HN77 | 2.8° | 0.0° |
| C79 | C81 | C83 | H83 | 0.1° | 0.1° |
| C79 | C81 | C87 | H87 | 0.0° | 0.0° |
| O94 | C79 | C81 | C83 | 45.1° | 0.0° |
| O94 | C79 | C81 | C87 | 135.1° | 179.7° |
| O94 | C79 | N77 | HN77 | 178.1° | 180.0° |
| C81 | C83 | C84 | H83 | 180.0° | 179.9° |
| C81 | C83 | C84 | C85 | 0.0° | 0.0° |
| C83 | C81 | C87 | C86 | 0.2° | 0.6° |
| C81 | C83 | C84 | H84 | 180.0° | 180.0° |
| C83 | C81 | C87 | H87 | 179.8° | 179.7° |
| C87 | C81 | C83 | C84 | 0.1° | 0.3° |
| C81 | C87 | C86 | C85 | 0.3° | 0.5° |
| C81 | C87 | C86 | H87 | 180.0° | 179.7° |
| C87 | C81 | C83 | H83 | 179.9° | 179.8° |
| C81 | C87 | C86 | H86 | 179.7° | 179.7° |
| C83 | C84 | C85 | H84 | 180.0° | 180.0° |
| C83 | C84 | C85 | C86 | 0.0° | 0.0° |
| C83 | C84 | C85 | H85 | 179.9° | 180.0° |
| C84 | C85 | C86 | H85 | 180.0° | 179.9° |
| C84 | C85 | C86 | C87 | 0.2° | 0.2° |
| C85 | C84 | C83 | H83 | 180.0° | 179.9° |
| C84 | C85 | C86 | H86 | 179.8° | 180.0° |
| C85 | C86 | C87 | H86 | 180.0° | 179.8° |
| C86 | C85 | C84 | H84 | 180.0° | 180.0° |
| C85 | C86 | C87 | H87 | 179.7° | 179.8° |
| C87 | C86 | C85 | H85 | 179.8° | 179.7° |
| H5 | C5 | C6 | H6 | 0.2° | 0.2° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H26 | C26 | C28 | H28 | 69.6° | 57.6° |
| H26 | C26 | C28 | H28A | 170.4° | 177.8° |
| H26 | C26 | C32 | H32 | 174.3° | 177.8° |
| H26 | C26 | C32 | H32A | 65.7° | 57.7° |
| H28 | C28 | C29 | H29 | 42.8° | 59.0° |
| H28 | C28 | C29 | H29A | 77.3° | 60.9° |
| H28A | C28 | C29 | H29 | 162.8° | 179.2° |
| H28A | C28 | C29 | H29A | 42.7° | 59.3° |
| H31 | C31 | C32 | H32 | 155.7° | 179.3° |
| H31 | C31 | C32 | H32A | 35.7° | 59.2° |
| H31A | C31 | C32 | H32 | 35.6° | 59.2° |
| H31A | C31 | C32 | H32A | 84.4° | 60.9° |
| H39 | C39 | C41 | H41 | 164.5° | 180.0° |
| H39 | C39 | C41 | H41A | 44.5° | 60.0° |
| H39A | C39 | C41 | H41 | 75.5° | 60.0° |
| H39A | C39 | C41 | H41A | 164.5° | 179.9° |
| H41 | C41 | C43 | H43 | 144.8° | 179.9° |
| H41 | C41 | C43 | H43A | 95.2° | 60.0° |
| H41A | C41 | C43 | H43 | 24.8° | 60.0° |
| H41A | C41 | C43 | H43A | 144.8° | 179.9° |
| H49 | C49 | C50 | H50 | 0.3° | 0.1° |
| H60 | C60 | C61 | H61 | 0.1° | 0.0° |
| H75 | C75 | N77 | HN77 | 172.8° | 120.0° |
| H75A | C75 | N77 | HN77 | 67.2° | 120.0° |
| H83 | C83 | C84 | H84 | 0.0° | 0.1° |
| H84 | C84 | C85 | H85 | 0.1° | 0.0° |
| H85 | C85 | C86 | H86 | 0.2° | 0.1° |
| H86 | C86 | C87 | H87 | 0.3° | 0.1° |
