MR9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | sing | 1.52Å | 1.53Å | |
| C26 | N6 | sing | 1.47Å | 1.48Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C27 | O3 | sing | 1.43Å | 1.45Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| O3 | C28 | sing | 1.43Å | 1.48Å | |
| C28 | C29 | sing | 1.52Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C29 | N6 | sing | 1.47Å | 1.47Å | |
| C29 | H291 | sing | 1.10Å | 1.10Å | |
| C29 | H292 | sing | 1.10Å | 1.10Å | |
| N6 | C20 | sing | 1.40Å | 1.34Å | |
| C20 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.41Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.49Å | 1.53Å | |
| C25 | F1 | sing | 1.36Å | 1.33Å | |
| C25 | F2 | sing | 1.37Å | 1.31Å | |
| C25 | F3 | sing | 1.37Å | 1.31Å | |
| C24 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C19 | N4 | sing | 1.40Å | 1.35Å | |
| N4 | C17 | sing | 1.41Å | 1.34Å | |
| N4 | HN4 | sing | 1.03Å | 1.00Å | |
| C17 | O2 | doub | 1.23Å | 1.23Å | |
| C17 | C12 | sing | 1.47Å | 1.54Å | |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.49Å | 1.54Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C16 | H163 | sing | 1.10Å | 1.10Å | |
| C10 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C9 | sing | 1.38Å | 1.36Å | |
| C9 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | C8 | doub | 1.35Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C5 | C2 | sing | 1.45Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | C1 | doub | 1.35Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | N2 | doub | 1.35Å | 1.32Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | C1 | sing | 1.35Å | 1.34Å | Aromatic |
| C1 | N5 | sing | 1.41Å | 1.33Å | |
| N5 | C18 | sing | 1.43Å | 1.47Å | |
| N5 | HN5 | sing | 1.00Å | 1.00Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | N6 | 107.5° | 109.7° |
| C27 | C26 | H261 | 110.1° | 110.0° |
| C27 | C26 | H262 | 110.5° | 109.4° |
| C26 | C27 | O3 | 110.6° | 110.5° |
| C26 | C27 | H271 | 109.1° | 111.3° |
| C26 | C27 | H272 | 108.9° | 109.9° |
| N6 | C26 | H261 | 110.1° | 108.7° |
| N6 | C26 | H262 | 110.6° | 110.8° |
| C26 | N6 | C29 | 108.8° | 115.2° |
| C26 | N6 | C20 | 110.4° | 118.2° |
| H261 | C26 | H262 | 108.0° | 108.2° |
| O3 | C27 | H271 | 109.1° | 109.4° |
| O3 | C27 | H272 | 108.9° | 108.0° |
| C27 | O3 | C28 | 113.5° | 110.6° |
| H271 | C27 | H272 | 110.3° | 107.7° |
| O3 | C28 | C29 | 115.1° | 110.5° |
| O3 | C28 | H281 | 107.6° | 107.9° |
| O3 | C28 | H282 | 106.4° | 109.4° |
| C29 | C28 | H281 | 107.6° | 109.9° |
| C29 | C28 | H282 | 106.3° | 111.4° |
| C28 | C29 | N6 | 106.1° | 109.7° |
| C28 | C29 | H291 | 110.6° | 109.4° |
| C28 | C29 | H292 | 111.4° | 110.0° |
| H281 | C28 | H282 | 114.0° | 107.6° |
| N6 | C29 | H291 | 110.6° | 110.7° |
| N6 | C29 | H292 | 111.3° | 108.8° |
| C29 | N6 | C20 | 114.6° | 119.9° |
| H291 | C29 | H292 | 106.9° | 108.2° |
| N6 | C20 | C19 | 118.4° | 122.1° |
| N6 | C20 | C21 | 121.6° | 120.1° |
| C19 | C20 | C21 | 120.0° | 117.8° |
| C20 | C19 | C24 | 119.5° | 121.0° |
| C20 | C19 | N4 | 119.4° | 119.9° |
| C20 | C21 | C22 | 119.5° | 121.1° |
| C20 | C21 | H21 | 120.2° | 119.5° |
| C22 | C21 | H21 | 120.2° | 119.4° |
| C21 | C22 | C23 | 120.6° | 120.1° |
| C21 | C22 | H22 | 119.7° | 119.4° |
| C23 | C22 | H22 | 119.7° | 120.5° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C22 | C23 | C25 | 119.2° | 120.0° |
| C24 | C23 | C25 | 120.6° | 120.0° |
| C23 | C24 | C19 | 120.2° | 120.1° |
| C23 | C24 | H24 | 119.9° | 119.8° |
| C23 | C25 | F1 | 113.8° | 112.6° |
| C23 | C25 | F2 | 106.7° | 113.6° |
| C23 | C25 | F3 | 111.0° | 113.5° |
| F1 | C25 | F2 | 107.4° | 105.6° |
| F1 | C25 | F3 | 110.0° | 105.5° |
| F2 | C25 | F3 | 107.7° | 105.1° |
| C19 | C24 | H24 | 119.9° | 120.1° |
| C24 | C19 | N4 | 120.9° | 119.0° |
| C19 | N4 | C17 | 128.1° | 128.4° |
| C19 | N4 | HN4 | 116.0° | 115.9° |
| C17 | N4 | HN4 | 116.0° | 115.8° |
| N4 | C17 | O2 | 124.6° | 124.0° |
| N4 | C17 | C12 | 115.4° | 115.0° |
| O2 | C17 | C12 | 119.9° | 121.0° |
| C17 | C12 | C11 | 118.6° | 119.4° |
| C17 | C12 | C13 | 122.3° | 119.3° |
| C11 | C12 | C13 | 119.0° | 121.3° |
| C12 | C11 | C10 | 120.5° | 119.4° |
| C12 | C11 | H11 | 119.7° | 120.8° |
| C12 | C13 | C14 | 120.3° | 119.3° |
| C12 | C13 | H13 | 119.8° | 121.3° |
| C10 | C11 | H11 | 119.8° | 119.8° |
| C11 | C10 | C15 | 120.2° | 120.0° |
| C11 | C10 | O1 | 118.7° | 119.2° |
| C14 | C13 | H13 | 119.8° | 119.4° |
| C13 | C14 | C15 | 120.4° | 120.0° |
| C13 | C14 | H14 | 119.8° | 119.5° |
| C15 | C14 | H14 | 119.8° | 120.5° |
| C14 | C15 | C10 | 119.5° | 120.0° |
| C14 | C15 | C16 | 119.9° | 119.3° |
| C10 | C15 | C16 | 120.6° | 120.7° |
| C15 | C10 | O1 | 121.0° | 120.8° |
| C15 | C16 | H161 | 109.5° | 110.3° |
| C15 | C16 | H162 | 109.5° | 111.2° |
| C15 | C16 | H163 | 109.5° | 111.2° |
| H161 | C16 | H162 | 109.5° | 108.6° |
| H161 | C16 | H163 | 109.4° | 108.6° |
| H162 | C16 | H163 | 109.4° | 106.9° |
| C10 | O1 | C9 | 121.2° | 117.7° |
| O1 | C9 | C5 | 118.5° | 119.6° |
| O1 | C9 | N3 | 121.1° | 115.4° |
| C5 | C9 | N3 | 120.4° | 125.0° |
| C9 | C5 | C6 | 118.2° | 117.5° |
| C9 | C5 | C2 | 122.3° | 122.5° |
| C9 | N3 | C8 | 122.5° | 115.9° |
| N3 | C8 | C7 | 119.9° | 124.1° |
| N3 | C8 | H8 | 120.0° | 115.2° |
| C7 | C8 | H8 | 120.0° | 120.7° |
| C8 | C7 | C6 | 118.8° | 117.9° |
| C8 | C7 | H7 | 120.6° | 121.1° |
| C6 | C7 | H7 | 120.6° | 121.0° |
| C7 | C6 | C5 | 120.1° | 119.7° |
| C7 | C6 | H6 | 119.9° | 119.3° |
| C5 | C6 | H6 | 120.0° | 121.0° |
| C6 | C5 | C2 | 119.5° | 120.1° |
| C5 | C2 | N1 | 119.0° | 115.0° |
| C5 | C2 | C3 | 122.8° | 121.0° |
| N1 | C2 | C3 | 118.2° | 124.0° |
| C2 | N1 | C1 | 121.4° | 114.9° |
| C2 | C3 | C4 | 119.0° | 115.5° |
| C2 | C3 | H3 | 120.5° | 123.0° |
| N1 | C1 | N2 | 120.4° | 126.9° |
| N1 | C1 | N5 | 119.4° | 116.5° |
| C4 | C3 | H3 | 120.5° | 121.4° |
| C3 | C4 | N2 | 119.3° | 123.8° |
| C3 | C4 | H4 | 120.4° | 120.9° |
| N2 | C4 | H4 | 120.4° | 115.3° |
| C4 | N2 | C1 | 121.8° | 115.0° |
| N2 | C1 | N5 | 120.2° | 116.6° |
| C1 | N5 | C18 | 119.6° | 122.8° |
| C1 | N5 | HN5 | 120.2° | 116.8° |
| C18 | N5 | HN5 | 120.2° | 120.3° |
| N5 | C18 | H181 | 109.5° | 110.2° |
| N5 | C18 | H182 | 109.5° | 110.2° |
| N5 | C18 | H183 | 109.5° | 110.2° |
| H181 | C18 | H182 | 109.5° | 108.8° |
| H181 | C18 | H183 | 109.4° | 108.8° |
| H182 | C18 | H183 | 109.5° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | N6 | H261 | 120.0° | 120.3° |
| C27 | C26 | N6 | H262 | 120.7° | 120.9° |
| C27 | C26 | H261 | H262 | 120.8° | 119.4° |
| C26 | C27 | O3 | H271 | 120.0° | 122.9° |
| C26 | C27 | O3 | H272 | 119.5° | 120.2° |
| C26 | C27 | H271 | H272 | 119.5° | 120.5° |
| C26 | C27 | O3 | C28 | 48.7° | 62.7° |
| C27 | C26 | N6 | C29 | 69.6° | 49.4° |
| C27 | C26 | N6 | C20 | 163.8° | 159.3° |
| N6 | C26 | H261 | H262 | 120.8° | 120.4° |
| N6 | C26 | C27 | O3 | 60.2° | 54.5° |
| N6 | C26 | C27 | H271 | 59.8° | 67.3° |
| N6 | C26 | C27 | H272 | 179.8° | 173.5° |
| C26 | N6 | C29 | C28 | 63.8° | 49.4° |
| C26 | N6 | C29 | C20 | 124.1° | 150.8° |
| C26 | N6 | C29 | H291 | 176.2° | 170.1° |
| C26 | N6 | C29 | H292 | 57.5° | 71.1° |
| C26 | N6 | C20 | C19 | 97.8° | 89.9° |
| C26 | N6 | C20 | C21 | 80.4° | 90.0° |
| H261 | C26 | C27 | O3 | 59.8° | 65.1° |
| H261 | C26 | C27 | H271 | 179.8° | 173.2° |
| H261 | C26 | C27 | H272 | 59.7° | 54.0° |
| H261 | C26 | N6 | C29 | 50.4° | 70.9° |
| H261 | C26 | N6 | C20 | 76.2° | 80.4° |
| H262 | C26 | C27 | O3 | 179.0° | 176.2° |
| H262 | C26 | C27 | H271 | 61.0° | 54.4° |
| H262 | C26 | C27 | H272 | 59.5° | 64.7° |
| H262 | C26 | N6 | C29 | 169.7° | 170.3° |
| H262 | C26 | N6 | C20 | 43.1° | 38.4° |
| O3 | C27 | H271 | H272 | 119.6° | 117.1° |
| C27 | O3 | C28 | C29 | 46.3° | 62.7° |
| C27 | O3 | C28 | H281 | 73.6° | 177.1° |
| C27 | O3 | C28 | H282 | 163.8° | 60.3° |
| H271 | C27 | O3 | C28 | 71.3° | 60.2° |
| H272 | C27 | O3 | C28 | 168.3° | 177.1° |
| O3 | C28 | C29 | H281 | 120.0° | 119.0° |
| O3 | C28 | C29 | H282 | 117.5° | 121.8° |
| O3 | C28 | H281 | H282 | 117.7° | 117.9° |
| O3 | C28 | C29 | N6 | 52.2° | 54.4° |
| O3 | C28 | C29 | H291 | 172.1° | 176.0° |
| O3 | C28 | C29 | H292 | 69.1° | 65.2° |
| C29 | C28 | H281 | H282 | 117.7° | 121.4° |
| C28 | C29 | N6 | H291 | 120.0° | 120.8° |
| C28 | C29 | N6 | H292 | 121.3° | 120.4° |
| C28 | C29 | H291 | H292 | 121.4° | 119.9° |
| C28 | C29 | N6 | C20 | 172.2° | 159.9° |
| H281 | C28 | C29 | N6 | 67.8° | 173.4° |
| H281 | C28 | C29 | H291 | 52.2° | 64.9° |
| H281 | C28 | C29 | H292 | 170.9° | 53.8° |
| H282 | C28 | C29 | N6 | 169.6° | 67.4° |
| H282 | C28 | C29 | H291 | 70.4° | 54.2° |
| H282 | C28 | C29 | H292 | 48.4° | 172.9° |
| N6 | C29 | H291 | H292 | 121.4° | 119.1° |
| C29 | N6 | C20 | C19 | 138.9° | 120.2° |
| C29 | N6 | C20 | C21 | 42.8° | 60.0° |
| H291 | C29 | N6 | C20 | 52.2° | 39.1° |
| H292 | C29 | N6 | C20 | 66.6° | 79.7° |
| N6 | C20 | C19 | C21 | 178.3° | 179.9° |
| N6 | C20 | C21 | C22 | 179.3° | 179.9° |
| N6 | C20 | C21 | H21 | 0.7° | 0.1° |
| N6 | C20 | C19 | C24 | 179.7° | 180.0° |
| N6 | C20 | C19 | N4 | 4.5° | 0.2° |
| C19 | C20 | C21 | C22 | 1.1° | 0.1° |
| C19 | C20 | C21 | H21 | 178.9° | 179.9° |
| C20 | C19 | C24 | C23 | 1.3° | 0.1° |
| C20 | C19 | C24 | N4 | 175.2° | 179.9° |
| C20 | C19 | C24 | H24 | 178.7° | 179.9° |
| C20 | C19 | N4 | C17 | 155.1° | 180.0° |
| C20 | C19 | N4 | HN4 | 24.9° | 0.2° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C21 | C22 | H22 | 179.4° | 180.0° |
| C21 | C20 | C19 | C24 | 2.0° | 0.1° |
| C21 | C20 | C19 | N4 | 177.3° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.3° | 0.0° |
| C21 | C22 | C23 | C25 | 178.7° | 180.0° |
| H21 | C21 | C22 | C23 | 179.4° | 180.0° |
| H21 | C21 | C22 | H22 | 0.6° | 0.0° |
| C22 | C23 | C24 | C25 | 177.3° | 180.0° |
| C22 | C23 | C25 | F1 | 169.5° | 120.0° |
| C22 | C23 | C25 | F2 | 72.2° | 0.1° |
| C22 | C23 | C25 | F3 | 44.8° | 120.1° |
| C22 | C23 | C24 | C19 | 0.4° | 0.0° |
| C22 | C23 | C24 | H24 | 179.6° | 180.0° |
| H22 | C22 | C23 | C24 | 178.7° | 180.0° |
| H22 | C22 | C23 | C25 | 1.3° | 0.1° |
| C24 | C23 | C25 | F1 | 13.1° | 60.0° |
| C24 | C23 | C25 | F2 | 105.2° | 180.0° |
| C24 | C23 | C25 | F3 | 137.8° | 59.9° |
| C23 | C24 | C19 | H24 | 180.0° | 180.0° |
| C23 | C24 | C19 | N4 | 176.5° | 180.0° |
| C23 | C25 | F1 | F2 | 117.9° | 124.6° |
| C23 | C25 | F1 | F3 | 125.3° | 124.4° |
| C23 | C25 | F2 | F3 | 119.2° | 124.7° |
| C25 | C23 | C24 | C19 | 177.7° | 180.0° |
| C25 | C23 | C24 | H24 | 2.3° | 0.0° |
| F1 | C25 | F2 | F3 | 118.4° | 111.3° |
| C24 | C19 | N4 | C17 | 29.7° | 0.1° |
| C24 | C19 | N4 | HN4 | 150.3° | 180.0° |
| H24 | C24 | C19 | N4 | 3.5° | 0.0° |
| C19 | N4 | C17 | HN4 | 180.0° | 179.8° |
| C19 | N4 | C17 | O2 | 0.7° | 0.1° |
| C19 | N4 | C17 | C12 | 176.0° | 178.2° |
| N4 | C17 | O2 | C12 | 176.6° | 178.0° |
| N4 | C17 | C12 | C11 | 173.8° | 27.0° |
| N4 | C17 | C12 | C13 | 2.1° | 153.1° |
| HN4 | N4 | C17 | O2 | 179.2° | 179.9° |
| HN4 | N4 | C17 | C12 | 4.0° | 1.9° |
| O2 | C17 | C12 | C11 | 3.2° | 151.2° |
| O2 | C17 | C12 | C13 | 179.0° | 28.7° |
| C17 | C12 | C11 | C13 | 176.0° | 179.9° |
| C17 | C12 | C11 | C10 | 179.0° | 179.9° |
| C17 | C12 | C11 | H11 | 1.0° | 0.1° |
| C17 | C12 | C13 | C14 | 178.2° | 179.9° |
| C17 | C12 | C13 | H13 | 1.8° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 2.3° | 0.0° |
| C11 | C12 | C13 | H13 | 177.7° | 180.0° |
| C12 | C11 | C10 | C15 | 2.6° | 0.0° |
| C12 | C11 | C10 | O1 | 179.4° | 179.9° |
| C13 | C12 | C11 | C10 | 3.0° | 0.0° |
| C13 | C12 | C11 | H11 | 177.0° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.2° | 0.0° |
| C12 | C13 | C14 | H14 | 178.8° | 180.0° |
| C11 | C10 | C15 | C14 | 1.4° | 0.0° |
| C11 | C10 | C15 | O1 | 178.0° | 179.9° |
| C11 | C10 | C15 | C16 | 179.4° | 180.0° |
| C11 | C10 | O1 | C9 | 95.4° | 59.9° |
| H11 | C11 | C10 | C15 | 177.4° | 179.9° |
| H11 | C11 | C10 | O1 | 0.6° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.8° | 0.0° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| H13 | C13 | C14 | C15 | 178.8° | 180.0° |
| H13 | C13 | C14 | H14 | 1.2° | 0.0° |
| C14 | C15 | C10 | C16 | 179.2° | 180.0° |
| C14 | C15 | C16 | H161 | 161.2° | 177.0° |
| C14 | C15 | C16 | H162 | 41.2° | 62.5° |
| C14 | C15 | C16 | H163 | 78.8° | 56.5° |
| C14 | C15 | C10 | O1 | 179.4° | 179.9° |
| H14 | C14 | C15 | C10 | 179.2° | 179.9° |
| H14 | C14 | C15 | C16 | 0.0° | 0.0° |
| C10 | C15 | C16 | H161 | 18.0° | 3.0° |
| C10 | C15 | C16 | H162 | 138.1° | 117.5° |
| C10 | C15 | C16 | H163 | 102.0° | 123.5° |
| C15 | C10 | O1 | C9 | 86.5° | 119.9° |
| C15 | C16 | H161 | H162 | 120.0° | 122.1° |
| C15 | C16 | H161 | H163 | 120.0° | 122.1° |
| C15 | C16 | H162 | H163 | 120.0° | 121.5° |
| C16 | C15 | C10 | O1 | 1.4° | 0.1° |
| H161 | C16 | H162 | H163 | 120.0° | 116.9° |
| C10 | O1 | C9 | C5 | 167.9° | 135.0° |
| C10 | O1 | C9 | N3 | 12.0° | 45.0° |
| O1 | C9 | C5 | N3 | 179.9° | 180.0° |
| O1 | C9 | N3 | C8 | 179.8° | 180.0° |
| O1 | C9 | C5 | C6 | 179.4° | 180.0° |
| O1 | C9 | C5 | C2 | 1.6° | 0.0° |
| C5 | C9 | N3 | C8 | 0.3° | 0.0° |
| C9 | C5 | C6 | C7 | 0.9° | 0.0° |
| C9 | C5 | C6 | C2 | 177.9° | 180.0° |
| C9 | C5 | C6 | H6 | 179.0° | 180.0° |
| C9 | C5 | C2 | N1 | 176.7° | 90.0° |
| C9 | C5 | C2 | C3 | 1.0° | 90.0° |
| C9 | N3 | C8 | C7 | 0.1° | 0.0° |
| C9 | N3 | C8 | H8 | 179.8° | 180.0° |
| N3 | C9 | C5 | C6 | 0.7° | 0.0° |
| N3 | C9 | C5 | C2 | 178.5° | 180.0° |
| N3 | C8 | C7 | H8 | 180.0° | 180.0° |
| N3 | C8 | C7 | C6 | 0.4° | 0.0° |
| N3 | C8 | C7 | H7 | 179.6° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.8° | 0.1° |
| C8 | C7 | C6 | H6 | 179.2° | 180.0° |
| H8 | C8 | C7 | C6 | 179.6° | 180.0° |
| H8 | C8 | C7 | H7 | 0.4° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C2 | 178.8° | 179.9° |
| H7 | C7 | C6 | C5 | 179.2° | 180.0° |
| H7 | C7 | C6 | H6 | 0.8° | 0.1° |
| C6 | C5 | C2 | N1 | 1.1° | 90.0° |
| C6 | C5 | C2 | C3 | 178.8° | 90.0° |
| H6 | C6 | C5 | C2 | 1.1° | 0.0° |
| C5 | C2 | N1 | C3 | 177.8° | 180.0° |
| C5 | C2 | N1 | C1 | 178.1° | 180.0° |
| C5 | C2 | C3 | C4 | 178.5° | 180.0° |
| C5 | C2 | C3 | H3 | 1.5° | 0.1° |
| N1 | C2 | C3 | C4 | 0.8° | 0.0° |
| N1 | C2 | C3 | H3 | 179.2° | 179.9° |
| C2 | N1 | C1 | N2 | 0.1° | 0.0° |
| C2 | N1 | C1 | N5 | 179.1° | 180.0° |
| C3 | C2 | N1 | C1 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | N2 | 0.9° | 0.0° |
| C2 | C3 | C4 | H4 | 179.2° | 180.0° |
| N1 | C1 | N2 | C4 | 0.1° | 0.0° |
| N1 | C1 | N2 | N5 | 179.0° | 180.0° |
| N1 | C1 | N5 | C18 | 4.1° | 0.1° |
| N1 | C1 | N5 | HN5 | 175.9° | 180.0° |
| C3 | C4 | N2 | H4 | 180.0° | 180.0° |
| C3 | C4 | N2 | C1 | 0.4° | 0.0° |
| H3 | C3 | C4 | N2 | 179.2° | 179.9° |
| H3 | C3 | C4 | H4 | 0.8° | 0.1° |
| C4 | N2 | C1 | N5 | 179.0° | 180.0° |
| H4 | C4 | N2 | C1 | 179.6° | 180.0° |
| N2 | C1 | N5 | C18 | 174.9° | 179.9° |
| N2 | C1 | N5 | HN5 | 5.1° | 0.0° |
| C1 | N5 | C18 | HN5 | 180.0° | 179.9° |
| C1 | N5 | C18 | H181 | 172.6° | 0.3° |
| C1 | N5 | C18 | H182 | 52.6° | 120.4° |
| C1 | N5 | C18 | H183 | 67.4° | 119.7° |
| N5 | C18 | H181 | H182 | 120.0° | 121.0° |
| N5 | C18 | H181 | H183 | 120.0° | 120.9° |
| N5 | C18 | H182 | H183 | 120.0° | 120.8° |
| HN5 | N5 | C18 | H181 | 7.4° | 179.5° |
| HN5 | N5 | C18 | H182 | 127.5° | 59.4° |
| HN5 | N5 | C18 | H183 | 112.5° | 60.5° |
| H181 | C18 | H182 | H183 | 120.0° | 118.3° |
