1UN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C1 | C10 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C9 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32A | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| N7 | C8 | sing | 1.47Å | 1.48Å | |
| N7 | C10 | sing | 1.47Å | 1.48Å | |
| N7 | C18 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.51Å | 1.56Å | |
| C8 | C11 | sing | 1.51Å | 1.50Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | N12 | sing | 1.35Å | 1.36Å | |
| C11 | O17 | doub | 1.21Å | 1.25Å | |
| N12 | C13 | sing | 1.46Å | 1.48Å | |
| N12 | HNC | sing | 0.97Å | 0.98Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C13 | C16 | sing | 1.53Å | 1.56Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O21 | sing | 1.43Å | 1.43Å | |
| C19 | H19 | sing | 1.09Å | 1.12Å | |
| C20 | N22 | sing | 1.46Å | 1.46Å | |
| C20 | C23 | sing | 1.53Å | 1.50Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| O21 | HOL | sing | 0.97Å | 0.95Å | |
| N22 | C24 | sing | 1.35Å | 1.35Å | |
| N22 | HNM | sing | 0.97Å | 0.98Å | |
| C23 | S74 | sing | 1.81Å | 1.80Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | O25 | doub | 1.22Å | 1.24Å | |
| C24 | C29 | sing | 1.48Å | 1.45Å | |
| C29 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C29 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | O38 | sing | 1.36Å | 1.37Å | |
| C34 | C39 | sing | 1.51Å | 1.50Å | |
| O38 | HO | sing | 0.97Å | 0.95Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.11Å | |
| S74 | C77 | sing | 1.76Å | 1.72Å | |
| C77 | C78 | doub | 1.39Å | 1.39Å | Aromatic |
| C77 | C82 | sing | 1.39Å | 1.39Å | Aromatic |
| C78 | C79 | sing | 1.38Å | 1.38Å | Aromatic |
| C78 | H78 | sing | 1.08Å | 1.10Å | |
| C79 | C80 | doub | 1.38Å | 1.40Å | Aromatic |
| C79 | H79 | sing | 1.08Å | 1.10Å | |
| C80 | C81 | sing | 1.38Å | 1.40Å | Aromatic |
| C80 | H80 | sing | 1.08Å | 1.10Å | |
| C81 | C82 | doub | 1.38Å | 1.39Å | Aromatic |
| C81 | H81 | sing | 1.08Å | 1.10Å | |
| C82 | H82 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 111.7° | 110.2° |
| C2 | C1 | C10 | 107.6° | 108.7° |
| C2 | C1 | H1 | 110.2° | 109.7° |
| C1 | C2 | C3 | 111.1° | 110.1° |
| C1 | C2 | C9 | 108.2° | 108.1° |
| C1 | C2 | H2 | 110.6° | 109.9° |
| C6 | C1 | C10 | 111.8° | 108.9° |
| C6 | C1 | H1 | 105.7° | 109.7° |
| C1 | C6 | C5 | 104.5° | 109.7° |
| C1 | C6 | H61 | 114.1° | 109.4° |
| C1 | C6 | H62 | 114.1° | 109.5° |
| C10 | C1 | H1 | 110.0° | 109.7° |
| C1 | C10 | N7 | 110.2° | 109.5° |
| C1 | C10 | H101 | 111.9° | 109.5° |
| C1 | C10 | H102 | 111.9° | 109.4° |
| C3 | C2 | C9 | 113.1° | 110.0° |
| C3 | C2 | H2 | 105.4° | 109.4° |
| C2 | C3 | C4 | 109.6° | 110.5° |
| C2 | C3 | H31A | 112.2° | 108.8° |
| C2 | C3 | H32A | 112.2° | 109.4° |
| C9 | C2 | H2 | 108.4° | 109.3° |
| C2 | C9 | C8 | 111.7° | 109.9° |
| C2 | C9 | H91 | 111.4° | 109.5° |
| C2 | C9 | H92 | 111.4° | 109.5° |
| C4 | C3 | H31A | 112.2° | 109.4° |
| C4 | C3 | H32A | 112.1° | 109.4° |
| C3 | C4 | C5 | 110.6° | 109.2° |
| C3 | C4 | H41 | 111.8° | 109.6° |
| C3 | C4 | H42 | 111.8° | 109.5° |
| H31A | C3 | H32A | 98.3° | 109.4° |
| C5 | C4 | H41 | 111.8° | 109.5° |
| C5 | C4 | H42 | 111.8° | 109.5° |
| C4 | C5 | C6 | 110.0° | 109.4° |
| C4 | C5 | H51 | 112.0° | 109.5° |
| C4 | C5 | H52 | 112.0° | 109.5° |
| H41 | C4 | H42 | 98.6° | 109.5° |
| C6 | C5 | H51 | 112.0° | 109.5° |
| C6 | C5 | H52 | 112.0° | 109.5° |
| C5 | C6 | H61 | 114.1° | 109.4° |
| C5 | C6 | H62 | 114.1° | 109.4° |
| H51 | C5 | H52 | 98.3° | 109.5° |
| H61 | C6 | H62 | 96.3° | 109.4° |
| C8 | N7 | C10 | 108.6° | 107.5° |
| C8 | N7 | C18 | 112.9° | 106.7° |
| N7 | C8 | C9 | 109.8° | 109.3° |
| N7 | C8 | C11 | 109.8° | 108.9° |
| N7 | C8 | H8 | 108.4° | 110.5° |
| C10 | N7 | C18 | 103.9° | 106.7° |
| N7 | C10 | H101 | 111.9° | 109.5° |
| N7 | C10 | H102 | 111.9° | 109.5° |
| N7 | C18 | C19 | 108.3° | 109.4° |
| N7 | C18 | H181 | 112.6° | 109.4° |
| N7 | C18 | H182 | 112.7° | 109.4° |
| C9 | C8 | C11 | 107.5° | 109.4° |
| C9 | C8 | H8 | 110.7° | 109.4° |
| C8 | C9 | H91 | 111.4° | 109.0° |
| C8 | C9 | H92 | 111.3° | 109.3° |
| C11 | C8 | H8 | 110.7° | 109.4° |
| C8 | C11 | N12 | 110.3° | 120.0° |
| C8 | C11 | O17 | 120.5° | 120.0° |
| H91 | C9 | H92 | 99.0° | 109.6° |
| H101 | C10 | H102 | 98.5° | 109.5° |
| N12 | C11 | O17 | 129.1° | 120.0° |
| C11 | N12 | C13 | 125.0° | 120.0° |
| C11 | N12 | HNC | 120.1° | 120.0° |
| C13 | N12 | HNC | 114.4° | 120.1° |
| N12 | C13 | C14 | 111.7° | 109.4° |
| N12 | C13 | C15 | 108.5° | 109.5° |
| N12 | C13 | C16 | 106.4° | 109.5° |
| C14 | C13 | C15 | 108.2° | 109.5° |
| C14 | C13 | C16 | 108.5° | 109.5° |
| C13 | C14 | H141 | 111.7° | 109.5° |
| C13 | C14 | H142 | 111.4° | 109.5° |
| C13 | C14 | H143 | 111.5° | 109.5° |
| C15 | C13 | C16 | 113.6° | 109.5° |
| C13 | C15 | H151 | 108.5° | 109.5° |
| C13 | C15 | H152 | 112.6° | 109.4° |
| C13 | C15 | H153 | 112.6° | 109.4° |
| C13 | C16 | H161 | 106.4° | 109.5° |
| C13 | C16 | H162 | 113.3° | 109.4° |
| C13 | C16 | H163 | 113.3° | 109.5° |
| H141 | C14 | H142 | 111.4° | 109.4° |
| H141 | C14 | H143 | 111.4° | 109.5° |
| H142 | C14 | H143 | 98.9° | 109.5° |
| H151 | C15 | H152 | 112.6° | 109.5° |
| H151 | C15 | H153 | 112.5° | 109.5° |
| H152 | C15 | H153 | 97.9° | 109.5° |
| H161 | C16 | H162 | 113.4° | 109.5° |
| H161 | C16 | H163 | 113.4° | 109.5° |
| H162 | C16 | H163 | 97.2° | 109.5° |
| C19 | C18 | H181 | 112.6° | 109.5° |
| C19 | C18 | H182 | 112.6° | 109.5° |
| C18 | C19 | C20 | 115.1° | 109.4° |
| C18 | C19 | O21 | 104.4° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| H181 | C18 | H182 | 97.9° | 109.6° |
| C20 | C19 | O21 | 110.3° | 109.4° |
| C20 | C19 | H19 | 103.5° | 109.5° |
| C19 | C20 | N22 | 104.2° | 109.5° |
| C19 | C20 | C23 | 116.2° | 109.5° |
| C19 | C20 | H20 | 107.4° | 109.4° |
| O21 | C19 | H19 | 114.4° | 109.5° |
| C19 | O21 | HOL | 104.2° | 106.8° |
| N22 | C20 | C23 | 105.5° | 109.5° |
| N22 | C20 | H20 | 117.8° | 109.4° |
| C20 | N22 | C24 | 118.9° | 120.0° |
| C20 | N22 | HNM | 119.9° | 119.9° |
| C23 | C20 | H20 | 106.2° | 109.5° |
| C20 | C23 | S74 | 109.6° | 109.5° |
| C20 | C23 | H231 | 112.1° | 109.5° |
| C20 | C23 | H232 | 112.2° | 109.4° |
| C24 | N22 | HNM | 121.2° | 120.0° |
| N22 | C24 | O25 | 122.1° | 120.0° |
| N22 | C24 | C29 | 115.6° | 120.0° |
| S74 | C23 | H231 | 112.1° | 109.5° |
| S74 | C23 | H232 | 112.1° | 109.5° |
| C23 | S74 | C77 | 105.0° | 100.0° |
| H231 | C23 | H232 | 98.3° | 109.5° |
| O25 | C24 | C29 | 122.2° | 120.0° |
| C24 | C29 | C30 | 119.8° | 120.2° |
| C24 | C29 | C34 | 120.3° | 120.1° |
| C30 | C29 | C34 | 119.8° | 119.7° |
| C29 | C30 | C31 | 121.8° | 120.0° |
| C29 | C30 | H30 | 119.9° | 120.0° |
| C29 | C34 | C33 | 117.4° | 119.8° |
| C29 | C34 | C39 | 123.4° | 120.1° |
| C31 | C30 | H30 | 118.3° | 120.0° |
| C30 | C31 | C32 | 118.4° | 120.2° |
| C30 | C31 | H31 | 121.1° | 119.9° |
| C32 | C31 | H31 | 120.6° | 119.9° |
| C31 | C32 | C33 | 120.2° | 120.2° |
| C31 | C32 | H32 | 119.2° | 119.9° |
| C33 | C32 | H32 | 120.6° | 119.9° |
| C32 | C33 | C34 | 122.3° | 120.1° |
| C32 | C33 | O38 | 119.7° | 120.0° |
| C34 | C33 | O38 | 117.8° | 120.0° |
| C33 | C34 | C39 | 119.1° | 120.1° |
| C33 | O38 | HO | 109.1° | 106.8° |
| C34 | C39 | H391 | 123.5° | 109.5° |
| C34 | C39 | H392 | 107.3° | 109.4° |
| C34 | C39 | H393 | 107.3° | 109.4° |
| H391 | C39 | H392 | 107.2° | 109.5° |
| H391 | C39 | H393 | 107.2° | 109.5° |
| H392 | C39 | H393 | 102.5° | 109.5° |
| S74 | C77 | C78 | 116.2° | 120.1° |
| S74 | C77 | C82 | 120.9° | 120.1° |
| C78 | C77 | C82 | 122.9° | 119.9° |
| C77 | C78 | C79 | 117.8° | 119.9° |
| C77 | C78 | H78 | 121.4° | 120.0° |
| C77 | C82 | C81 | 119.4° | 119.9° |
| C77 | C82 | H82 | 120.1° | 120.0° |
| C79 | C78 | H78 | 120.8° | 120.1° |
| C78 | C79 | C80 | 120.2° | 120.1° |
| C78 | C79 | H79 | 119.3° | 120.0° |
| C80 | C79 | H79 | 120.5° | 119.9° |
| C79 | C80 | C81 | 121.4° | 120.2° |
| C79 | C80 | H80 | 119.2° | 119.9° |
| C81 | C80 | H80 | 119.3° | 119.9° |
| C80 | C81 | C82 | 118.2° | 120.1° |
| C80 | C81 | H81 | 121.1° | 119.9° |
| C82 | C81 | H81 | 120.7° | 120.0° |
| C81 | C82 | H82 | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C10 | 120.6° | 119.2° |
| C2 | C1 | C6 | H1 | 119.8° | 120.8° |
| C2 | C1 | C10 | H1 | 120.0° | 119.9° |
| C1 | C2 | C3 | C9 | 121.9° | 119.0° |
| C1 | C2 | C3 | H2 | 119.8° | 120.9° |
| C1 | C2 | C9 | H2 | 120.0° | 119.7° |
| C1 | C2 | C3 | C4 | 54.6° | 57.8° |
| C1 | C2 | C3 | H31A | 179.9° | 62.3° |
| C1 | C2 | C3 | H32A | 70.6° | 178.3° |
| C2 | C1 | C6 | C5 | 60.5° | 58.9° |
| C2 | C1 | C6 | H61 | 174.2° | 178.9° |
| C2 | C1 | C6 | H62 | 64.8° | 61.2° |
| C2 | C1 | C10 | N7 | 64.1° | 62.1° |
| C1 | C2 | C9 | C8 | 55.0° | 56.9° |
| C1 | C2 | C9 | H91 | 179.7° | 176.6° |
| C1 | C2 | C9 | H92 | 70.2° | 63.2° |
| C2 | C1 | C10 | H101 | 170.6° | 57.9° |
| C2 | C1 | C10 | H102 | 61.1° | 177.9° |
| C6 | C1 | C10 | H1 | 117.1° | 120.0° |
| C6 | C1 | C2 | C3 | 58.9° | 57.3° |
| C6 | C1 | C2 | C9 | 65.8° | 62.9° |
| C6 | C1 | C2 | H2 | 175.6° | 177.9° |
| C1 | C6 | C5 | C4 | 62.8° | 60.4° |
| C1 | C6 | C5 | H61 | 125.3° | 120.1° |
| C1 | C6 | C5 | H62 | 125.3° | 120.1° |
| C1 | C6 | C5 | H51 | 171.9° | 59.5° |
| C1 | C6 | C5 | H52 | 62.5° | 179.6° |
| C1 | C6 | H61 | H62 | 120.0° | 119.9° |
| C6 | C1 | C10 | N7 | 58.8° | 58.0° |
| C6 | C1 | C10 | H101 | 66.5° | 178.0° |
| C6 | C1 | C10 | H102 | 175.9° | 62.0° |
| C10 | C1 | C2 | C3 | 178.1° | 176.6° |
| C10 | C1 | C2 | C9 | 57.2° | 56.4° |
| C10 | C1 | C2 | H2 | 61.4° | 62.8° |
| C10 | C1 | C6 | C5 | 178.9° | 178.0° |
| C10 | C1 | C6 | H61 | 53.6° | 61.9° |
| C10 | C1 | C6 | H62 | 55.8° | 58.0° |
| C1 | C10 | N7 | C8 | 66.1° | 65.8° |
| C1 | C10 | N7 | H101 | 125.2° | 120.0° |
| C1 | C10 | N7 | H102 | 125.3° | 119.9° |
| C1 | C10 | N7 | C18 | 173.5° | 180.0° |
| C1 | C10 | H101 | H102 | 117.8° | 120.0° |
| H1 | C1 | C2 | C3 | 58.2° | 63.5° |
| H1 | C1 | C2 | C9 | 177.0° | 176.3° |
| H1 | C1 | C2 | H2 | 58.4° | 57.0° |
| H1 | C1 | C6 | C5 | 59.3° | 62.0° |
| H1 | C1 | C6 | H61 | 66.0° | 58.1° |
| H1 | C1 | C6 | H62 | 175.4° | 178.0° |
| H1 | C1 | C10 | N7 | 175.9° | 178.0° |
| H1 | C1 | C10 | H101 | 50.6° | 62.0° |
| H1 | C1 | C10 | H102 | 58.8° | 58.1° |
| C3 | C2 | C9 | H2 | 116.5° | 120.2° |
| C2 | C3 | C4 | H31A | 125.3° | 119.7° |
| C2 | C3 | C4 | H32A | 125.2° | 120.5° |
| C2 | C3 | H31A | H32A | 118.1° | 119.4° |
| C2 | C3 | C4 | C5 | 57.6° | 59.4° |
| C2 | C3 | C4 | H41 | 67.7° | 179.4° |
| C2 | C3 | C4 | H42 | 177.2° | 60.5° |
| C3 | C2 | C9 | C8 | 178.5° | 177.1° |
| C3 | C2 | C9 | H91 | 56.2° | 63.2° |
| C3 | C2 | C9 | H92 | 53.3° | 57.0° |
| C9 | C2 | C3 | C4 | 67.2° | 61.2° |
| C9 | C2 | C3 | H31A | 58.0° | 178.7° |
| C9 | C2 | C3 | H32A | 167.6° | 59.3° |
| C2 | C9 | C8 | N7 | 57.1° | 61.9° |
| C2 | C9 | C8 | H91 | 125.3° | 120.0° |
| C2 | C9 | C8 | H92 | 125.2° | 120.2° |
| C2 | C9 | C8 | C11 | 176.5° | 179.0° |
| C2 | C9 | C8 | H8 | 62.5° | 59.2° |
| C2 | C9 | H91 | H92 | 117.3° | 120.1° |
| H2 | C2 | C3 | C4 | 174.5° | 178.7° |
| H2 | C2 | C3 | H31A | 60.3° | 58.6° |
| H2 | C2 | C3 | H32A | 49.2° | 60.8° |
| H2 | C2 | C9 | C8 | 65.0° | 62.7° |
| H2 | C2 | C9 | H91 | 60.3° | 56.9° |
| H2 | C2 | C9 | H92 | 169.8° | 177.1° |
| C4 | C3 | H31A | H32A | 118.1° | 119.8° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 119.9° |
| C3 | C4 | H41 | H42 | 117.7° | 120.1° |
| C3 | C4 | C5 | C6 | 63.5° | 60.5° |
| C3 | C4 | C5 | H51 | 171.2° | 59.5° |
| C3 | C4 | C5 | H52 | 61.8° | 179.5° |
| H31A | C3 | C4 | C5 | 177.2° | 60.3° |
| H31A | C3 | C4 | H41 | 57.6° | 59.6° |
| H31A | C3 | C4 | H42 | 51.9° | 179.8° |
| H32A | C3 | C4 | C5 | 67.7° | 179.9° |
| H32A | C3 | C4 | H41 | 167.1° | 60.1° |
| H32A | C3 | C4 | H42 | 57.6° | 60.0° |
| C5 | C4 | H41 | H42 | 117.7° | 120.1° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 117.9° | 120.1° |
| C4 | C5 | C6 | H61 | 171.9° | 179.5° |
| C4 | C5 | C6 | H62 | 62.5° | 59.6° |
| H41 | C4 | C5 | C6 | 61.8° | 179.5° |
| H41 | C4 | C5 | H51 | 63.5° | 60.5° |
| H41 | C4 | C5 | H52 | 172.9° | 59.5° |
| H42 | C4 | C5 | C6 | 171.2° | 59.4° |
| H42 | C4 | C5 | H51 | 46.0° | 179.4° |
| H42 | C4 | C5 | H52 | 63.4° | 60.6° |
| C6 | C5 | H51 | H52 | 117.9° | 120.0° |
| C5 | C6 | H61 | H62 | 120.0° | 119.8° |
| H51 | C5 | C6 | H61 | 46.6° | 60.5° |
| H51 | C5 | C6 | H62 | 62.7° | 179.6° |
| H52 | C5 | C6 | H61 | 62.8° | 59.5° |
| H52 | C5 | C6 | H62 | 172.1° | 60.3° |
| C8 | N7 | C10 | C18 | 120.4° | 114.2° |
| N7 | C8 | C9 | C11 | 119.4° | 119.1° |
| N7 | C8 | C9 | H8 | 119.6° | 121.1° |
| N7 | C8 | C11 | H8 | 119.6° | 120.9° |
| N7 | C8 | C9 | H91 | 177.6° | 178.1° |
| N7 | C8 | C9 | H92 | 68.1° | 58.3° |
| C8 | N7 | C10 | H101 | 168.6° | 54.2° |
| C8 | N7 | C10 | H102 | 59.1° | 174.3° |
| N7 | C8 | C11 | N12 | 144.3° | 150.7° |
| N7 | C8 | C11 | O17 | 39.5° | 29.2° |
| C8 | N7 | C18 | C19 | 152.7° | 178.0° |
| C8 | N7 | C18 | H181 | 82.1° | 58.1° |
| C8 | N7 | C18 | H182 | 27.5° | 62.0° |
| C10 | N7 | C8 | C9 | 60.9° | 65.4° |
| C10 | N7 | C8 | C11 | 178.9° | 175.2° |
| C10 | N7 | C8 | H8 | 60.1° | 55.0° |
| N7 | C10 | H101 | H102 | 117.8° | 120.0° |
| C10 | N7 | C18 | C19 | 89.8° | 67.3° |
| C10 | N7 | C18 | H181 | 35.4° | 172.8° |
| C10 | N7 | C18 | H182 | 145.0° | 52.7° |
| C18 | N7 | C8 | C9 | 175.6° | 179.6° |
| C18 | N7 | C8 | C11 | 66.4° | 61.0° |
| C18 | N7 | C8 | H8 | 54.6° | 59.1° |
| C18 | N7 | C10 | H101 | 48.2° | 60.0° |
| C18 | N7 | C10 | H102 | 61.3° | 60.1° |
| N7 | C18 | C19 | H181 | 125.2° | 119.9° |
| N7 | C18 | C19 | H182 | 125.3° | 119.9° |
| N7 | C18 | H181 | H182 | 118.6° | 120.0° |
| N7 | C18 | C19 | C20 | 79.5° | 169.0° |
| N7 | C18 | C19 | O21 | 159.5° | 71.1° |
| N7 | C18 | C19 | H19 | 36.6° | 49.0° |
| C9 | C8 | C11 | H8 | 121.0° | 119.8° |
| C8 | C9 | H91 | H92 | 117.3° | 119.6° |
| C9 | C8 | C11 | N12 | 96.3° | 90.0° |
| C9 | C8 | C11 | O17 | 79.9° | 90.1° |
| C11 | C8 | C9 | H91 | 58.2° | 59.0° |
| C11 | C8 | C9 | H92 | 51.3° | 60.8° |
| C8 | C11 | N12 | O17 | 175.8° | 179.9° |
| C8 | C11 | N12 | C13 | 179.2° | 180.0° |
| C8 | C11 | N12 | HNC | 9.2° | 0.1° |
| H8 | C8 | C9 | H91 | 62.8° | 60.8° |
| H8 | C8 | C9 | H92 | 172.3° | 179.4° |
| H8 | C8 | C11 | N12 | 24.7° | 29.8° |
| H8 | C8 | C11 | O17 | 159.1° | 150.1° |
| C11 | N12 | C13 | HNC | 172.0° | 180.0° |
| C11 | N12 | C13 | C14 | 58.7° | 180.0° |
| C11 | N12 | C13 | C15 | 60.5° | 60.0° |
| C11 | N12 | C13 | C16 | 177.0° | 60.0° |
| O17 | C11 | N12 | C13 | 5.1° | 0.1° |
| O17 | C11 | N12 | HNC | 166.5° | 180.0° |
| N12 | C13 | C14 | C15 | 119.4° | 120.0° |
| N12 | C13 | C14 | C16 | 117.0° | 120.0° |
| N12 | C13 | C15 | C16 | 118.1° | 120.0° |
| N12 | C13 | C14 | H141 | 180.0° | 180.0° |
| N12 | C13 | C14 | H142 | 54.7° | 60.0° |
| N12 | C13 | C14 | H143 | 54.7° | 60.0° |
| N12 | C13 | C15 | H151 | 180.0° | 60.0° |
| N12 | C13 | C15 | H152 | 54.7° | 60.0° |
| N12 | C13 | C15 | H153 | 54.8° | 180.0° |
| N12 | C13 | C16 | H161 | 180.0° | 60.0° |
| N12 | C13 | C16 | H162 | 54.7° | 180.0° |
| N12 | C13 | C16 | H163 | 54.7° | 60.0° |
| HNC | N12 | C13 | C14 | 129.2° | 0.0° |
| HNC | N12 | C13 | C15 | 111.6° | 120.0° |
| HNC | N12 | C13 | C16 | 11.0° | 120.0° |
| C14 | C13 | C15 | C16 | 120.6° | 120.0° |
| C13 | C14 | H141 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H143 | 125.4° | 120.0° |
| C13 | C14 | H142 | H143 | 117.3° | 120.0° |
| C14 | C13 | C15 | H151 | 58.6° | 60.0° |
| C14 | C13 | C15 | H152 | 176.0° | 180.0° |
| C14 | C13 | C15 | H153 | 66.6° | 60.0° |
| C14 | C13 | C16 | H161 | 59.7° | 60.0° |
| C14 | C13 | C16 | H162 | 65.5° | 60.0° |
| C14 | C13 | C16 | H163 | 175.0° | 180.0° |
| C15 | C13 | C14 | H141 | 60.6° | 60.0° |
| C15 | C13 | C14 | H142 | 64.7° | 180.0° |
| C15 | C13 | C14 | H143 | 174.1° | 60.0° |
| C13 | C15 | H151 | H152 | 125.3° | 120.0° |
| C13 | C15 | H151 | H153 | 125.2° | 120.0° |
| C13 | C15 | H152 | H153 | 118.5° | 120.0° |
| C15 | C13 | C16 | H161 | 60.7° | 180.0° |
| C15 | C13 | C16 | H162 | 174.1° | 60.0° |
| C15 | C13 | C16 | H163 | 64.6° | 60.0° |
| C16 | C13 | C14 | H141 | 63.0° | 60.0° |
| C16 | C13 | C14 | H142 | 171.7° | 60.0° |
| C16 | C13 | C14 | H143 | 62.3° | 180.0° |
| C16 | C13 | C15 | H151 | 62.0° | 180.0° |
| C16 | C13 | C15 | H152 | 63.4° | 60.0° |
| C16 | C13 | C15 | H153 | 172.9° | 60.0° |
| C13 | C16 | H161 | H162 | 125.2° | 119.9° |
| C13 | C16 | H161 | H163 | 125.2° | 120.0° |
| C13 | C16 | H162 | H163 | 119.2° | 120.0° |
| H141 | C14 | H142 | H143 | 117.2° | 120.0° |
| H151 | C15 | H152 | H153 | 118.5° | 120.0° |
| H161 | C16 | H162 | H163 | 119.4° | 120.0° |
| C19 | C18 | H181 | H182 | 118.5° | 120.1° |
| C18 | C19 | C20 | O21 | 117.7° | 120.0° |
| C18 | C19 | C20 | H19 | 119.5° | 120.0° |
| C18 | C19 | O21 | H19 | 119.6° | 120.1° |
| C18 | C19 | C20 | N22 | 174.2° | 180.0° |
| C18 | C19 | C20 | C23 | 70.2° | 60.0° |
| C18 | C19 | C20 | H20 | 48.5° | 60.0° |
| C18 | C19 | O21 | HOL | 63.1° | 59.9° |
| H181 | C18 | C19 | C20 | 155.3° | 49.0° |
| H181 | C18 | C19 | O21 | 34.3° | 169.0° |
| H181 | C18 | C19 | H19 | 88.6° | 71.0° |
| H182 | C18 | C19 | C20 | 45.8° | 71.1° |
| H182 | C18 | C19 | O21 | 75.2° | 48.8° |
| H182 | C18 | C19 | H19 | 161.9° | 168.9° |
| C20 | C19 | O21 | H19 | 116.2° | 120.0° |
| C19 | C20 | N22 | C23 | 122.9° | 120.1° |
| C19 | C20 | N22 | H20 | 118.8° | 119.9° |
| C19 | C20 | C23 | H20 | 119.4° | 120.0° |
| C20 | C19 | O21 | HOL | 61.0° | 60.0° |
| C19 | C20 | N22 | C24 | 103.2° | 150.0° |
| C19 | C20 | N22 | HNM | 75.3° | 30.1° |
| C19 | C20 | C23 | S74 | 160.6° | 180.0° |
| C19 | C20 | C23 | H231 | 74.2° | 60.0° |
| C19 | C20 | C23 | H232 | 35.3° | 60.0° |
| O21 | C19 | C20 | N22 | 68.0° | 60.1° |
| O21 | C19 | C20 | C23 | 47.5° | 60.0° |
| O21 | C19 | C20 | H20 | 166.3° | 180.0° |
| H19 | C19 | C20 | N22 | 54.8° | 59.9° |
| H19 | C19 | C20 | C23 | 170.3° | 180.0° |
| H19 | C19 | C20 | H20 | 70.9° | 60.0° |
| H19 | C19 | O21 | HOL | 177.2° | 180.0° |
| N22 | C20 | C23 | H20 | 125.7° | 120.0° |
| C20 | N22 | C24 | HNM | 178.5° | 180.0° |
| N22 | C20 | C23 | S74 | 84.5° | 60.0° |
| N22 | C20 | C23 | H231 | 40.7° | 60.0° |
| N22 | C20 | C23 | H232 | 150.2° | 179.9° |
| C20 | N22 | C24 | O25 | 1.2° | 0.0° |
| C20 | N22 | C24 | C29 | 178.2° | 179.9° |
| C23 | C20 | N22 | C24 | 133.8° | 90.0° |
| C23 | C20 | N22 | HNM | 47.6° | 90.0° |
| C20 | C23 | S74 | H231 | 125.2° | 120.0° |
| C20 | C23 | S74 | H232 | 125.3° | 120.0° |
| C20 | C23 | H231 | H232 | 118.1° | 120.0° |
| C20 | C23 | S74 | C77 | 99.5° | 180.0° |
| H20 | C20 | N22 | C24 | 15.6° | 30.0° |
| H20 | C20 | N22 | HNM | 165.8° | 150.0° |
| H20 | C20 | C23 | S74 | 41.2° | 60.0° |
| H20 | C20 | C23 | H231 | 166.4° | 180.0° |
| H20 | C20 | C23 | H232 | 84.1° | 60.0° |
| N22 | C24 | O25 | C29 | 176.8° | 179.9° |
| N22 | C24 | C29 | C30 | 48.0° | 10.0° |
| N22 | C24 | C29 | C34 | 131.6° | 170.6° |
| HNM | N22 | C24 | O25 | 179.7° | 180.0° |
| HNM | N22 | C24 | C29 | 3.2° | 0.0° |
| S74 | C23 | H231 | H232 | 118.1° | 120.0° |
| C23 | S74 | C77 | C78 | 164.6° | 180.0° |
| C23 | S74 | C77 | C82 | 16.2° | 0.2° |
| H231 | C23 | S74 | C77 | 25.7° | 60.0° |
| H232 | C23 | S74 | C77 | 135.2° | 60.0° |
| O25 | C24 | C29 | C30 | 129.0° | 170.0° |
| O25 | C24 | C29 | C34 | 51.4° | 9.5° |
| C24 | C29 | C30 | C34 | 179.7° | 179.5° |
| C24 | C29 | C30 | C31 | 178.4° | 179.9° |
| C24 | C29 | C30 | H30 | 1.7° | 0.3° |
| C24 | C29 | C34 | C33 | 177.9° | 180.0° |
| C24 | C29 | C34 | C39 | 1.6° | 0.2° |
| C29 | C30 | C31 | H30 | 180.0° | 179.7° |
| C29 | C30 | C31 | C32 | 1.5° | 0.3° |
| C29 | C30 | C31 | H31 | 178.6° | 179.7° |
| C30 | C29 | C34 | C33 | 1.7° | 0.5° |
| C30 | C29 | C34 | C39 | 178.1° | 179.7° |
| C34 | C29 | C30 | C31 | 1.3° | 0.6° |
| C34 | C29 | C30 | H30 | 178.7° | 179.7° |
| C29 | C34 | C33 | C32 | 2.4° | 0.2° |
| C29 | C34 | C33 | C39 | 176.6° | 179.8° |
| C29 | C34 | C33 | O38 | 172.8° | 179.7° |
| C29 | C34 | C39 | H391 | 180.0° | 82.4° |
| C29 | C34 | C39 | H392 | 54.8° | 37.7° |
| C29 | C34 | C39 | H393 | 54.8° | 157.6° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 2.1° | 0.0° |
| C30 | C31 | C32 | H32 | 177.9° | 180.0° |
| H30 | C30 | C31 | C32 | 178.5° | 180.0° |
| H30 | C30 | C31 | H31 | 1.5° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 2.7° | 0.1° |
| C31 | C32 | C33 | O38 | 172.5° | 180.0° |
| H31 | C31 | C32 | C33 | 177.9° | 179.9° |
| H31 | C31 | C32 | H32 | 2.1° | 0.0° |
| C32 | C33 | C34 | O38 | 175.3° | 179.9° |
| C32 | C33 | C34 | C39 | 179.0° | 180.0° |
| C32 | C33 | O38 | HO | 10.2° | 90.0° |
| H32 | C32 | C33 | C34 | 177.3° | 179.9° |
| H32 | C32 | C33 | O38 | 7.5° | 0.1° |
| C34 | C33 | O38 | HO | 174.4° | 89.9° |
| C33 | C34 | C39 | H391 | 3.7° | 97.8° |
| C33 | C34 | C39 | H392 | 128.9° | 142.1° |
| C33 | C34 | C39 | H393 | 121.6° | 22.2° |
| O38 | C33 | C34 | C39 | 3.7° | 0.1° |
| C34 | C39 | H391 | H392 | 125.2° | 120.0° |
| C34 | C39 | H391 | H393 | 125.3° | 120.0° |
| C34 | C39 | H392 | H393 | 112.8° | 119.9° |
| H391 | C39 | H392 | H393 | 112.7° | 120.0° |
| S74 | C77 | C78 | C82 | 179.2° | 179.8° |
| S74 | C77 | C78 | C79 | 178.6° | 180.0° |
| S74 | C77 | C78 | H78 | 1.5° | 0.0° |
| S74 | C77 | C82 | C81 | 178.4° | 179.7° |
| S74 | C77 | C82 | H82 | 1.7° | 0.2° |
| C77 | C78 | C79 | H78 | 180.0° | 180.0° |
| C77 | C78 | C79 | C80 | 0.1° | 0.0° |
| C77 | C78 | C79 | H79 | 179.9° | 180.0° |
| C78 | C77 | C82 | C81 | 0.8° | 0.5° |
| C78 | C77 | C82 | H82 | 179.2° | 180.0° |
| C82 | C77 | C78 | C79 | 0.6° | 0.2° |
| C82 | C77 | C78 | H78 | 179.4° | 179.8° |
| C77 | C82 | C81 | C80 | 0.4° | 0.6° |
| C77 | C82 | C81 | H82 | 179.9° | 179.5° |
| C77 | C82 | C81 | H81 | 179.6° | 179.7° |
| C78 | C79 | C80 | H79 | 180.0° | 180.0° |
| C78 | C79 | C80 | C81 | 0.2° | 0.0° |
| C78 | C79 | C80 | H80 | 179.8° | 179.9° |
| H78 | C78 | C79 | C80 | 179.9° | 180.0° |
| H78 | C78 | C79 | H79 | 0.1° | 0.0° |
| C79 | C80 | C81 | H80 | 180.0° | 179.9° |
| C79 | C80 | C81 | C82 | 0.0° | 0.3° |
| C79 | C80 | C81 | H81 | 179.9° | 180.0° |
| H79 | C79 | C80 | C81 | 179.8° | 179.9° |
| H79 | C79 | C80 | H80 | 0.2° | 0.0° |
| C80 | C81 | C82 | H81 | 179.9° | 179.7° |
| C80 | C81 | C82 | H82 | 179.5° | 179.9° |
| H80 | C80 | C81 | C82 | 180.0° | 179.8° |
| H80 | C80 | C81 | H81 | 0.1° | 0.0° |
| H81 | C81 | C82 | H82 | 0.4° | 0.2° |
