DA7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | F | sing | 1.35Å | 1.39Å | |
| C5 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| N10 | C14 | doub | 1.33Å | 1.31Å | Aromatic |
| N10 | C12 | sing | 1.33Å | 1.32Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C12 | sing | 1.46Å | 1.44Å | Aromatic |
| C4 | C15 | sing | 1.47Å | 1.55Å | |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C2 | C1 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.42Å | 1.43Å | Aromatic |
| C13 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.42Å | 1.44Å | Aromatic |
| C11 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | N9 | sing | 1.38Å | 1.35Å | |
| N9 | HN91 | sing | 0.97Å | 1.02Å | |
| N9 | HN92 | sing | 0.97Å | 1.02Å | |
| C15 | O15 | doub | 1.22Å | 1.24Å | |
| C15 | N16 | sing | 1.35Å | 1.36Å | |
| N16 | C17 | sing | 1.46Å | 1.47Å | |
| N16 | H16 | sing | 0.97Å | 1.02Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | N19 | sing | 1.47Å | 1.50Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| N19 | C20 | sing | 1.47Å | 1.49Å | |
| N19 | C21 | sing | 1.47Å | 1.49Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C13 | 121.0° | 119.7° |
| C7 | C8 | H8 | 118.7° | 120.1° |
| C8 | C7 | C6 | 120.0° | 120.9° |
| C8 | C7 | H7 | 120.2° | 119.6° |
| C13 | C8 | H8 | 120.3° | 120.2° |
| C8 | C13 | C14 | 117.8° | 119.7° |
| C8 | C13 | C9 | 123.2° | 120.9° |
| C6 | C7 | H7 | 119.8° | 119.5° |
| C7 | C6 | C5 | 120.5° | 121.1° |
| C7 | C6 | H6 | 119.6° | 119.5° |
| C5 | C6 | H6 | 120.0° | 119.5° |
| C6 | C5 | F | 118.5° | 120.1° |
| C6 | C5 | C14 | 119.9° | 119.8° |
| F | C5 | C14 | 120.6° | 120.1° |
| C5 | C14 | N10 | 118.4° | 120.4° |
| C5 | C14 | C13 | 120.0° | 118.8° |
| C14 | N10 | C12 | 123.0° | 121.8° |
| N10 | C14 | C13 | 121.3° | 120.8° |
| N10 | C12 | C4 | 117.5° | 120.6° |
| N10 | C12 | C11 | 120.3° | 121.0° |
| C3 | C4 | C12 | 117.1° | 118.7° |
| C3 | C4 | C15 | 121.8° | 120.6° |
| C4 | C3 | C2 | 121.2° | 120.7° |
| C4 | C3 | H3 | 120.5° | 119.6° |
| C12 | C4 | C15 | 120.8° | 120.6° |
| C4 | C12 | C11 | 121.4° | 118.4° |
| C4 | C15 | O15 | 119.3° | 120.0° |
| C4 | C15 | N16 | 122.1° | 120.0° |
| C2 | C3 | H3 | 118.4° | 119.7° |
| C3 | C2 | C1 | 121.5° | 121.7° |
| C3 | C2 | H2 | 119.3° | 119.2° |
| C1 | C2 | H2 | 119.2° | 119.1° |
| C2 | C1 | C11 | 121.9° | 120.7° |
| C2 | C1 | H1 | 117.9° | 119.6° |
| C11 | C1 | H1 | 120.2° | 119.6° |
| C1 | C11 | C12 | 116.4° | 119.7° |
| C1 | C11 | C9 | 124.8° | 121.0° |
| C14 | C13 | C9 | 118.4° | 119.4° |
| C13 | C9 | C11 | 117.5° | 117.7° |
| C13 | C9 | N9 | 116.9° | 121.2° |
| C12 | C11 | C9 | 118.7° | 119.3° |
| C11 | C9 | N9 | 124.8° | 121.1° |
| C9 | N9 | HN91 | 116.9° | 119.9° |
| C9 | N9 | HN92 | 109.5° | 120.0° |
| HN91 | N9 | HN92 | 109.6° | 120.0° |
| O15 | C15 | N16 | 118.6° | 120.0° |
| C15 | N16 | C17 | 122.6° | 120.1° |
| C15 | N16 | H16 | 114.4° | 120.0° |
| C17 | N16 | H16 | 123.0° | 119.9° |
| N16 | C17 | C18 | 113.8° | 109.5° |
| N16 | C17 | H171 | 110.6° | 109.5° |
| N16 | C17 | H172 | 110.7° | 109.4° |
| C18 | C17 | H171 | 110.6° | 109.5° |
| C18 | C17 | H172 | 110.6° | 109.5° |
| C17 | C18 | N19 | 115.8° | 109.5° |
| C17 | C18 | H181 | 109.9° | 109.5° |
| C17 | C18 | H182 | 109.9° | 109.4° |
| H171 | C17 | H172 | 99.6° | 109.4° |
| N19 | C18 | H181 | 109.9° | 109.5° |
| N19 | C18 | H182 | 109.9° | 109.5° |
| C18 | N19 | C20 | 112.4° | 106.7° |
| C18 | N19 | C21 | 112.7° | 106.7° |
| H181 | C18 | H182 | 100.3° | 109.5° |
| C20 | N19 | C21 | 111.0° | 106.7° |
| N19 | C20 | H201 | 112.5° | 109.5° |
| N19 | C20 | H202 | 111.2° | 109.4° |
| N19 | C20 | H203 | 111.2° | 109.5° |
| N19 | C21 | H211 | 112.7° | 109.5° |
| N19 | C21 | H212 | 111.0° | 109.5° |
| N19 | C21 | H213 | 111.0° | 109.4° |
| H201 | C20 | H202 | 111.1° | 109.5° |
| H201 | C20 | H203 | 111.1° | 109.5° |
| H202 | C20 | H203 | 99.2° | 109.5° |
| H211 | C21 | H212 | 111.0° | 109.5° |
| H211 | C21 | H213 | 111.1° | 109.5° |
| H212 | C21 | H213 | 99.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C13 | H8 | 180.0° | 179.9° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 6.6° | 0.0° |
| C8 | C7 | C6 | H6 | 173.4° | 180.0° |
| C7 | C8 | C13 | C14 | 4.5° | 0.0° |
| C7 | C8 | C13 | C9 | 175.7° | 180.0° |
| C13 | C8 | C7 | C6 | 4.2° | 0.0° |
| C13 | C8 | C7 | H7 | 175.8° | 180.0° |
| C8 | C13 | C14 | C5 | 7.5° | 0.1° |
| C8 | C13 | C14 | N10 | 179.0° | 180.0° |
| C8 | C13 | C14 | C9 | 171.6° | 180.0° |
| C8 | C13 | C9 | C11 | 179.9° | 180.0° |
| C8 | C13 | C9 | N9 | 9.7° | 0.0° |
| H8 | C8 | C7 | C6 | 175.8° | 179.9° |
| H8 | C8 | C7 | H7 | 4.2° | 0.1° |
| H8 | C8 | C13 | C14 | 175.5° | 180.0° |
| H8 | C8 | C13 | C9 | 4.3° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | F | 178.4° | 179.9° |
| C7 | C6 | C5 | C14 | 9.6° | 0.0° |
| H7 | C7 | C6 | C5 | 173.3° | 180.0° |
| H7 | C7 | C6 | H6 | 6.7° | 0.0° |
| C6 | C5 | F | C14 | 168.7° | 179.9° |
| C6 | C5 | C14 | N10 | 176.2° | 179.9° |
| C6 | C5 | C14 | C13 | 10.1° | 0.1° |
| H6 | C6 | C5 | F | 1.5° | 0.1° |
| H6 | C6 | C5 | C14 | 170.3° | 180.0° |
| F | C5 | C14 | N10 | 7.7° | 0.1° |
| F | C5 | C14 | C13 | 178.6° | 180.0° |
| C5 | C14 | N10 | C13 | 173.6° | 179.9° |
| C5 | C14 | N10 | C12 | 172.6° | 179.8° |
| C5 | C14 | C13 | C9 | 179.1° | 179.9° |
| C14 | N10 | C12 | C4 | 177.3° | 179.8° |
| N10 | C14 | C13 | C9 | 7.4° | 0.0° |
| C14 | N10 | C12 | C11 | 7.4° | 0.5° |
| N10 | C12 | C4 | C3 | 177.2° | 179.7° |
| N10 | C12 | C4 | C11 | 169.8° | 179.2° |
| N10 | C12 | C4 | C15 | 8.7° | 0.6° |
| N10 | C12 | C11 | C1 | 177.2° | 179.7° |
| C12 | N10 | C14 | C13 | 1.1° | 0.3° |
| N10 | C12 | C11 | C9 | 5.1° | 0.5° |
| C3 | C4 | C12 | C15 | 174.1° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.0° |
| C4 | C3 | C2 | H2 | 179.2° | 179.9° |
| C3 | C4 | C12 | C11 | 7.5° | 0.5° |
| C3 | C4 | C15 | O15 | 170.8° | 180.0° |
| C3 | C4 | C15 | N16 | 11.3° | 0.1° |
| C12 | C4 | C3 | C2 | 3.9° | 0.2° |
| C12 | C4 | C3 | H3 | 176.1° | 179.8° |
| C4 | C12 | C11 | C1 | 7.7° | 0.5° |
| C4 | C12 | C11 | C9 | 174.6° | 179.7° |
| C12 | C4 | C15 | O15 | 15.5° | 0.3° |
| C12 | C4 | C15 | N16 | 162.5° | 179.7° |
| C15 | C4 | C3 | C2 | 177.9° | 179.9° |
| C15 | C4 | C3 | H3 | 2.1° | 0.1° |
| C15 | C4 | C12 | C11 | 178.5° | 179.8° |
| C4 | C15 | O15 | N16 | 178.0° | 180.0° |
| C4 | C15 | N16 | C17 | 177.1° | 180.0° |
| C4 | C15 | N16 | H16 | 2.8° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C11 | 1.2° | 0.0° |
| C3 | C2 | C1 | H1 | 178.8° | 179.9° |
| H3 | C3 | C2 | C1 | 179.1° | 180.0° |
| H3 | C3 | C2 | H2 | 0.8° | 0.1° |
| C2 | C1 | C11 | H1 | 180.0° | 180.0° |
| C2 | C1 | C11 | C12 | 4.5° | 0.2° |
| C2 | C1 | C11 | C9 | 178.0° | 180.0° |
| H2 | C2 | C1 | C11 | 178.8° | 179.9° |
| H2 | C2 | C1 | H1 | 1.2° | 0.0° |
| C1 | C11 | C9 | C13 | 174.4° | 180.0° |
| C1 | C11 | C12 | C9 | 177.6° | 179.8° |
| C1 | C11 | C9 | N9 | 5.1° | 0.0° |
| H1 | C1 | C11 | C12 | 175.5° | 179.8° |
| H1 | C1 | C11 | C9 | 2.0° | 0.0° |
| C14 | C13 | C9 | C11 | 9.0° | 0.0° |
| C14 | C13 | C9 | N9 | 179.1° | 180.0° |
| C13 | C9 | C11 | C12 | 3.1° | 0.2° |
| C13 | C9 | C11 | N9 | 169.3° | 180.0° |
| C13 | C9 | N9 | HN91 | 180.0° | 0.0° |
| C13 | C9 | N9 | HN92 | 54.8° | 180.0° |
| C12 | C11 | C9 | N9 | 172.3° | 179.8° |
| C11 | C9 | N9 | HN91 | 10.6° | 180.0° |
| C11 | C9 | N9 | HN92 | 135.9° | 0.0° |
| C9 | N9 | HN91 | HN92 | 125.2° | 180.0° |
| O15 | C15 | N16 | C17 | 4.9° | 0.1° |
| O15 | C15 | N16 | H16 | 175.1° | 180.0° |
| C15 | N16 | C17 | H16 | 180.0° | 179.9° |
| C15 | N16 | C17 | C18 | 101.9° | 180.0° |
| C15 | N16 | C17 | H171 | 132.9° | 59.9° |
| C15 | N16 | C17 | H172 | 23.4° | 60.0° |
| N16 | C17 | C18 | H171 | 125.3° | 120.1° |
| N16 | C17 | C18 | H172 | 125.3° | 120.0° |
| N16 | C17 | H171 | H172 | 116.5° | 119.9° |
| N16 | C17 | C18 | N19 | 45.6° | 180.0° |
| N16 | C17 | C18 | H181 | 170.9° | 59.9° |
| N16 | C17 | C18 | H182 | 79.6° | 60.1° |
| H16 | N16 | C17 | C18 | 78.1° | 0.1° |
| H16 | N16 | C17 | H171 | 47.1° | 120.0° |
| H16 | N16 | C17 | H172 | 156.6° | 120.1° |
| C18 | C17 | H171 | H172 | 116.5° | 120.0° |
| C17 | C18 | N19 | H181 | 125.3° | 120.1° |
| C17 | C18 | N19 | H182 | 125.3° | 119.9° |
| C17 | C18 | H181 | H182 | 115.7° | 119.9° |
| C17 | C18 | N19 | C20 | 81.0° | 180.0° |
| C17 | C18 | N19 | C21 | 152.6° | 66.2° |
| H171 | C17 | C18 | N19 | 79.6° | 59.9° |
| H171 | C17 | C18 | H181 | 45.6° | 180.0° |
| H171 | C17 | C18 | H182 | 155.1° | 60.0° |
| H172 | C17 | C18 | N19 | 170.9° | 60.0° |
| H172 | C17 | C18 | H181 | 63.8° | 60.1° |
| H172 | C17 | C18 | H182 | 45.7° | 179.9° |
| N19 | C18 | H181 | H182 | 115.7° | 120.0° |
| C18 | N19 | C20 | C21 | 127.3° | 113.8° |
| C18 | N19 | C20 | H201 | 180.0° | 180.0° |
| C18 | N19 | C20 | H202 | 54.7° | 60.0° |
| C18 | N19 | C20 | H203 | 54.8° | 59.9° |
| C18 | N19 | C21 | H211 | 180.0° | 66.2° |
| C18 | N19 | C21 | H212 | 54.8° | 173.8° |
| C18 | N19 | C21 | H213 | 54.7° | 53.8° |
| H181 | C18 | N19 | C20 | 44.3° | 59.9° |
| H181 | C18 | N19 | C21 | 82.1° | 53.9° |
| H182 | C18 | N19 | C20 | 153.7° | 60.1° |
| H182 | C18 | N19 | C21 | 27.3° | 173.8° |
| N19 | C20 | H201 | H202 | 125.3° | 120.0° |
| N19 | C20 | H201 | H203 | 125.3° | 120.1° |
| N19 | C20 | H202 | H203 | 117.0° | 120.0° |
| C20 | N19 | C21 | H211 | 52.8° | 180.0° |
| C20 | N19 | C21 | H212 | 72.4° | 60.0° |
| C20 | N19 | C21 | H213 | 178.1° | 60.0° |
| C21 | N19 | C20 | H201 | 52.7° | 66.2° |
| C21 | N19 | C20 | H202 | 178.0° | 173.8° |
| C21 | N19 | C20 | H203 | 72.6° | 53.8° |
| N19 | C21 | H211 | H212 | 125.2° | 120.0° |
| N19 | C21 | H211 | H213 | 125.3° | 120.0° |
| N19 | C21 | H212 | H213 | 116.9° | 119.9° |
| H201 | C20 | H202 | H203 | 116.9° | 120.0° |
| H211 | C21 | H212 | H213 | 116.9° | 120.0° |
