DI4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| B1 | C | sing | 1.57Å | 1.55Å | |
| B1 | O | sing | 1.42Å | 1.46Å | |
| B1 | O1 | sing | 1.42Å | 1.44Å | |
| C | C2 | sing | 1.53Å | 1.55Å | |
| C | N | sing | 1.46Å | 1.50Å | |
| C | H | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.47Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.42Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | N1 | sing | 1.47Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.51Å | 1.56Å | |
| C7 | C9 | sing | 1.54Å | 1.55Å | |
| C7 | N2 | sing | 1.47Å | 1.50Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| C8 | N | sing | 1.35Å | 1.36Å | |
| C8 | O2 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.55Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | N2 | sing | 1.47Å | 1.48Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C14 | sing | 1.51Å | 1.57Å | |
| C12 | N2 | sing | 1.35Å | 1.36Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C13 | C21 | sing | 1.51Å | 1.56Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | N3 | sing | 1.46Å | 1.48Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | N3 | sing | 1.35Å | 1.35Å | |
| C15 | O4 | doub | 1.21Å | 1.25Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | 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 | 108.3° | 120.0° |
| C | B1 | O1 | 117.4° | 120.0° |
| B1 | C | C2 | 108.3° | 109.5° |
| B1 | C | N | 116.2° | 109.5° |
| B1 | C | H | 106.2° | 109.5° |
| O | B1 | O1 | 106.0° | 120.0° |
| B1 | O | HO | 108.4° | 106.8° |
| B1 | O1 | HO1 | 117.4° | 106.8° |
| C2 | C | N | 111.3° | 109.5° |
| C2 | C | H | 111.7° | 109.5° |
| C | C2 | C3 | 116.2° | 109.5° |
| C | C2 | H21 | 109.8° | 109.5° |
| C | C2 | H22A | 109.8° | 109.4° |
| N | C | H | 102.9° | 109.4° |
| C | N | C8 | 120.9° | 120.0° |
| C | N | HN | 124.5° | 120.0° |
| C3 | C2 | H21 | 109.8° | 109.5° |
| C3 | C2 | H22A | 109.8° | 109.5° |
| C2 | C3 | C4 | 115.1° | 109.5° |
| C2 | C3 | H31 | 110.1° | 109.5° |
| C2 | C3 | H32 | 110.2° | 109.4° |
| H21 | C2 | H22A | 100.4° | 109.4° |
| C4 | C3 | H31 | 110.2° | 109.5° |
| C4 | C3 | H32 | 110.2° | 109.5° |
| C3 | C4 | C5 | 110.3° | 109.6° |
| C3 | C4 | H41 | 111.9° | 109.4° |
| C3 | C4 | H42 | 111.9° | 109.5° |
| H31 | C3 | H32 | 100.1° | 109.4° |
| C5 | C4 | H41 | 111.9° | 109.5° |
| C5 | C4 | H42 | 111.9° | 109.5° |
| C4 | C5 | C6 | 125.1° | 109.5° |
| C4 | C5 | H51 | 106.7° | 109.4° |
| C4 | C5 | H52 | 106.7° | 109.5° |
| H41 | C4 | H42 | 98.5° | 109.4° |
| C6 | C5 | H51 | 106.7° | 109.5° |
| C6 | C5 | H52 | 106.7° | 109.5° |
| C5 | C6 | N1 | 120.8° | 109.5° |
| C5 | C6 | H61 | 108.1° | 109.4° |
| C5 | C6 | H62 | 108.2° | 109.5° |
| H51 | C5 | H52 | 102.8° | 109.5° |
| N1 | C6 | H61 | 108.1° | 109.5° |
| N1 | C6 | H62 | 108.2° | 109.5° |
| C6 | N1 | HN11 | 120.8° | 106.7° |
| C6 | N1 | HN12 | 108.2° | 106.7° |
| H61 | C6 | H62 | 101.8° | 109.5° |
| C8 | C7 | C9 | 110.7° | 109.9° |
| C8 | C7 | N2 | 114.9° | 110.3° |
| C8 | C7 | H7 | 102.8° | 109.9° |
| C7 | C8 | N | 118.7° | 120.0° |
| C7 | C8 | O2 | 118.4° | 120.0° |
| C9 | C7 | N2 | 102.5° | 107.2° |
| C9 | C7 | H7 | 115.3° | 109.9° |
| C7 | C9 | C10 | 108.4° | 103.1° |
| C7 | C9 | H91 | 112.6° | 110.8° |
| C7 | C9 | H92 | 112.6° | 110.5° |
| N2 | C7 | H7 | 111.1° | 109.6° |
| C7 | N2 | C11 | 112.7° | 108.7° |
| C7 | N2 | C12 | 122.7° | 125.6° |
| N | C8 | O2 | 122.9° | 120.0° |
| C8 | N | HN | 114.6° | 120.0° |
| C10 | C9 | H91 | 112.6° | 110.7° |
| C10 | C9 | H92 | 112.6° | 110.7° |
| C9 | C10 | C11 | 107.0° | 101.6° |
| C9 | C10 | H101 | 113.1° | 111.0° |
| C9 | C10 | H102 | 113.2° | 111.0° |
| H91 | C9 | H92 | 97.8° | 110.8° |
| C11 | C10 | H101 | 113.1° | 111.0° |
| C11 | C10 | H102 | 113.2° | 111.0° |
| C10 | C11 | N2 | 106.3° | 104.9° |
| C10 | C11 | H111 | 113.4° | 110.4° |
| C10 | C11 | H112 | 113.4° | 110.3° |
| H101 | C10 | H102 | 97.3° | 110.9° |
| N2 | C11 | H111 | 113.4° | 110.4° |
| N2 | C11 | H112 | 113.4° | 110.4° |
| C11 | N2 | C12 | 124.6° | 125.7° |
| H111 | C11 | H112 | 97.1° | 110.4° |
| C14 | C12 | N2 | 123.1° | 120.0° |
| C14 | C12 | O3 | 116.5° | 120.1° |
| C12 | C14 | C13 | 113.4° | 109.5° |
| C12 | C14 | N3 | 107.8° | 109.5° |
| C12 | C14 | H14 | 108.6° | 109.5° |
| N2 | C12 | O3 | 120.4° | 120.0° |
| C14 | C13 | C21 | 114.3° | 109.5° |
| C14 | C13 | H131 | 110.4° | 109.4° |
| C14 | C13 | H132 | 110.5° | 109.4° |
| C13 | C14 | N3 | 111.6° | 109.4° |
| C13 | C14 | H14 | 104.7° | 109.4° |
| C21 | C13 | H131 | 110.5° | 109.5° |
| C21 | C13 | H132 | 110.5° | 109.5° |
| C13 | C21 | C20 | 120.1° | 120.1° |
| C13 | C21 | C22 | 120.9° | 119.9° |
| H131 | C13 | H132 | 99.8° | 109.5° |
| N3 | C14 | H14 | 110.6° | 109.5° |
| C14 | N3 | C15 | 121.2° | 120.0° |
| C14 | N3 | HN3 | 124.1° | 120.0° |
| C16 | C15 | N3 | 117.3° | 120.0° |
| C16 | C15 | O4 | 121.2° | 120.0° |
| C15 | C16 | H161 | 117.3° | 109.4° |
| C15 | C16 | H162 | 109.4° | 109.5° |
| C15 | C16 | H163 | 109.4° | 109.4° |
| N3 | C15 | O4 | 121.5° | 120.0° |
| C15 | N3 | HN3 | 114.7° | 120.0° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H161 | C16 | H163 | 109.3° | 109.5° |
| H162 | C16 | H163 | 100.7° | 109.5° |
| C18 | C17 | C22 | 120.1° | 120.0° |
| C18 | C17 | H17 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| C22 | C17 | H17 | 120.4° | 120.0° |
| C17 | C22 | C21 | 120.3° | 120.0° |
| C17 | C22 | H22 | 119.5° | 120.0° |
| C19 | C18 | H18 | 120.3° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | H19 | 120.1° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H20 | 119.8° | 120.0° |
| C21 | C20 | H20 | 119.6° | 120.0° |
| C20 | C21 | C22 | 119.0° | 120.0° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| HN11 | N1 | HN12 | 108.2° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | B1 | O | O1 | 126.9° | 180.0° |
| B1 | C | C2 | N | 129.0° | 120.0° |
| B1 | C | C2 | H | 116.6° | 120.0° |
| B1 | C | N | H | 115.6° | 120.0° |
| B1 | C | C2 | C3 | 133.3° | 60.0° |
| B1 | C | C2 | H21 | 101.5° | 179.9° |
| B1 | C | C2 | H22A | 8.0° | 60.1° |
| B1 | C | N | C8 | 98.0° | 89.9° |
| B1 | C | N | HN | 82.0° | 90.0° |
| C | B1 | O | HO | 180.0° | 179.9° |
| C | B1 | O1 | HO1 | 180.0° | 0.0° |
| O | B1 | C | C2 | 63.0° | 60.1° |
| O | B1 | C | N | 170.8° | 60.0° |
| O | B1 | C | H | 57.1° | 179.9° |
| O | B1 | O1 | HO1 | 58.8° | 179.9° |
| O1 | B1 | C | C2 | 177.0° | 120.0° |
| O1 | B1 | C | N | 50.9° | 120.0° |
| O1 | B1 | C | H | 62.9° | 0.0° |
| O1 | B1 | O | HO | 53.1° | 0.1° |
| C2 | C | N | H | 119.7° | 120.0° |
| C | C2 | C3 | H21 | 125.3° | 120.1° |
| C | C2 | C3 | H22A | 125.2° | 120.0° |
| C | C2 | H21 | H22A | 115.6° | 119.9° |
| C | C2 | C3 | C4 | 103.5° | 180.0° |
| C | C2 | C3 | H31 | 131.2° | 59.9° |
| C | C2 | C3 | H32 | 21.8° | 60.0° |
| C2 | C | N | C8 | 137.3° | 150.0° |
| C2 | C | N | HN | 42.7° | 30.1° |
| N | C | C2 | C3 | 97.8° | 180.0° |
| N | C | C2 | H21 | 27.5° | 59.9° |
| N | C | C2 | H22A | 137.0° | 60.0° |
| C | N | C8 | C7 | 179.5° | 180.0° |
| C | N | C8 | HN | 180.0° | 179.9° |
| C | N | C8 | O2 | 0.0° | 0.1° |
| H | C | C2 | C3 | 16.6° | 60.0° |
| H | C | C2 | H21 | 141.9° | 60.1° |
| H | C | C2 | H22A | 108.6° | 179.9° |
| H | C | N | C8 | 17.6° | 30.0° |
| H | C | N | HN | 162.4° | 150.0° |
| C3 | C2 | H21 | H22A | 115.6° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 120.1° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 116.0° | 119.9° |
| C2 | C3 | C4 | C5 | 118.6° | 180.0° |
| C2 | C3 | C4 | H41 | 116.2° | 60.0° |
| C2 | C3 | C4 | H42 | 6.7° | 59.9° |
| H21 | C2 | C3 | C4 | 21.8° | 60.0° |
| H21 | C2 | C3 | H31 | 103.5° | 180.0° |
| H21 | C2 | C3 | H32 | 147.1° | 60.1° |
| H22A | C2 | C3 | C4 | 131.3° | 60.0° |
| H22A | C2 | C3 | H31 | 6.0° | 60.1° |
| H22A | C2 | C3 | H32 | 103.4° | 180.0° |
| C4 | C3 | H31 | H32 | 116.0° | 120.0° |
| C3 | C4 | C5 | H41 | 125.2° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.1° |
| C3 | C4 | H41 | H42 | 117.8° | 119.9° |
| C3 | C4 | C5 | C6 | 154.0° | 180.0° |
| C3 | C4 | C5 | H51 | 80.7° | 60.0° |
| C3 | C4 | C5 | H52 | 28.7° | 59.9° |
| H31 | C3 | C4 | C5 | 6.7° | 60.0° |
| H31 | C3 | C4 | H41 | 118.6° | 180.0° |
| H31 | C3 | C4 | H42 | 131.9° | 60.1° |
| H32 | C3 | C4 | C5 | 116.2° | 59.9° |
| H32 | C3 | C4 | H41 | 9.1° | 60.1° |
| H32 | C3 | C4 | H42 | 118.6° | 180.0° |
| C5 | C4 | H41 | H42 | 117.9° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 112.1° | 120.0° |
| C4 | C5 | C6 | N1 | 130.4° | 180.0° |
| C4 | C5 | C6 | H61 | 104.4° | 60.0° |
| C4 | C5 | C6 | H62 | 5.1° | 60.0° |
| H41 | C4 | C5 | C6 | 28.8° | 60.0° |
| H41 | C4 | C5 | H51 | 154.1° | 180.0° |
| H41 | C4 | C5 | H52 | 96.5° | 60.0° |
| H42 | C4 | C5 | C6 | 80.8° | 59.9° |
| H42 | C4 | C5 | H51 | 44.5° | 60.1° |
| H42 | C4 | C5 | H52 | 153.9° | 180.0° |
| C6 | C5 | H51 | H52 | 112.1° | 120.0° |
| C5 | C6 | N1 | H61 | 125.2° | 119.9° |
| C5 | C6 | N1 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 113.8° | 120.0° |
| C5 | C6 | N1 | HN11 | 180.0° | 180.0° |
| C5 | C6 | N1 | HN12 | 54.7° | 66.3° |
| H51 | C5 | C6 | N1 | 5.1° | 60.1° |
| H51 | C5 | C6 | H61 | 130.3° | 180.0° |
| H51 | C5 | C6 | H62 | 120.2° | 60.0° |
| H52 | C5 | C6 | N1 | 104.3° | 59.9° |
| H52 | C5 | C6 | H61 | 20.9° | 60.0° |
| H52 | C5 | C6 | H62 | 130.4° | 180.0° |
| N1 | C6 | H61 | H62 | 113.8° | 120.1° |
| C6 | N1 | HN11 | HN12 | 125.2° | 113.7° |
| H61 | C6 | N1 | HN11 | 54.8° | 60.1° |
| H61 | C6 | N1 | HN12 | 70.5° | 173.8° |
| H62 | C6 | N1 | HN11 | 54.8° | 60.0° |
| H62 | C6 | N1 | HN12 | 180.0° | 53.7° |
| C8 | C7 | C9 | N2 | 123.0° | 119.9° |
| C8 | C7 | C9 | H7 | 116.2° | 121.1° |
| C8 | C7 | N2 | H7 | 116.3° | 121.1° |
| C7 | C8 | N | O2 | 179.4° | 179.9° |
| C8 | C7 | C9 | C10 | 105.6° | 141.7° |
| C8 | C7 | C9 | H91 | 19.7° | 99.8° |
| C8 | C7 | C9 | H92 | 129.1° | 23.4° |
| C8 | C7 | N2 | C11 | 103.5° | 118.2° |
| C8 | C7 | N2 | C12 | 73.2° | 61.5° |
| C7 | C8 | N | HN | 0.5° | 0.1° |
| C9 | C7 | N2 | H7 | 123.6° | 119.2° |
| C9 | C7 | C8 | N | 113.2° | 61.5° |
| C9 | C7 | C8 | O2 | 66.3° | 118.6° |
| C7 | C9 | C10 | H91 | 125.2° | 118.6° |
| C7 | C9 | C10 | H92 | 125.3° | 118.2° |
| C7 | C9 | H91 | H92 | 118.5° | 123.0° |
| C7 | C9 | C10 | C11 | 12.6° | 35.3° |
| C7 | C9 | C10 | H101 | 112.6° | 82.7° |
| C7 | C9 | C10 | H102 | 137.9° | 153.4° |
| C9 | C7 | N2 | C11 | 16.6° | 1.4° |
| C9 | C7 | N2 | C12 | 166.6° | 178.8° |
| N2 | C7 | C8 | N | 131.3° | 179.5° |
| N2 | C7 | C8 | O2 | 49.2° | 0.6° |
| N2 | C7 | C9 | C10 | 17.4° | 21.9° |
| N2 | C7 | C9 | H91 | 142.7° | 140.3° |
| N2 | C7 | C9 | H92 | 107.9° | 96.5° |
| C7 | N2 | C11 | C10 | 9.4° | 24.3° |
| C7 | N2 | C11 | C12 | 176.6° | 179.8° |
| C7 | N2 | C11 | H111 | 115.8° | 143.2° |
| C7 | N2 | C11 | H112 | 134.7° | 94.5° |
| C7 | N2 | C12 | C14 | 177.4° | 179.8° |
| C7 | N2 | C12 | O3 | 0.6° | 0.3° |
| H7 | C7 | C8 | N | 10.4° | 59.6° |
| H7 | C7 | C8 | O2 | 170.1° | 120.3° |
| H7 | C7 | C9 | C10 | 138.2° | 97.2° |
| H7 | C7 | C9 | H91 | 96.5° | 21.3° |
| H7 | C7 | C9 | H92 | 12.9° | 144.5° |
| H7 | C7 | N2 | C11 | 140.3° | 120.6° |
| H7 | C7 | N2 | C12 | 43.0° | 59.6° |
| O2 | C8 | N | HN | 180.0° | 180.0° |
| C10 | C9 | H91 | H92 | 118.5° | 123.2° |
| C9 | C10 | C11 | H101 | 125.3° | 118.0° |
| C9 | C10 | C11 | H102 | 125.3° | 118.1° |
| C9 | C10 | H101 | H102 | 119.1° | 123.9° |
| C9 | C10 | C11 | N2 | 2.3° | 37.0° |
| C9 | C10 | C11 | H111 | 127.5° | 155.9° |
| C9 | C10 | C11 | H112 | 123.0° | 81.9° |
| H91 | C9 | C10 | C11 | 137.9° | 153.8° |
| H91 | C9 | C10 | H101 | 12.6° | 35.8° |
| H91 | C9 | C10 | H102 | 96.8° | 88.0° |
| H92 | C9 | C10 | C11 | 112.7° | 82.9° |
| H92 | C9 | C10 | H101 | 122.1° | 159.1° |
| H92 | C9 | C10 | H102 | 12.6° | 35.2° |
| C11 | C10 | H101 | H102 | 119.1° | 123.9° |
| C10 | C11 | N2 | H111 | 125.2° | 118.9° |
| C10 | C11 | N2 | H112 | 125.3° | 118.8° |
| C10 | C11 | H111 | H112 | 119.3° | 122.2° |
| C10 | C11 | N2 | C12 | 173.9° | 155.9° |
| H101 | C10 | C11 | N2 | 122.9° | 81.1° |
| H101 | C10 | C11 | H111 | 2.3° | 37.8° |
| H101 | C10 | C11 | H112 | 111.8° | 160.1° |
| H102 | C10 | C11 | N2 | 127.6° | 155.1° |
| H102 | C10 | C11 | H111 | 107.2° | 86.0° |
| H102 | C10 | C11 | H112 | 2.3° | 36.2° |
| N2 | C11 | H111 | H112 | 119.3° | 122.3° |
| C11 | N2 | C12 | C14 | 6.3° | 0.0° |
| C11 | N2 | C12 | O3 | 175.7° | 180.0° |
| H111 | C11 | N2 | C12 | 60.9° | 37.0° |
| H112 | C11 | N2 | C12 | 48.6° | 85.3° |
| C14 | C12 | N2 | O3 | 178.0° | 180.0° |
| C12 | C14 | C13 | N3 | 122.0° | 120.0° |
| C12 | C14 | C13 | H14 | 118.3° | 120.1° |
| C12 | C14 | C13 | C21 | 62.6° | 180.0° |
| C12 | C14 | C13 | H131 | 62.7° | 60.0° |
| C12 | C14 | C13 | H132 | 172.1° | 59.9° |
| C12 | C14 | N3 | H14 | 118.7° | 120.0° |
| C12 | C14 | N3 | C15 | 131.1° | 60.0° |
| C12 | C14 | N3 | HN3 | 48.9° | 120.0° |
| N2 | C12 | C14 | C13 | 117.8° | 90.0° |
| N2 | C12 | C14 | N3 | 118.2° | 150.0° |
| N2 | C12 | C14 | H14 | 1.8° | 30.0° |
| O3 | C12 | C14 | C13 | 60.3° | 90.0° |
| O3 | C12 | C14 | N3 | 63.7° | 30.0° |
| O3 | C12 | C14 | H14 | 176.3° | 150.0° |
| C14 | C13 | C21 | H131 | 125.2° | 120.0° |
| C14 | C13 | C21 | H132 | 125.3° | 120.0° |
| C14 | C13 | H131 | H132 | 116.3° | 119.9° |
| C13 | C14 | N3 | H14 | 116.2° | 119.9° |
| C13 | C14 | N3 | C15 | 103.8° | 60.1° |
| C14 | C13 | C21 | C20 | 125.9° | 90.0° |
| C14 | C13 | C21 | C22 | 52.2° | 90.3° |
| C13 | C14 | N3 | HN3 | 76.3° | 120.0° |
| C21 | C13 | H131 | H132 | 116.3° | 120.1° |
| C21 | C13 | C14 | N3 | 175.4° | 60.0° |
| C21 | C13 | C14 | H14 | 55.7° | 59.9° |
| C13 | C21 | C22 | C17 | 179.8° | 179.8° |
| C13 | C21 | C20 | C19 | 179.8° | 180.0° |
| C13 | C21 | C20 | C22 | 178.1° | 179.7° |
| C13 | C21 | C20 | H20 | 0.2° | 0.0° |
| C13 | C21 | C22 | H22 | 0.2° | 0.3° |
| H131 | C13 | C14 | N3 | 59.3° | 180.0° |
| H131 | C13 | C14 | H14 | 179.1° | 60.1° |
| H131 | C13 | C21 | C20 | 0.7° | 29.9° |
| H131 | C13 | C21 | C22 | 177.4° | 149.7° |
| H132 | C13 | C14 | N3 | 50.1° | 60.1° |
| H132 | C13 | C14 | H14 | 69.6° | 180.0° |
| H132 | C13 | C21 | C20 | 108.8° | 150.0° |
| H132 | C13 | C21 | C22 | 73.1° | 29.7° |
| C14 | N3 | C15 | C16 | 174.2° | 180.0° |
| C14 | N3 | C15 | HN3 | 180.0° | 179.9° |
| C14 | N3 | C15 | O4 | 6.0° | 0.1° |
| H14 | C14 | N3 | C15 | 12.4° | 180.0° |
| H14 | C14 | N3 | HN3 | 167.6° | 0.1° |
| C16 | C15 | N3 | O4 | 179.7° | 179.9° |
| C15 | C16 | H161 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H163 | 125.2° | 119.9° |
| C15 | C16 | H162 | H163 | 115.2° | 120.0° |
| C16 | C15 | N3 | HN3 | 5.8° | 0.1° |
| N3 | C15 | C16 | H161 | 179.9° | 179.9° |
| N3 | C15 | C16 | H162 | 54.7° | 60.0° |
| N3 | C15 | C16 | H163 | 54.8° | 60.0° |
| O4 | C15 | C16 | H161 | 0.2° | 0.0° |
| O4 | C15 | C16 | H162 | 125.5° | 120.1° |
| O4 | C15 | C16 | H163 | 125.0° | 119.9° |
| O4 | C15 | N3 | HN3 | 173.9° | 180.0° |
| H161 | C16 | H162 | H163 | 115.1° | 120.0° |
| C18 | C17 | C22 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | NaN° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C18 | C17 | C22 | C21 | 1.0° | 0.4° |
| C18 | C17 | C22 | H22 | 178.9° | 180.0° |
| C22 | C17 | C18 | C19 | 0.4° | 0.2° |
| C22 | C17 | C18 | H18 | 179.6° | 179.8° |
| C17 | C22 | C21 | C20 | 1.6° | 0.5° |
| C17 | C22 | C21 | H22 | 180.0° | 179.6° |
| H17 | C17 | C18 | C19 | 179.7° | 180.0° |
| H17 | C17 | C18 | H18 | 0.4° | 0.0° |
| H17 | C17 | C22 | C21 | 179.0° | 179.7° |
| H17 | C17 | C22 | H22 | 1.0° | 0.2° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.0° | 0.1° |
| C18 | C19 | C20 | H20 | 178.9° | 180.0° |
| H18 | C18 | C19 | C20 | 179.6° | 180.0° |
| H18 | C18 | C19 | H19 | 0.4° | 0.0° |
| C19 | C20 | C21 | H20 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 1.6° | 0.3° |
| H19 | C19 | C20 | C21 | 179.0° | 179.9° |
| H19 | C19 | C20 | H20 | 1.0° | 0.0° |
| C20 | C21 | C22 | H22 | 178.3° | 179.9° |
| H20 | C20 | C21 | C22 | 178.3° | 179.7° |
