DI2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| B1 | C | sing | 1.57Å | 1.58Å | |
| B1 | O | sing | 1.42Å | 1.44Å | |
| B1 | O1 | sing | 1.42Å | 1.41Å | |
| C | C2 | sing | 1.53Å | 1.53Å | |
| C | N | sing | 1.46Å | 1.52Å | |
| C | H | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21A | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.45Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | N1 | sing | 1.47Å | 1.41Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.51Å | 1.56Å | |
| C6 | C8 | sing | 1.54Å | 1.54Å | |
| C6 | N2 | sing | 1.47Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | N | sing | 1.35Å | 1.35Å | |
| C7 | O2 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C13 | sing | 1.51Å | 1.56Å | |
| C11 | N2 | sing | 1.35Å | 1.36Å | |
| C11 | O3 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| C12 | C20 | sing | 1.51Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | N3 | sing | 1.46Å | 1.49Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | N3 | sing | 1.35Å | 1.35Å | |
| C14 | O4 | doub | 1.21Å | 1.25Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | B1 | O | 108.5° | 120.0° |
| C | B1 | O1 | 117.8° | 120.0° |
| B1 | C | C2 | 106.5° | 109.4° |
| B1 | C | N | 111.3° | 109.5° |
| B1 | C | H | 110.9° | 109.5° |
| O | B1 | O1 | 107.4° | 120.0° |
| B1 | O | HO | 108.6° | 106.8° |
| B1 | O1 | HO1 | 117.8° | 106.8° |
| C2 | C | N | 111.4° | 109.5° |
| C2 | C | H | 110.8° | 109.5° |
| C | C2 | C3 | 120.6° | 109.5° |
| C | C2 | H21A | 108.2° | 109.4° |
| C | C2 | H22 | 108.2° | 109.5° |
| N | C | H | 106.1° | 109.5° |
| C | N | C7 | 120.2° | 120.0° |
| C | N | HN | 125.4° | 120.0° |
| C3 | C2 | H21A | 108.3° | 109.5° |
| C3 | C2 | H22 | 108.3° | 109.5° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C2 | C3 | H31 | 110.9° | 109.4° |
| C2 | C3 | H32 | 110.9° | 109.5° |
| H21A | C2 | H22 | 101.6° | 109.5° |
| C4 | C3 | H31 | 111.0° | 109.5° |
| C4 | C3 | H32 | 111.0° | 109.5° |
| C3 | C4 | C5 | 111.5° | 109.5° |
| C3 | C4 | H41 | 111.5° | 109.4° |
| C3 | C4 | H42 | 111.5° | 109.5° |
| H31 | C3 | H32 | 99.4° | 109.5° |
| C5 | C4 | H41 | 111.4° | 109.5° |
| C5 | C4 | H42 | 111.5° | 109.5° |
| C4 | C5 | N1 | 127.9° | 109.5° |
| C4 | C5 | H51 | 105.7° | 109.4° |
| C4 | C5 | H52 | 105.7° | 109.5° |
| H41 | C4 | H42 | 98.9° | 109.5° |
| N1 | C5 | H51 | 105.7° | 109.5° |
| N1 | C5 | H52 | 105.8° | 109.5° |
| C5 | N1 | HN11 | 127.9° | 106.8° |
| C5 | N1 | HN12 | 105.7° | 106.7° |
| H51 | C5 | H52 | 103.6° | 109.4° |
| C7 | C6 | C8 | 111.5° | 109.9° |
| C7 | C6 | N2 | 112.1° | 110.3° |
| C7 | C6 | H6 | 104.4° | 109.9° |
| C6 | C7 | N | 116.9° | 120.0° |
| C6 | C7 | O2 | 117.7° | 120.0° |
| C8 | C6 | N2 | 103.2° | 107.3° |
| C8 | C6 | H6 | 113.2° | 109.8° |
| C6 | C8 | C9 | 107.3° | 103.0° |
| C6 | C8 | H81 | 113.0° | 110.9° |
| C6 | C8 | H82 | 113.0° | 110.5° |
| N2 | C6 | H6 | 112.6° | 109.6° |
| C6 | N2 | C10 | 112.7° | 108.7° |
| C6 | N2 | C11 | 121.0° | 125.7° |
| N | C7 | O2 | 125.3° | 120.0° |
| C7 | N | HN | 114.3° | 120.0° |
| C9 | C8 | H81 | 113.0° | 110.7° |
| C9 | C8 | H82 | 113.1° | 110.7° |
| C8 | C9 | C10 | 106.9° | 101.6° |
| C8 | C9 | H91 | 113.1° | 111.0° |
| C8 | C9 | H92 | 113.1° | 111.0° |
| H81 | C8 | H82 | 97.4° | 110.7° |
| C10 | C9 | H91 | 113.2° | 111.0° |
| C10 | C9 | H92 | 113.2° | 111.0° |
| C9 | C10 | N2 | 106.1° | 104.8° |
| C9 | C10 | H101 | 113.5° | 110.4° |
| C9 | C10 | H102 | 113.4° | 110.4° |
| H91 | C9 | H92 | 97.4° | 110.9° |
| N2 | C10 | H101 | 113.5° | 110.3° |
| N2 | C10 | H102 | 113.5° | 110.4° |
| C10 | N2 | C11 | 126.2° | 125.6° |
| H101 | C10 | H102 | 97.1° | 110.5° |
| C13 | C11 | N2 | 123.2° | 120.0° |
| C13 | C11 | O3 | 117.3° | 120.1° |
| C11 | C13 | C12 | 113.4° | 109.5° |
| C11 | C13 | N3 | 108.4° | 109.4° |
| C11 | C13 | H13 | 107.6° | 109.5° |
| N2 | C11 | O3 | 119.4° | 119.9° |
| C13 | C12 | C20 | 114.4° | 109.5° |
| C13 | C12 | H121 | 110.4° | 109.4° |
| C13 | C12 | H122 | 110.4° | 109.5° |
| C12 | C13 | N3 | 109.9° | 109.4° |
| C12 | C13 | H13 | 106.2° | 109.5° |
| C20 | C12 | H121 | 110.4° | 109.4° |
| C20 | C12 | H122 | 110.4° | 109.5° |
| C12 | C20 | C19 | 119.9° | 120.0° |
| C12 | C20 | C21 | 120.7° | 119.9° |
| H121 | C12 | H122 | 99.9° | 109.4° |
| N3 | C13 | H13 | 111.3° | 109.4° |
| C13 | N3 | C14 | 121.9° | 120.0° |
| C13 | N3 | HN3 | 124.1° | 120.1° |
| C15 | C14 | N3 | 117.1° | 120.0° |
| C15 | C14 | O4 | 119.2° | 120.0° |
| C14 | C15 | H151 | 117.1° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.4° |
| N3 | C14 | O4 | 123.7° | 120.0° |
| C14 | N3 | HN3 | 114.0° | 119.9° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H152 | C15 | H153 | 100.7° | 109.5° |
| C17 | C16 | C21 | 120.1° | 120.0° |
| C17 | C16 | H16 | 119.4° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C16 | C17 | H17 | 119.6° | 120.0° |
| C21 | C16 | H16 | 120.5° | 120.0° |
| C16 | C21 | C20 | 120.0° | 120.0° |
| C16 | C21 | H21 | 119.6° | 120.0° |
| C18 | C17 | H17 | 120.3° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C19 | C18 | H18 | 119.7° | 120.0° |
| C18 | C19 | C20 | 119.8° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C20 | C19 | H19 | 120.3° | 120.0° |
| C19 | C20 | C21 | 119.4° | 120.0° |
| C20 | C21 | H21 | 120.4° | 120.0° |
| HN11 | N1 | HN12 | 105.8° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | B1 | O | O1 | 128.3° | 180.0° |
| B1 | C | C2 | N | 121.5° | 120.0° |
| B1 | C | C2 | H | 120.7° | 120.0° |
| B1 | C | N | H | 120.7° | 120.0° |
| B1 | C | C2 | C3 | 167.0° | 60.0° |
| B1 | C | C2 | H21A | 41.7° | 180.0° |
| B1 | C | C2 | H22 | 67.7° | 60.0° |
| B1 | C | N | C7 | 106.9° | 90.0° |
| B1 | C | N | HN | 73.1° | 89.9° |
| C | B1 | O | HO | 180.0° | 180.0° |
| C | B1 | O1 | HO1 | 180.0° | 0.0° |
| O | B1 | C | C2 | 59.3° | 60.0° |
| O | B1 | C | N | 179.2° | 60.0° |
| O | B1 | C | H | 61.4° | 180.0° |
| O | B1 | O1 | HO1 | 57.2° | 180.0° |
| O1 | B1 | C | C2 | 178.5° | 120.1° |
| O1 | B1 | C | N | 57.0° | 120.0° |
| O1 | B1 | C | H | 60.9° | 0.0° |
| O1 | B1 | O | HO | 51.6° | 0.0° |
| C2 | C | N | H | 120.7° | 120.1° |
| C | C2 | C3 | H21A | 125.3° | 119.9° |
| C | C2 | C3 | H22 | 125.3° | 120.1° |
| C | C2 | H21A | H22 | 113.8° | 120.0° |
| C | C2 | C3 | C4 | 103.0° | 179.9° |
| C | C2 | C3 | H31 | 22.3° | 60.1° |
| C | C2 | C3 | H32 | 131.8° | 59.9° |
| C2 | C | N | C7 | 134.5° | 150.1° |
| C2 | C | N | HN | 45.5° | 30.0° |
| N | C | C2 | C3 | 45.6° | 180.0° |
| N | C | C2 | H21A | 79.8° | 60.0° |
| N | C | C2 | H22 | 170.9° | 60.0° |
| C | N | C7 | C6 | 178.6° | 180.0° |
| C | N | C7 | HN | 180.0° | 179.9° |
| C | N | C7 | O2 | 1.1° | 0.0° |
| H | C | C2 | C3 | 72.3° | 59.9° |
| H | C | C2 | H21A | 162.4° | 60.0° |
| H | C | C2 | H22 | 53.0° | 180.0° |
| H | C | N | C7 | 13.8° | 30.0° |
| H | C | N | HN | 166.2° | 150.1° |
| C3 | C2 | H21A | H22 | 113.9° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 116.8° | 120.0° |
| C2 | C3 | C4 | C5 | 177.9° | 180.0° |
| C2 | C3 | C4 | H41 | 56.9° | 60.0° |
| C2 | C3 | C4 | H42 | 52.5° | 60.0° |
| H21A | C2 | C3 | C4 | 131.7° | 60.0° |
| H21A | C2 | C3 | H31 | 103.0° | 180.0° |
| H21A | C2 | C3 | H32 | 6.5° | 60.0° |
| H22 | C2 | C3 | C4 | 22.3° | 60.0° |
| H22 | C2 | C3 | H31 | 147.5° | 60.0° |
| H22 | C2 | C3 | H32 | 102.9° | 180.0° |
| C4 | C3 | H31 | H32 | 116.9° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.3° | 120.0° |
| C3 | C4 | C5 | N1 | 112.9° | 180.0° |
| C3 | C4 | C5 | H51 | 121.9° | 60.0° |
| C3 | C4 | C5 | H52 | 12.4° | 59.9° |
| H31 | C3 | C4 | C5 | 52.6° | 60.0° |
| H31 | C3 | C4 | H41 | 177.9° | 180.0° |
| H31 | C3 | C4 | H42 | 72.7° | 60.0° |
| H32 | C3 | C4 | C5 | 56.9° | 60.0° |
| H32 | C3 | C4 | H41 | 68.4° | 60.0° |
| H32 | C3 | C4 | H42 | 177.8° | 180.0° |
| C5 | C4 | H41 | H42 | 117.4° | 120.0° |
| C4 | C5 | N1 | H51 | 125.2° | 120.0° |
| C4 | C5 | N1 | H52 | 125.2° | 120.1° |
| C4 | C5 | H51 | H52 | 111.0° | 119.9° |
| C4 | C5 | N1 | HN11 | 180.0° | 180.0° |
| C4 | C5 | N1 | HN12 | 54.7° | 66.2° |
| H41 | C4 | C5 | N1 | 12.4° | 60.1° |
| H41 | C4 | C5 | H51 | 112.8° | 179.9° |
| H41 | C4 | C5 | H52 | 137.7° | 60.0° |
| H42 | C4 | C5 | N1 | 121.8° | 60.0° |
| H42 | C4 | C5 | H51 | 3.4° | 60.1° |
| H42 | C4 | C5 | H52 | 112.9° | 180.0° |
| N1 | C5 | H51 | H52 | 111.1° | 120.0° |
| C5 | N1 | HN11 | HN12 | 125.3° | 113.8° |
| H51 | C5 | N1 | HN11 | 54.8° | 60.0° |
| H51 | C5 | N1 | HN12 | 70.5° | 173.8° |
| H52 | C5 | N1 | HN11 | 54.8° | 60.0° |
| H52 | C5 | N1 | HN12 | 180.0° | 53.9° |
| C7 | C6 | C8 | N2 | 120.6° | 119.9° |
| C7 | C6 | C8 | H6 | 117.4° | 121.0° |
| C7 | C6 | N2 | H6 | 117.4° | 121.1° |
| C6 | C7 | N | O2 | 177.5° | 180.0° |
| C7 | C6 | C8 | C9 | 103.3° | 141.8° |
| C7 | C6 | C8 | H81 | 22.0° | 99.7° |
| C7 | C6 | C8 | H82 | 131.4° | 23.5° |
| C7 | C6 | N2 | C10 | 111.4° | 118.2° |
| C7 | C6 | N2 | C11 | 64.7° | 61.5° |
| C6 | C7 | N | HN | 1.4° | 0.0° |
| C8 | C6 | N2 | H6 | 122.4° | 119.2° |
| C8 | C6 | C7 | N | 101.5° | 61.4° |
| C8 | C6 | C7 | O2 | 76.2° | 118.6° |
| C6 | C8 | C9 | H81 | 125.3° | 118.6° |
| C6 | C8 | C9 | H82 | 125.3° | 118.2° |
| C6 | C8 | H81 | H82 | 118.9° | 123.1° |
| C6 | C8 | C9 | C10 | 20.0° | 35.3° |
| C6 | C8 | C9 | H91 | 105.3° | 82.8° |
| C6 | C8 | C9 | H92 | 145.2° | 153.3° |
| C8 | C6 | N2 | C10 | 8.8° | 1.4° |
| C8 | C6 | N2 | C11 | 175.1° | 178.9° |
| N2 | C6 | C7 | N | 143.3° | 179.5° |
| N2 | C6 | C7 | O2 | 39.0° | 0.5° |
| N2 | C6 | C8 | C9 | 17.3° | 21.9° |
| N2 | C6 | C8 | H81 | 142.6° | 140.3° |
| N2 | C6 | C8 | H82 | 108.0° | 96.5° |
| C6 | N2 | C10 | C9 | 3.3° | 24.4° |
| C6 | N2 | C10 | C11 | 175.9° | 179.7° |
| C6 | N2 | C10 | H101 | 128.5° | 143.2° |
| C6 | N2 | C10 | H102 | 121.9° | 94.5° |
| C6 | N2 | C11 | C13 | 179.1° | 179.7° |
| C6 | N2 | C11 | O3 | 2.8° | 0.4° |
| H6 | C6 | C7 | N | 21.1° | 59.6° |
| H6 | C6 | C7 | O2 | 161.3° | 120.4° |
| H6 | C6 | C8 | C9 | 139.3° | 97.2° |
| H6 | C6 | C8 | H81 | 95.4° | 21.3° |
| H6 | C6 | C8 | H82 | 14.0° | 144.5° |
| H6 | C6 | N2 | C10 | 131.2° | 120.7° |
| H6 | C6 | N2 | C11 | 52.7° | 59.6° |
| O2 | C7 | N | HN | 178.8° | 180.0° |
| C9 | C8 | H81 | H82 | 119.0° | 123.2° |
| C8 | C9 | C10 | H91 | 125.2° | 118.1° |
| C8 | C9 | C10 | H92 | 125.2° | 118.1° |
| C8 | C9 | H91 | H92 | 119.0° | 123.9° |
| C8 | C9 | C10 | N2 | 14.3° | 37.0° |
| C8 | C9 | C10 | H101 | 139.5° | 155.8° |
| C8 | C9 | C10 | H102 | 111.0° | 81.8° |
| H81 | C8 | C9 | C10 | 145.2° | 154.0° |
| H81 | C8 | C9 | H91 | 20.0° | 35.9° |
| H81 | C8 | C9 | H92 | 89.5° | 88.0° |
| H82 | C8 | C9 | C10 | 105.3° | 82.8° |
| H82 | C8 | C9 | H91 | 129.5° | 159.1° |
| H82 | C8 | C9 | H92 | 20.0° | 35.2° |
| C10 | C9 | H91 | H92 | 119.1° | 123.8° |
| C9 | C10 | N2 | H101 | 125.2° | 118.8° |
| C9 | C10 | N2 | H102 | 125.2° | 118.9° |
| C9 | C10 | H101 | H102 | 119.4° | 122.4° |
| C9 | C10 | N2 | C11 | 172.6° | 155.9° |
| H91 | C9 | C10 | N2 | 110.9° | 81.1° |
| H91 | C9 | C10 | H101 | 14.3° | 37.7° |
| H91 | C9 | C10 | H102 | 123.8° | 160.1° |
| H92 | C9 | C10 | N2 | 139.5° | 155.1° |
| H92 | C9 | C10 | H101 | 95.3° | 86.2° |
| H92 | C9 | C10 | H102 | 14.2° | 36.3° |
| N2 | C10 | H101 | H102 | 119.5° | 122.3° |
| C10 | N2 | C11 | C13 | 3.6° | 0.1° |
| C10 | N2 | C11 | O3 | 178.4° | 180.0° |
| H101 | C10 | N2 | C11 | 47.4° | 37.1° |
| H102 | C10 | N2 | C11 | 62.1° | 85.2° |
| C13 | C11 | N2 | O3 | 178.0° | 179.9° |
| C11 | C13 | C12 | N3 | 121.5° | 120.0° |
| C11 | C13 | C12 | H13 | 118.0° | 120.1° |
| C11 | C13 | C12 | C20 | 59.0° | 180.0° |
| C11 | C13 | C12 | H121 | 66.2° | 60.1° |
| C11 | C13 | C12 | H122 | 175.7° | 59.9° |
| C11 | C13 | N3 | H13 | 118.2° | 120.0° |
| C11 | C13 | N3 | C14 | 123.9° | 60.0° |
| C11 | C13 | N3 | HN3 | 56.0° | 120.0° |
| N2 | C11 | C13 | C12 | 99.3° | 90.0° |
| N2 | C11 | C13 | N3 | 138.4° | 150.0° |
| N2 | C11 | C13 | H13 | 17.9° | 30.1° |
| O3 | C11 | C13 | C12 | 78.8° | 89.9° |
| O3 | C11 | C13 | N3 | 43.5° | 30.1° |
| O3 | C11 | C13 | H13 | 164.0° | 150.0° |
| C13 | C12 | C20 | H121 | 125.2° | 119.9° |
| C13 | C12 | C20 | H122 | 125.3° | 120.1° |
| C13 | C12 | H121 | H122 | 116.2° | 120.0° |
| C12 | C13 | N3 | H13 | 117.4° | 120.0° |
| C12 | C13 | N3 | C14 | 111.7° | 60.0° |
| C13 | C12 | C20 | C19 | 117.6° | 90.0° |
| C13 | C12 | C20 | C21 | 62.9° | 90.3° |
| C12 | C13 | N3 | HN3 | 68.4° | 120.0° |
| C20 | C12 | H121 | H122 | 116.3° | 120.0° |
| C20 | C12 | C13 | N3 | 179.5° | 60.1° |
| C20 | C12 | C13 | H13 | 59.0° | 59.9° |
| C12 | C20 | C21 | C16 | 179.9° | 179.8° |
| C12 | C20 | C19 | C18 | 179.3° | 180.0° |
| C12 | C20 | C19 | C21 | 179.5° | 179.7° |
| C12 | C20 | C19 | H19 | 0.7° | 0.0° |
| C12 | C20 | C21 | H21 | 0.1° | 0.2° |
| H121 | C12 | C13 | N3 | 55.3° | 180.0° |
| H121 | C12 | C13 | H13 | 175.8° | 60.0° |
| H121 | C12 | C20 | C19 | 7.6° | 30.0° |
| H121 | C12 | C20 | C21 | 171.9° | 149.8° |
| H122 | C12 | C13 | N3 | 54.2° | 60.1° |
| H122 | C12 | C13 | H13 | 66.3° | 180.0° |
| H122 | C12 | C20 | C19 | 117.1° | 149.9° |
| H122 | C12 | C20 | C21 | 62.4° | 29.8° |
| C13 | N3 | C14 | C15 | 179.3° | 180.0° |
| C13 | N3 | C14 | HN3 | 179.9° | 180.0° |
| C13 | N3 | C14 | O4 | 0.7° | 0.1° |
| H13 | C13 | N3 | C14 | 5.7° | 180.0° |
| H13 | C13 | N3 | HN3 | 174.2° | 0.0° |
| C15 | C14 | N3 | O4 | 178.5° | 179.9° |
| C14 | C15 | H151 | H152 | 125.3° | 120.1° |
| C14 | C15 | H151 | H153 | 125.2° | 119.9° |
| C14 | C15 | H152 | H153 | 115.2° | 119.9° |
| C15 | C14 | N3 | HN3 | 0.7° | 0.0° |
| N3 | C14 | C15 | H151 | 180.0° | 180.0° |
| N3 | C14 | C15 | H152 | 54.7° | 59.9° |
| N3 | C14 | C15 | H153 | 54.8° | 60.0° |
| O4 | C14 | C15 | H151 | 1.4° | 0.1° |
| O4 | C14 | C15 | H152 | 126.7° | 120.0° |
| O4 | C14 | C15 | H153 | 123.8° | 120.1° |
| O4 | C14 | N3 | HN3 | 179.2° | 179.9° |
| H151 | C15 | H152 | H153 | 115.2° | 120.0° |
| C17 | C16 | C21 | H16 | 179.9° | 179.8° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 1.2° | 0.0° |
| C16 | C17 | C18 | H18 | 178.8° | 180.0° |
| C17 | C16 | C21 | C20 | 0.5° | 0.4° |
| C17 | C16 | C21 | H21 | 179.5° | 180.0° |
| C21 | C16 | C17 | C18 | 0.4° | 0.2° |
| C21 | C16 | C17 | H17 | 179.6° | 179.9° |
| C16 | C21 | C20 | C19 | 0.6° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.6° |
| H16 | C16 | C17 | C18 | 179.6° | 180.0° |
| H16 | C16 | C17 | H17 | 0.4° | 0.1° |
| H16 | C16 | C21 | C20 | 179.4° | 179.8° |
| H16 | C16 | C21 | H21 | 0.5° | 0.2° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.1° | 0.1° |
| C17 | C18 | C19 | H19 | 178.8° | 180.0° |
| H17 | C17 | C18 | C19 | 178.8° | 179.9° |
| H17 | C17 | C18 | H18 | 1.2° | 0.1° |
| C18 | C19 | C20 | H19 | 179.9° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.3° |
| H18 | C18 | C19 | C20 | 179.0° | 179.9° |
| H18 | C18 | C19 | H19 | 1.1° | 0.0° |
| C19 | C20 | C21 | H21 | 179.4° | 180.0° |
| H19 | C19 | C20 | C21 | 179.8° | 179.8° |
