BDK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C1 | C17 | sing | 1.51Å | 1.55Å | |
| C1 | F1 | sing | 1.40Å | 1.32Å | |
| C1 | F2 | sing | 1.40Å | 1.34Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | O1 | doub | 1.21Å | 1.38Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.46Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | N2 | sing | 1.47Å | 1.49Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.41Å | 1.46Å | Aromatic |
| C9 | N2 | sing | 1.35Å | 1.39Å | Aromatic |
| C9 | O3 | doub | 1.22Å | 1.22Å | |
| C10 | C11 | doub | 1.38Å | 1.34Å | Aromatic |
| C10 | N4 | sing | 1.40Å | 1.40Å | |
| C11 | N3 | sing | 1.33Å | 1.37Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.47Å | 1.49Å | Aromatic |
| C12 | N2 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | S1 | sing | 1.78Å | 1.73Å | Aromatic |
| C14 | C15 | sing | 1.37Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.36Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | S1 | sing | 1.73Å | 1.72Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | N5 | sing | 1.35Å | 1.33Å | |
| C17 | O4 | doub | 1.21Å | 1.21Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | N5 | sing | 1.46Å | 1.48Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | N6 | sing | 1.47Å | 1.45Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | N6 | sing | 1.47Å | 1.46Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | O5 | sing | 1.43Å | 1.42Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | O5 | sing | 1.43Å | 1.42Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | N6 | sing | 1.47Å | 1.46Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C17 | 110.0° | 109.4° |
| C2 | C1 | F1 | 111.2° | 109.4° |
| C2 | C1 | F2 | 112.0° | 109.5° |
| C1 | C2 | C3 | 113.9° | 120.1° |
| C1 | C2 | O1 | 106.5° | 120.0° |
| C17 | C1 | F1 | 109.5° | 109.5° |
| C17 | C1 | F2 | 111.5° | 109.5° |
| C1 | C17 | N5 | 116.0° | 120.0° |
| C1 | C17 | O4 | 120.6° | 120.0° |
| F1 | C1 | F2 | 102.4° | 109.5° |
| C3 | C2 | O1 | 109.4° | 120.0° |
| C2 | C3 | C4 | 119.3° | 109.5° |
| C2 | C3 | N1 | 109.1° | 109.5° |
| C2 | C3 | H3 | 103.1° | 109.5° |
| C4 | C3 | N1 | 110.9° | 109.4° |
| C4 | C3 | H3 | 101.0° | 109.5° |
| C3 | C4 | C5 | 113.0° | 109.5° |
| C3 | C4 | C6 | 113.8° | 109.4° |
| C3 | C4 | H4 | 104.4° | 109.5° |
| N1 | C3 | H3 | 113.0° | 109.4° |
| C3 | N1 | C7 | 122.6° | 120.0° |
| C3 | N1 | HN1 | 124.4° | 120.0° |
| C5 | C4 | C6 | 111.4° | 109.5° |
| C5 | C4 | H4 | 107.2° | 109.5° |
| C4 | C5 | H51 | 113.0° | 109.5° |
| C4 | C5 | H52 | 110.9° | 109.4° |
| C4 | C5 | H53 | 110.9° | 109.4° |
| C6 | C4 | H4 | 106.3° | 109.5° |
| C4 | C6 | H61 | 113.8° | 109.5° |
| C4 | C6 | H62 | 110.6° | 109.5° |
| C4 | C6 | H63 | 110.6° | 109.5° |
| H51 | C5 | H52 | 111.0° | 109.5° |
| H51 | C5 | H53 | 111.0° | 109.5° |
| H52 | C5 | H53 | 99.4° | 109.5° |
| H61 | C6 | H62 | 110.7° | 109.5° |
| H61 | C6 | H63 | 110.7° | 109.5° |
| H62 | C6 | H63 | 99.6° | 109.5° |
| C8 | C7 | N1 | 114.4° | 120.0° |
| C8 | C7 | O2 | 121.7° | 120.0° |
| C7 | C8 | N2 | 111.7° | 109.4° |
| C7 | C8 | H81 | 111.4° | 109.5° |
| C7 | C8 | H82 | 111.4° | 109.5° |
| N1 | C7 | O2 | 123.8° | 120.0° |
| C7 | N1 | HN1 | 113.0° | 120.0° |
| N2 | C8 | H81 | 111.4° | 109.5° |
| N2 | C8 | H82 | 111.4° | 109.4° |
| C8 | N2 | C9 | 119.1° | 120.1° |
| C8 | N2 | C12 | 119.6° | 120.1° |
| H81 | C8 | H82 | 99.0° | 109.5° |
| C10 | C9 | N2 | 116.3° | 118.7° |
| C10 | C9 | O3 | 121.4° | 120.7° |
| C9 | C10 | C11 | 118.2° | 118.7° |
| C9 | C10 | N4 | 117.4° | 120.6° |
| N2 | C9 | O3 | 122.3° | 120.6° |
| C9 | N2 | C12 | 121.2° | 119.8° |
| C11 | C10 | N4 | 124.3° | 120.6° |
| C10 | C11 | N3 | 123.1° | 120.0° |
| C10 | C11 | H11 | 117.3° | 120.0° |
| C10 | N4 | HN41 | 117.4° | 120.0° |
| C10 | N4 | HN42 | 109.3° | 120.0° |
| N3 | C11 | H11 | 119.6° | 120.0° |
| C11 | N3 | C12 | 120.5° | 121.5° |
| C13 | C12 | N2 | 123.8° | 119.3° |
| C13 | C12 | N3 | 116.1° | 119.4° |
| C12 | C13 | C14 | 129.5° | 129.1° |
| C12 | C13 | S1 | 119.4° | 129.1° |
| N2 | C12 | N3 | 120.1° | 121.3° |
| C14 | C13 | S1 | 111.1° | 101.9° |
| C13 | C14 | C15 | 112.5° | 117.1° |
| C13 | C14 | H14 | 123.1° | 121.5° |
| C13 | S1 | C16 | 93.0° | 98.6° |
| C15 | C14 | H14 | 124.3° | 121.5° |
| C14 | C15 | C16 | 113.3° | 119.2° |
| C14 | C15 | H15 | 123.1° | 120.4° |
| C16 | C15 | H15 | 123.6° | 120.4° |
| C15 | C16 | S1 | 109.9° | 103.2° |
| C15 | C16 | H16 | 117.3° | 128.4° |
| S1 | C16 | H16 | 132.8° | 128.4° |
| N5 | C17 | O4 | 123.1° | 120.0° |
| C17 | N5 | C18 | 120.1° | 120.0° |
| C17 | N5 | HN5 | 114.8° | 119.9° |
| C19 | C18 | N5 | 108.9° | 109.5° |
| C19 | C18 | H181 | 112.4° | 109.5° |
| C19 | C18 | H182 | 112.4° | 109.4° |
| C18 | C19 | N6 | 113.1° | 109.5° |
| C18 | C19 | H191 | 110.9° | 109.6° |
| C18 | C19 | H192 | 110.9° | 109.5° |
| N5 | C18 | H181 | 112.4° | 109.4° |
| N5 | C18 | H182 | 112.4° | 109.5° |
| C18 | N5 | HN5 | 125.1° | 120.1° |
| H181 | C18 | H182 | 98.0° | 109.5° |
| N6 | C19 | H191 | 110.9° | 109.4° |
| N6 | C19 | H192 | 110.8° | 109.4° |
| C19 | N6 | C20 | 109.5° | 106.8° |
| C19 | N6 | C23 | 109.6° | 106.7° |
| H191 | C19 | H192 | 99.5° | 109.5° |
| C21 | C20 | N6 | 110.4° | 109.6° |
| C21 | C20 | H201 | 111.9° | 109.5° |
| C21 | C20 | H202 | 111.9° | 109.5° |
| C20 | C21 | O5 | 111.3° | 109.7° |
| C20 | C21 | H211 | 111.5° | 109.5° |
| C20 | C21 | H212 | 111.6° | 109.4° |
| N6 | C20 | H201 | 111.9° | 109.4° |
| N6 | C20 | H202 | 111.9° | 109.4° |
| C20 | N6 | C23 | 107.3° | 106.6° |
| H201 | C20 | H202 | 98.5° | 109.4° |
| O5 | C21 | H211 | 111.5° | 109.4° |
| O5 | C21 | H212 | 111.5° | 109.4° |
| C21 | O5 | C22 | 109.2° | 107.1° |
| H211 | C21 | H212 | 98.8° | 109.4° |
| C23 | C22 | O5 | 112.1° | 109.7° |
| C23 | C22 | H221 | 111.3° | 109.4° |
| C23 | C22 | H222 | 111.3° | 109.4° |
| C22 | C23 | N6 | 110.1° | 109.5° |
| C22 | C23 | H231 | 112.0° | 109.5° |
| C22 | C23 | H232 | 111.9° | 109.5° |
| O5 | C22 | H221 | 111.2° | 109.4° |
| O5 | C22 | H222 | 111.2° | 109.5° |
| H221 | C22 | H222 | 99.1° | 109.4° |
| N6 | C23 | H231 | 111.9° | 109.5° |
| N6 | C23 | H232 | 111.9° | 109.5° |
| H231 | C23 | H232 | 98.5° | 109.4° |
| HN41 | N4 | HN42 | 109.3° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C17 | F1 | 122.5° | 119.9° |
| C2 | C1 | C17 | F2 | 124.9° | 120.0° |
| C2 | C1 | F1 | F2 | 119.8° | 120.1° |
| C1 | C2 | C3 | O1 | 119.1° | 180.0° |
| C1 | C2 | C3 | C4 | 161.8° | 97.9° |
| C1 | C2 | C3 | N1 | 69.4° | 142.1° |
| C1 | C2 | C3 | H3 | 50.9° | 22.1° |
| C2 | C1 | C17 | N5 | 108.1° | 90.1° |
| C2 | C1 | C17 | O4 | 66.0° | 90.0° |
| C17 | C1 | F1 | F2 | 118.4° | 120.0° |
| C17 | C1 | C2 | C3 | 84.7° | 58.6° |
| C17 | C1 | C2 | O1 | 36.0° | 121.3° |
| C1 | C17 | N5 | O4 | 173.9° | 179.9° |
| C1 | C17 | N5 | C18 | 158.1° | 180.0° |
| C1 | C17 | N5 | HN5 | 21.9° | 0.1° |
| F1 | C1 | C2 | C3 | 153.9° | 61.3° |
| F1 | C1 | C2 | O1 | 85.5° | 118.7° |
| F1 | C1 | C17 | N5 | 14.4° | 150.0° |
| F1 | C1 | C17 | O4 | 171.5° | 29.9° |
| F2 | C1 | C2 | C3 | 40.0° | 178.6° |
| F2 | C1 | C2 | O1 | 160.7° | 1.3° |
| F2 | C1 | C17 | N5 | 127.0° | 30.0° |
| F2 | C1 | C17 | O4 | 58.9° | 149.9° |
| C2 | C3 | C4 | N1 | 128.0° | 120.0° |
| C2 | C3 | C4 | H3 | 112.0° | 120.0° |
| C2 | C3 | N1 | H3 | 114.1° | 120.0° |
| C2 | C3 | C4 | C5 | 161.1° | 67.6° |
| C2 | C3 | C4 | C6 | 70.5° | 52.4° |
| C2 | C3 | C4 | H4 | 44.9° | 172.3° |
| C2 | C3 | N1 | C7 | 114.7° | 150.0° |
| C2 | C3 | N1 | HN1 | 65.3° | 30.0° |
| O1 | C2 | C3 | C4 | 42.7° | 82.1° |
| O1 | C2 | C3 | N1 | 171.5° | 37.8° |
| O1 | C2 | C3 | H3 | 68.1° | 157.8° |
| C4 | C3 | N1 | H3 | 112.6° | 120.0° |
| C3 | C4 | C5 | C6 | 129.7° | 120.0° |
| C3 | C4 | C5 | H4 | 114.5° | 120.0° |
| C3 | C4 | C6 | H4 | 114.3° | 120.0° |
| C3 | C4 | C5 | H51 | 180.0° | 180.0° |
| C3 | C4 | C5 | H52 | 54.7° | 60.0° |
| C3 | C4 | C5 | H53 | 54.7° | 60.0° |
| C3 | C4 | C6 | H61 | 180.0° | 66.3° |
| C3 | C4 | C6 | H62 | 54.7° | 53.7° |
| C3 | C4 | C6 | H63 | 54.7° | 173.7° |
| C4 | C3 | N1 | C7 | 112.0° | 90.0° |
| C4 | C3 | N1 | HN1 | 68.0° | 90.0° |
| N1 | C3 | C4 | C5 | 70.9° | 52.4° |
| N1 | C3 | C4 | C6 | 57.5° | 172.4° |
| N1 | C3 | C4 | H4 | 172.9° | 67.6° |
| C3 | N1 | C7 | C8 | 178.1° | 180.0° |
| C3 | N1 | C7 | HN1 | 180.0° | 179.9° |
| C3 | N1 | C7 | O2 | 4.5° | 0.0° |
| H3 | C3 | C4 | C5 | 49.1° | 172.4° |
| H3 | C3 | C4 | C6 | 177.5° | 67.6° |
| H3 | C3 | C4 | H4 | 67.1° | 52.3° |
| H3 | C3 | N1 | C7 | 0.6° | 30.0° |
| H3 | C3 | N1 | HN1 | 179.4° | 150.0° |
| C5 | C4 | C6 | H4 | 116.5° | 120.0° |
| C4 | C5 | H51 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H53 | 125.3° | 120.0° |
| C4 | C5 | H52 | H53 | 116.7° | 119.9° |
| C5 | C4 | C6 | H61 | 50.8° | 53.7° |
| C5 | C4 | C6 | H62 | 74.5° | 173.7° |
| C5 | C4 | C6 | H63 | 176.1° | 66.3° |
| C6 | C4 | C5 | H51 | 50.4° | 60.0° |
| C6 | C4 | C5 | H52 | 175.6° | 180.0° |
| C6 | C4 | C5 | H53 | 74.9° | 60.0° |
| C4 | C6 | H61 | H62 | 125.3° | 120.0° |
| C4 | C6 | H61 | H63 | 125.2° | 120.0° |
| C4 | C6 | H62 | H63 | 116.4° | 120.0° |
| H4 | C4 | C5 | H51 | 65.5° | 60.0° |
| H4 | C4 | C5 | H52 | 59.8° | 60.0° |
| H4 | C4 | C5 | H53 | 169.2° | 180.0° |
| H4 | C4 | C6 | H61 | 65.7° | 173.7° |
| H4 | C4 | C6 | H62 | 169.0° | 66.3° |
| H4 | C4 | C6 | H63 | 59.6° | 53.7° |
| H51 | C5 | H52 | H53 | 116.9° | 120.0° |
| H61 | C6 | H62 | H63 | 116.5° | 120.0° |
| C8 | C7 | N1 | O2 | 177.4° | 180.0° |
| C7 | C8 | N2 | H81 | 125.2° | 120.0° |
| C7 | C8 | N2 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 117.3° | 120.1° |
| C7 | C8 | N2 | C9 | 59.1° | 89.2° |
| C7 | C8 | N2 | C12 | 119.6° | 91.2° |
| C8 | C7 | N1 | HN1 | 1.9° | 0.1° |
| N1 | C7 | C8 | N2 | 148.7° | 180.0° |
| N1 | C7 | C8 | H81 | 86.1° | 60.1° |
| N1 | C7 | C8 | H82 | 23.4° | 60.0° |
| O2 | C7 | C8 | N2 | 28.8° | 0.0° |
| O2 | C7 | C8 | H81 | 96.4° | 120.0° |
| O2 | C7 | C8 | H82 | 154.1° | 119.9° |
| O2 | C7 | N1 | HN1 | 175.6° | 180.0° |
| N2 | C8 | H81 | H82 | 117.3° | 120.0° |
| C8 | N2 | C9 | C10 | 178.9° | 180.0° |
| C8 | N2 | C9 | C12 | 178.7° | 179.7° |
| C8 | N2 | C9 | O3 | 0.5° | 0.0° |
| C8 | N2 | C12 | C13 | 6.0° | 0.4° |
| C8 | N2 | C12 | N3 | 175.2° | 179.7° |
| H81 | C8 | N2 | C9 | 175.6° | 30.8° |
| H81 | C8 | N2 | C12 | 5.6° | 148.9° |
| H82 | C8 | N2 | C9 | 66.1° | 150.9° |
| H82 | C8 | N2 | C12 | 115.1° | 28.8° |
| C10 | C9 | N2 | O3 | 179.4° | 180.0° |
| C9 | C10 | C11 | N4 | 179.8° | 179.9° |
| C9 | C10 | C11 | N3 | 6.7° | 0.0° |
| C9 | C10 | C11 | H11 | 173.3° | 179.9° |
| C10 | C9 | N2 | C12 | 0.2° | 0.3° |
| C9 | C10 | N4 | HN41 | 180.0° | 180.0° |
| C9 | C10 | N4 | HN42 | 54.8° | 0.1° |
| N2 | C9 | C10 | C11 | 6.0° | 0.1° |
| N2 | C9 | C10 | N4 | 174.2° | 180.0° |
| C9 | N2 | C12 | C13 | 172.7° | 179.9° |
| C9 | N2 | C12 | N3 | 6.1° | 0.7° |
| O3 | C9 | C10 | C11 | 174.6° | 180.0° |
| O3 | C9 | C10 | N4 | 5.2° | 0.1° |
| O3 | C9 | N2 | C12 | 179.2° | 179.7° |
| C10 | C11 | N3 | H11 | 180.0° | 179.9° |
| C10 | C11 | N3 | C12 | 0.8° | 0.4° |
| C11 | C10 | N4 | HN41 | 0.2° | 0.0° |
| C11 | C10 | N4 | HN42 | 125.4° | 180.0° |
| N4 | C10 | C11 | N3 | 173.5° | 179.9° |
| N4 | C10 | C11 | H11 | 6.5° | 0.0° |
| C10 | N4 | HN41 | HN42 | 125.2° | 180.0° |
| C11 | N3 | C12 | C13 | 173.1° | 180.0° |
| C11 | N3 | C12 | N2 | 5.8° | 0.7° |
| H11 | C11 | N3 | C12 | 179.3° | 179.7° |
| C13 | C12 | N2 | N3 | 178.8° | 179.3° |
| C12 | C13 | C14 | S1 | 177.7° | 179.8° |
| C12 | C13 | C14 | C15 | 178.4° | 179.7° |
| C12 | C13 | C14 | H14 | 1.6° | 0.2° |
| C12 | C13 | S1 | C16 | 176.7° | 179.9° |
| N2 | C12 | C13 | C14 | 137.2° | 162.7° |
| N2 | C12 | C13 | S1 | 45.2° | 17.5° |
| N3 | C12 | C13 | C14 | 43.9° | 18.0° |
| N3 | C12 | C13 | S1 | 133.6° | 161.8° |
| C13 | C14 | C15 | H14 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 3.0° | 0.5° |
| C13 | C14 | C15 | H15 | 177.0° | 179.8° |
| C14 | C13 | S1 | C16 | 1.3° | 0.2° |
| S1 | C13 | C14 | C15 | 0.7° | 0.4° |
| S1 | C13 | C14 | H14 | 179.3° | 179.9° |
| C13 | S1 | C16 | C15 | 2.9° | 0.0° |
| C13 | S1 | C16 | H16 | 177.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | S1 | 3.9° | 0.3° |
| C14 | C15 | C16 | H16 | 176.1° | 179.8° |
| H14 | C14 | C15 | C16 | 177.0° | 180.0° |
| H14 | C14 | C15 | H15 | 3.0° | 0.3° |
| C15 | C16 | S1 | H16 | 180.0° | 179.9° |
| H15 | C15 | C16 | S1 | 176.1° | 180.0° |
| H15 | C15 | C16 | H16 | 3.9° | 0.1° |
| C17 | N5 | C18 | C19 | 100.0° | 180.0° |
| C17 | N5 | C18 | HN5 | 180.0° | 180.0° |
| C17 | N5 | C18 | H181 | 25.3° | 60.0° |
| C17 | N5 | C18 | H182 | 134.7° | 60.1° |
| O4 | C17 | N5 | C18 | 28.0° | 0.1° |
| O4 | C17 | N5 | HN5 | 152.0° | 179.9° |
| C19 | C18 | N5 | H181 | 125.3° | 120.0° |
| C19 | C18 | N5 | H182 | 125.3° | 120.0° |
| C19 | C18 | H181 | H182 | 118.3° | 120.0° |
| C18 | C19 | N6 | H191 | 125.3° | 120.1° |
| C18 | C19 | N6 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H192 | 116.8° | 120.0° |
| C18 | C19 | N6 | C20 | 116.7° | 180.0° |
| C18 | C19 | N6 | C23 | 125.8° | 66.3° |
| C19 | C18 | N5 | HN5 | 80.0° | 0.0° |
| N5 | C18 | H181 | H182 | 118.3° | 120.0° |
| N5 | C18 | C19 | N6 | 172.5° | 180.0° |
| N5 | C18 | C19 | H191 | 47.3° | 60.0° |
| N5 | C18 | C19 | H192 | 62.3° | 60.0° |
| H181 | C18 | C19 | N6 | 47.2° | 60.1° |
| H181 | C18 | C19 | H191 | 78.0° | 180.0° |
| H181 | C18 | C19 | H192 | 172.5° | 59.9° |
| H181 | C18 | N5 | HN5 | 154.7° | 120.0° |
| H182 | C18 | C19 | N6 | 62.2° | 60.0° |
| H182 | C18 | C19 | H191 | 172.5° | 60.0° |
| H182 | C18 | C19 | H192 | 63.0° | 180.0° |
| H182 | C18 | N5 | HN5 | 45.3° | 120.0° |
| N6 | C19 | H191 | H192 | 116.7° | 119.9° |
| C19 | N6 | C20 | C21 | 177.6° | 173.1° |
| C19 | N6 | C20 | C23 | 118.9° | 113.8° |
| C19 | N6 | C20 | H201 | 57.1° | 53.0° |
| C19 | N6 | C20 | H202 | 52.4° | 66.9° |
| C19 | N6 | C23 | C22 | 176.9° | 173.1° |
| C19 | N6 | C23 | H231 | 51.7° | 66.9° |
| C19 | N6 | C23 | H232 | 57.8° | 53.1° |
| H191 | C19 | N6 | C20 | 118.1° | 59.9° |
| H191 | C19 | N6 | C23 | 0.6° | 53.8° |
| H192 | C19 | N6 | C20 | 8.6° | 60.0° |
| H192 | C19 | N6 | C23 | 108.9° | 173.7° |
| C21 | C20 | N6 | H201 | 125.3° | 120.1° |
| C21 | C20 | N6 | H202 | 125.3° | 120.0° |
| C21 | C20 | H201 | H202 | 117.8° | 120.0° |
| C20 | C21 | O5 | H211 | 125.3° | 120.1° |
| C20 | C21 | O5 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 117.4° | 119.9° |
| C20 | C21 | O5 | C22 | 57.5° | 63.2° |
| C21 | C20 | N6 | C23 | 58.7° | 59.3° |
| N6 | C20 | H201 | H202 | 117.8° | 119.9° |
| N6 | C20 | C21 | O5 | 59.8° | 62.9° |
| N6 | C20 | C21 | H211 | 174.9° | 177.1° |
| N6 | C20 | C21 | H212 | 65.5° | 57.1° |
| C20 | N6 | C23 | C22 | 58.1° | 59.2° |
| C20 | N6 | C23 | H231 | 67.1° | 179.3° |
| C20 | N6 | C23 | H232 | 176.7° | 60.8° |
| H201 | C20 | C21 | O5 | 174.9° | 57.1° |
| H201 | C20 | C21 | H211 | 49.6° | 62.9° |
| H201 | C20 | C21 | H212 | 59.8° | 177.2° |
| H201 | C20 | N6 | C23 | 176.0° | 60.8° |
| H202 | C20 | C21 | O5 | 65.4° | 177.1° |
| H202 | C20 | C21 | H211 | 59.8° | 57.1° |
| H202 | C20 | C21 | H212 | 169.3° | 62.9° |
| H202 | C20 | N6 | C23 | 66.5° | 179.3° |
| O5 | C21 | H211 | H212 | 117.4° | 119.9° |
| C21 | O5 | C22 | C23 | 57.5° | 63.2° |
| C21 | O5 | C22 | H221 | 67.8° | 176.8° |
| C21 | O5 | C22 | H222 | 177.2° | 56.9° |
| H211 | C21 | O5 | C22 | 177.2° | 176.8° |
| H212 | C21 | O5 | C22 | 67.8° | 56.9° |
| C23 | C22 | O5 | H221 | 125.3° | 120.1° |
| C23 | C22 | O5 | H222 | 125.3° | 120.1° |
| C23 | C22 | H221 | H222 | 117.2° | 119.8° |
| C22 | C23 | N6 | H231 | 125.2° | 120.1° |
| C22 | C23 | N6 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H232 | 117.9° | 120.0° |
| O5 | C22 | H221 | H222 | 117.1° | 120.0° |
| O5 | C22 | C23 | N6 | 59.3° | 62.9° |
| O5 | C22 | C23 | H231 | 65.9° | 177.1° |
| O5 | C22 | C23 | H232 | 175.5° | 57.1° |
| H221 | C22 | C23 | N6 | 66.0° | 177.0° |
| H221 | C22 | C23 | H231 | 168.8° | 57.0° |
| H221 | C22 | C23 | H232 | 59.3° | 63.0° |
| H222 | C22 | C23 | N6 | 175.4° | 57.2° |
| H222 | C22 | C23 | H231 | 59.4° | 62.8° |
| H222 | C22 | C23 | H232 | 50.2° | 177.3° |
| N6 | C23 | H231 | H232 | 117.9° | 120.0° |
