UA4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N8 | sing | 1.41Å | 1.35Å | |
| C5 | N6 | doub | 1.35Å | 1.36Å | Aromatic |
| C5 | N4 | sing | 1.35Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.52Å | 1.51Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.10Å | 1.10Å | |
| C13 | C12 | doub | 1.39Å | 1.21Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.28Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C15 | C16 | sing | 1.40Å | 1.33Å | Aromatic |
| C15 | N20 | sing | 1.42Å | 1.36Å | |
| C15 | C14 | doub | 1.40Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.52Å | 1.53Å | |
| C22 | N20 | sing | 1.46Å | 1.47Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C24 | O25 | sing | 1.42Å | 1.42Å | |
| C24 | C23 | sing | 1.52Å | 1.52Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | O25 | sing | 1.42Å | 1.43Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C28 | C27 | doub | 1.39Å | 1.27Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.27Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| F34 | C31 | sing | 1.34Å | 1.32Å | |
| C31 | C32 | doub | 1.39Å | 1.34Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.47Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.48Å | Aromatic |
| C32 | H32 | sing | 1.09Å | 1.08Å | |
| C30 | C29 | doub | 1.39Å | 1.34Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| C29 | F33 | sing | 1.34Å | 1.31Å | |
| C27 | C18 | sing | 1.54Å | 1.52Å | |
| C18 | C19 | sing | 1.54Å | 1.51Å | |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| C18 | C35 | sing | 1.54Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C19 | N20 | sing | 1.40Å | 1.34Å | |
| C19 | O21 | doub | 1.23Å | 1.22Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C16 | C11 | doub | 1.40Å | 1.46Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C14 | O17 | sing | 1.37Å | 1.44Å | |
| C12 | C11 | sing | 1.39Å | 1.27Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C11 | C2 | sing | 1.45Å | 1.50Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.49Å | Aromatic |
| C1 | N6 | sing | 1.35Å | 1.35Å | Aromatic |
| C1 | C9 | sing | 1.50Å | 1.51Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C3 | N4 | doub | 1.35Å | 1.35Å | Aromatic |
| C3 | N7 | sing | 1.42Å | 1.36Å | |
| N7 | HN71 | sing | 1.00Å | 1.00Å | |
| N7 | HN72 | sing | 1.00Å | 1.00Å | |
| N8 | HN81 | sing | 1.00Å | 1.00Å | |
| N8 | HN82 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C5 | N6 | 119.9° | 116.6° |
| N8 | C5 | N4 | 118.7° | 116.5° |
| C5 | N8 | HN81 | 109.5° | 119.1° |
| C5 | N8 | HN82 | 109.5° | 119.1° |
| N6 | C5 | N4 | 121.4° | 127.0° |
| C5 | N6 | C1 | 122.6° | 114.9° |
| C5 | N4 | C3 | 120.6° | 115.0° |
| C9 | C10 | H101 | 109.5° | 111.1° |
| C9 | C10 | H102 | 109.5° | 110.6° |
| C9 | C10 | H103 | 109.5° | 111.1° |
| C10 | C9 | C1 | 110.9° | 112.2° |
| C10 | C9 | H91 | 109.0° | 109.2° |
| C10 | C9 | H92 | 108.7° | 109.3° |
| H101 | C10 | H102 | 109.5° | 108.0° |
| H101 | C10 | H103 | 109.4° | 107.8° |
| H102 | C10 | H103 | 109.5° | 108.1° |
| C12 | C13 | C14 | 125.0° | 119.9° |
| C12 | C13 | H13 | 117.5° | 119.6° |
| C13 | C12 | C11 | 120.7° | 119.7° |
| C13 | C12 | H12 | 119.7° | 120.3° |
| C14 | C13 | H13 | 117.5° | 120.5° |
| C13 | C14 | C15 | 122.1° | 121.1° |
| C13 | C14 | O17 | 119.7° | 116.6° |
| C16 | C15 | N20 | 120.1° | 122.8° |
| C16 | C15 | C14 | 115.8° | 118.4° |
| C15 | C16 | C11 | 117.5° | 120.6° |
| C15 | C16 | H16 | 121.3° | 121.4° |
| N20 | C15 | C14 | 124.1° | 118.7° |
| C15 | N20 | C22 | 122.1° | 119.7° |
| C15 | N20 | C19 | 120.0° | 120.2° |
| C15 | C14 | O17 | 118.3° | 122.2° |
| C23 | C22 | N20 | 107.7° | 112.5° |
| C23 | C22 | H221 | 110.1° | 110.1° |
| C23 | C22 | H222 | 110.4° | 111.1° |
| C22 | C23 | C24 | 109.9° | 112.8° |
| C22 | C23 | H231 | 109.3° | 109.3° |
| C22 | C23 | H232 | 109.2° | 110.4° |
| N20 | C22 | H221 | 110.0° | 106.9° |
| N20 | C22 | H222 | 110.4° | 107.8° |
| C22 | N20 | C19 | 117.3° | 120.0° |
| H221 | C22 | H222 | 108.1° | 108.2° |
| O25 | C24 | C23 | 110.9° | 108.8° |
| O25 | C24 | H241 | 109.0° | 108.3° |
| O25 | C24 | H242 | 108.7° | 108.5° |
| C24 | O25 | C26 | 112.5° | 111.5° |
| C23 | C24 | H241 | 109.0° | 111.2° |
| C23 | C24 | H242 | 108.7° | 110.9° |
| C24 | C23 | H231 | 109.3° | 108.9° |
| C24 | C23 | H232 | 109.2° | 109.4° |
| H241 | C24 | H242 | 110.6° | 109.0° |
| O25 | C26 | H261 | 109.5° | 109.5° |
| O25 | C26 | H262 | 109.5° | 109.5° |
| O25 | C26 | H263 | 109.5° | 109.0° |
| H261 | C26 | H262 | 109.5° | 110.1° |
| H261 | C26 | H263 | 109.4° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.4° |
| C27 | C28 | C29 | 124.1° | 119.7° |
| C27 | C28 | H28 | 117.9° | 120.8° |
| C28 | C27 | C32 | 119.6° | 120.6° |
| C28 | C27 | C18 | 120.6° | 119.7° |
| C29 | C28 | H28 | 117.9° | 119.5° |
| C28 | C29 | C30 | 122.4° | 120.0° |
| C28 | C29 | F33 | 119.8° | 120.0° |
| F34 | C31 | C32 | 121.6° | 120.0° |
| F34 | C31 | C30 | 121.2° | 120.0° |
| C32 | C31 | C30 | 117.2° | 120.0° |
| C31 | C32 | C27 | 118.0° | 119.7° |
| C31 | C32 | H32 | 121.0° | 119.5° |
| C31 | C30 | C29 | 118.6° | 120.0° |
| C31 | C30 | H30 | 120.7° | 120.0° |
| C27 | C32 | H32 | 121.0° | 120.9° |
| C32 | C27 | C18 | 119.8° | 119.7° |
| C29 | C30 | H30 | 120.7° | 120.0° |
| C30 | C29 | F33 | 117.7° | 120.0° |
| C27 | C18 | C19 | 105.9° | 113.1° |
| C27 | C18 | O17 | 110.2° | 110.7° |
| C27 | C18 | C35 | 111.4° | 107.6° |
| C19 | C18 | O17 | 112.3° | 111.6° |
| C19 | C18 | C35 | 109.7° | 108.2° |
| C18 | C19 | N20 | 121.7° | 114.5° |
| C18 | C19 | O21 | 117.9° | 121.3° |
| O17 | C18 | C35 | 107.5° | 105.2° |
| C18 | O17 | C14 | 120.7° | 114.4° |
| C18 | C35 | H351 | 109.5° | 110.6° |
| C18 | C35 | H352 | 109.5° | 110.6° |
| C18 | C35 | H353 | 109.5° | 110.6° |
| H351 | C35 | H352 | 109.4° | 108.3° |
| H351 | C35 | H353 | 109.4° | 108.3° |
| H352 | C35 | H353 | 109.5° | 108.3° |
| N20 | C19 | O21 | 120.4° | 124.0° |
| H231 | C23 | H232 | 109.8° | 105.8° |
| C11 | C16 | H16 | 121.3° | 118.1° |
| C16 | C11 | C12 | 119.0° | 120.2° |
| C16 | C11 | C2 | 112.7° | 119.9° |
| C11 | C12 | H12 | 119.6° | 120.0° |
| C12 | C11 | C2 | 128.3° | 119.8° |
| C11 | C2 | C1 | 122.7° | 121.8° |
| C11 | C2 | C3 | 119.1° | 122.7° |
| C1 | C2 | C3 | 118.0° | 115.5° |
| C2 | C1 | N6 | 118.9° | 123.8° |
| C2 | C1 | C9 | 122.6° | 121.0° |
| C2 | C3 | N4 | 118.5° | 123.8° |
| C2 | C3 | N7 | 122.2° | 118.7° |
| N6 | C1 | C9 | 118.5° | 115.2° |
| C1 | C9 | H91 | 109.0° | 110.2° |
| C1 | C9 | H92 | 108.7° | 110.3° |
| H91 | C9 | H92 | 110.6° | 105.4° |
| N4 | C3 | N7 | 119.2° | 117.5° |
| C3 | N7 | HN71 | 109.5° | 118.8° |
| C3 | N7 | HN72 | 109.5° | 118.8° |
| HN71 | N7 | HN72 | 109.4° | 122.1° |
| HN81 | N8 | HN82 | 109.5° | 121.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C5 | N6 | N4 | 179.1° | 179.9° |
| N8 | C5 | N6 | C1 | 179.9° | 180.0° |
| N8 | C5 | N4 | C3 | 179.8° | 180.0° |
| C5 | N8 | HN81 | HN82 | 120.0° | 173.7° |
| C5 | N6 | C1 | C2 | 1.7° | 0.1° |
| C5 | N6 | C1 | C9 | 179.6° | 179.9° |
| N6 | C5 | N4 | C3 | 0.7° | 0.1° |
| N6 | C5 | N8 | HN81 | 10.9° | 87.0° |
| N6 | C5 | N8 | HN82 | 130.9° | 99.2° |
| C5 | N4 | C3 | C2 | 1.0° | 0.0° |
| N4 | C5 | N6 | C1 | 1.0° | 0.1° |
| C5 | N4 | C3 | N7 | 179.7° | 180.0° |
| N4 | C5 | N8 | HN81 | 170.0° | 93.1° |
| N4 | C5 | N8 | HN82 | 50.0° | 80.8° |
| C9 | C10 | H101 | H102 | 120.0° | 121.5° |
| C9 | C10 | H101 | H103 | 120.0° | 121.9° |
| C9 | C10 | H102 | H103 | 120.0° | 121.8° |
| C10 | C9 | C1 | C2 | 98.5° | 90.0° |
| C10 | C9 | C1 | N6 | 82.9° | 90.0° |
| C10 | C9 | C1 | H91 | 120.0° | 121.9° |
| C10 | C9 | C1 | H92 | 119.4° | 122.1° |
| C10 | C9 | H91 | H92 | 119.4° | 117.3° |
| H101 | C10 | H102 | H103 | 120.0° | 116.4° |
| H101 | C10 | C9 | C1 | 107.1° | 60.1° |
| H101 | C10 | C9 | H91 | 132.9° | 177.4° |
| H101 | C10 | C9 | H92 | 12.3° | 62.5° |
| H102 | C10 | C9 | C1 | 132.9° | 179.9° |
| H102 | C10 | C9 | H91 | 12.9° | 57.4° |
| H102 | C10 | C9 | H92 | 107.7° | 57.5° |
| H103 | C10 | C9 | C1 | 12.9° | 59.9° |
| H103 | C10 | C9 | H91 | 107.1° | 62.6° |
| H103 | C10 | C9 | H92 | 132.2° | 177.5° |
| C12 | C13 | C14 | H13 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 0.1° | 1.4° |
| C13 | C12 | C11 | C16 | 0.9° | 0.4° |
| C12 | C13 | C14 | O17 | 179.8° | 178.9° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C2 | 179.0° | 179.4° |
| C13 | C14 | C15 | C16 | 0.4° | 1.0° |
| C13 | C14 | C15 | N20 | 179.2° | 176.3° |
| C13 | C14 | C15 | O17 | 179.9° | 177.4° |
| C13 | C14 | O17 | C18 | 166.7° | 153.6° |
| C14 | C13 | C12 | C11 | 0.6° | 0.7° |
| C14 | C13 | C12 | H12 | 179.4° | 179.5° |
| H13 | C13 | C14 | C15 | 179.9° | 179.0° |
| H13 | C13 | C14 | O17 | 0.2° | 1.4° |
| H13 | C13 | C12 | C11 | 179.4° | 179.7° |
| H13 | C13 | C12 | H12 | 0.6° | 0.2° |
| C16 | C15 | N20 | C14 | 178.8° | 177.2° |
| C16 | C15 | N20 | C22 | 4.6° | 8.0° |
| C16 | C15 | N20 | C19 | 175.2° | 174.7° |
| C15 | C16 | C11 | H16 | 180.0° | 179.8° |
| C16 | C15 | C14 | O17 | 179.6° | 178.4° |
| C15 | C16 | C11 | C12 | 0.6° | 0.7° |
| C15 | C16 | C11 | C2 | 179.0° | 179.0° |
| C15 | N20 | C22 | C23 | 85.2° | 89.0° |
| C15 | N20 | C22 | C19 | 170.9° | 177.3° |
| C15 | N20 | C22 | H221 | 34.9° | 150.0° |
| C15 | N20 | C22 | H222 | 154.2° | 33.8° |
| C15 | N20 | C19 | C18 | 2.5° | 13.7° |
| C15 | N20 | C19 | O21 | 179.6° | 170.7° |
| N20 | C15 | C16 | C11 | 179.0° | 177.2° |
| N20 | C15 | C16 | H16 | 1.0° | 2.6° |
| N20 | C15 | C14 | O17 | 0.7° | 1.1° |
| C14 | C15 | N20 | C22 | 176.6° | 169.2° |
| C15 | C14 | O17 | C18 | 13.4° | 29.0° |
| C14 | C15 | N20 | C19 | 6.0° | 8.1° |
| C14 | C15 | C16 | C11 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 179.8° |
| C23 | C22 | N20 | H221 | 120.0° | 121.0° |
| C23 | C22 | N20 | H222 | 120.7° | 122.8° |
| C23 | C22 | H221 | H222 | 120.7° | 121.6° |
| C22 | C23 | C24 | O25 | 154.4° | 179.2° |
| C22 | C23 | C24 | H231 | 120.0° | 121.5° |
| C22 | C23 | C24 | H232 | 119.8° | 123.3° |
| C22 | C23 | C24 | H241 | 85.7° | 60.0° |
| C22 | C23 | C24 | H242 | 35.0° | 61.5° |
| C23 | C22 | N20 | C19 | 103.9° | 93.8° |
| C22 | C23 | H231 | H232 | 119.8° | 118.9° |
| N20 | C22 | H221 | H222 | 120.7° | 115.9° |
| N20 | C22 | C23 | C24 | 158.9° | 179.2° |
| C22 | N20 | C19 | C18 | 168.6° | 169.0° |
| C22 | N20 | C19 | O21 | 8.5° | 6.6° |
| N20 | C22 | C23 | H231 | 81.0° | 57.9° |
| N20 | C22 | C23 | H232 | 39.1° | 58.1° |
| H221 | C22 | C23 | C24 | 38.9° | 60.0° |
| H221 | C22 | N20 | C19 | 136.0° | 27.3° |
| H221 | C22 | C23 | H231 | 159.0° | 61.3° |
| H221 | C22 | C23 | H232 | 80.9° | 177.3° |
| H222 | C22 | C23 | C24 | 80.4° | 59.9° |
| H222 | C22 | N20 | C19 | 16.7° | 143.4° |
| H222 | C22 | C23 | H231 | 39.6° | 178.8° |
| H222 | C22 | C23 | H232 | 159.8° | 62.9° |
| O25 | C24 | C23 | H241 | 120.0° | 119.2° |
| O25 | C24 | C23 | H242 | 119.4° | 119.3° |
| O25 | C24 | H241 | H242 | 119.4° | 117.9° |
| C24 | O25 | C26 | H261 | 159.5° | 136.6° |
| C24 | O25 | C26 | H262 | 80.5° | 102.6° |
| C24 | O25 | C26 | H263 | 39.6° | 17.0° |
| O25 | C24 | C23 | H231 | 34.4° | 59.3° |
| O25 | C24 | C23 | H232 | 85.8° | 55.9° |
| C23 | C24 | H241 | H242 | 119.4° | 122.6° |
| C23 | C24 | O25 | C26 | 178.5° | 178.9° |
| C24 | C23 | H231 | H232 | 119.8° | 117.5° |
| H241 | C24 | O25 | C26 | 61.5° | 60.0° |
| H241 | C24 | C23 | H231 | 154.4° | 178.5° |
| H241 | C24 | C23 | H232 | 34.2° | 63.3° |
| H242 | C24 | O25 | C26 | 59.1° | 58.2° |
| H242 | C24 | C23 | H231 | 85.0° | 60.0° |
| H242 | C24 | C23 | H232 | 154.8° | 175.2° |
| O25 | C26 | H261 | H262 | 120.0° | 120.4° |
| O25 | C26 | H261 | H263 | 120.0° | 119.4° |
| O25 | C26 | H262 | H263 | 120.0° | 119.4° |
| H261 | C26 | H262 | H263 | 120.0° | 120.2° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C32 | C31 | 0.8° | 0.0° |
| C28 | C27 | C32 | C18 | 178.6° | 179.9° |
| C28 | C27 | C32 | H32 | 179.2° | 179.9° |
| C27 | C28 | C29 | C30 | 0.7° | 0.0° |
| C27 | C28 | C29 | F33 | 179.6° | 180.0° |
| C28 | C27 | C18 | C19 | 97.6° | 30.0° |
| C28 | C27 | C18 | O17 | 24.1° | 156.1° |
| C28 | C27 | C18 | C35 | 143.2° | 89.5° |
| C28 | C29 | C30 | C31 | 0.4° | 0.1° |
| C29 | C28 | C27 | C32 | 0.9° | 0.0° |
| C28 | C29 | C30 | F33 | 179.8° | 180.0° |
| C28 | C29 | C30 | H30 | 179.6° | 180.0° |
| C29 | C28 | C27 | C18 | 179.4° | 179.9° |
| H28 | C28 | C27 | C32 | 179.2° | 180.0° |
| H28 | C28 | C29 | C30 | 179.3° | 180.0° |
| H28 | C28 | C29 | F33 | 0.4° | 0.0° |
| H28 | C28 | C27 | C18 | 0.6° | 0.1° |
| F34 | C31 | C32 | C30 | 179.7° | 179.9° |
| F34 | C31 | C32 | C27 | 179.7° | 179.9° |
| F34 | C31 | C32 | H32 | 0.3° | 0.1° |
| F34 | C31 | C30 | C29 | 179.9° | 179.9° |
| F34 | C31 | C30 | H30 | 0.1° | 0.2° |
| C31 | C32 | C27 | H32 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 0.4° | 0.1° |
| C32 | C31 | C30 | H30 | 179.6° | 180.0° |
| C31 | C32 | C27 | C18 | 179.3° | 179.9° |
| C30 | C31 | C32 | C27 | 0.5° | 0.0° |
| C30 | C31 | C32 | H32 | 179.5° | 179.9° |
| C31 | C30 | C29 | H30 | 180.0° | 179.9° |
| C31 | C30 | C29 | F33 | 179.8° | 180.0° |
| C32 | C27 | C18 | C19 | 80.9° | 149.9° |
| C32 | C27 | C18 | O17 | 157.4° | 23.8° |
| C32 | C27 | C18 | C35 | 38.2° | 90.6° |
| H32 | C32 | C27 | C18 | 0.6° | 0.0° |
| H30 | C30 | C29 | F33 | 0.2° | 0.0° |
| C27 | C18 | C19 | O17 | 120.3° | 125.6° |
| C27 | C18 | C19 | C35 | 120.3° | 119.1° |
| C27 | C18 | O17 | C35 | 121.5° | 116.0° |
| C27 | C18 | C35 | H351 | 22.9° | 6.3° |
| C27 | C18 | C35 | H352 | 97.0° | 113.8° |
| C27 | C18 | C35 | H353 | 142.9° | 126.2° |
| C27 | C18 | C19 | N20 | 105.5° | 83.7° |
| C27 | C18 | C19 | O21 | 71.7° | 92.0° |
| C27 | C18 | O17 | C14 | 98.0° | 78.0° |
| C19 | C18 | O17 | C35 | 120.7° | 117.1° |
| C19 | C18 | C35 | H351 | 139.8° | 128.8° |
| C19 | C18 | C35 | H352 | 19.9° | 8.8° |
| C19 | C18 | C35 | H353 | 100.2° | 111.2° |
| C18 | C19 | N20 | O21 | 177.2° | 175.6° |
| C19 | C18 | O17 | C14 | 19.8° | 49.0° |
| O17 | C18 | C35 | H351 | 97.8° | 111.8° |
| O17 | C18 | C35 | H352 | 142.2° | 128.2° |
| O17 | C18 | C35 | H353 | 22.2° | 8.2° |
| O17 | C18 | C19 | N20 | 14.7° | 41.9° |
| O17 | C18 | C19 | O21 | 168.0° | 142.4° |
| C18 | C35 | H351 | H352 | 120.0° | 121.4° |
| C18 | C35 | H351 | H353 | 120.0° | 121.3° |
| C18 | C35 | H352 | H353 | 120.0° | 121.4° |
| C35 | C18 | C19 | N20 | 134.2° | 157.2° |
| C35 | C18 | C19 | O21 | 48.6° | 27.1° |
| C35 | C18 | O17 | C14 | 140.5° | 166.1° |
| H351 | C35 | H352 | H353 | 120.0° | 117.3° |
| C16 | C11 | C12 | C2 | 178.2° | 179.8° |
| C16 | C11 | C12 | H12 | 179.1° | 179.5° |
| C16 | C11 | C2 | C1 | 92.5° | 89.7° |
| C16 | C11 | C2 | C3 | 83.4° | 90.3° |
| H16 | C16 | C11 | C12 | 179.5° | 179.1° |
| H16 | C16 | C11 | C2 | 1.0° | 1.1° |
| C12 | C11 | C2 | C1 | 89.2° | 90.0° |
| C12 | C11 | C2 | C3 | 94.8° | 90.0° |
| H12 | C12 | C11 | C2 | 1.0° | 0.8° |
| C11 | C2 | C1 | C3 | 176.0° | 180.0° |
| C11 | C2 | C1 | N6 | 177.9° | 179.9° |
| C11 | C2 | C1 | C9 | 3.4° | 0.1° |
| C11 | C2 | C3 | N4 | 177.8° | 179.9° |
| C11 | C2 | C3 | N7 | 2.9° | 0.0° |
| C2 | C1 | N6 | C9 | 178.7° | 180.0° |
| C2 | C1 | C9 | H91 | 21.5° | 31.9° |
| C2 | C1 | C9 | H92 | 142.1° | 148.0° |
| C1 | C2 | C3 | N4 | 1.6° | 0.1° |
| C1 | C2 | C3 | N7 | 179.0° | 180.0° |
| C3 | C2 | C1 | N6 | 2.0° | 0.1° |
| C3 | C2 | C1 | C9 | 179.4° | 179.9° |
| C2 | C3 | N4 | N7 | 179.3° | 179.9° |
| C2 | C3 | N7 | HN71 | 80.7° | 148.9° |
| C2 | C3 | N7 | HN72 | 39.3° | 24.8° |
| N6 | C1 | C9 | H91 | 157.1° | 148.1° |
| N6 | C1 | C9 | H92 | 36.5° | 32.1° |
| C1 | C9 | H91 | H92 | 119.4° | 119.0° |
| N4 | C3 | N7 | HN71 | 100.0° | 31.2° |
| N4 | C3 | N7 | HN72 | 140.0° | 155.1° |
| C3 | N7 | HN71 | HN72 | 120.0° | 173.5° |
