F02
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C12 | sing | 1.48Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.39Å | 1.33Å | |
| N7 | C8 | sing | 1.47Å | 1.48Å | |
| N7 | C10 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | O13 | doub | 1.22Å | 1.24Å | |
| C12 | N14 | sing | 1.35Å | 1.34Å | |
| N14 | N15 | sing | 1.37Å | 1.38Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| N15 | HN15 | sing | 1.01Å | 1.00Å | |
| N15 | HN1A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.7° | 119.9° |
| C1 | C2 | C3 | 118.8° | 119.9° |
| C1 | C2 | C12 | 120.1° | 120.0° |
| C2 | C1 | H1 | 118.6° | 120.1° |
| C1 | C6 | C5 | 118.0° | 120.1° |
| C6 | C1 | H1 | 118.7° | 120.0° |
| C1 | C6 | H6 | 121.0° | 120.0° |
| C3 | C2 | C12 | 121.1° | 120.1° |
| C2 | C3 | C4 | 118.9° | 119.9° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C2 | C12 | O13 | 116.9° | 120.1° |
| C2 | C12 | N14 | 120.9° | 120.0° |
| C3 | C4 | C5 | 122.8° | 120.1° |
| C4 | C3 | H3 | 120.6° | 120.0° |
| C3 | C4 | H4 | 118.6° | 120.0° |
| C4 | C5 | C6 | 118.8° | 120.1° |
| C4 | C5 | N7 | 121.2° | 120.0° |
| C5 | C4 | H4 | 118.6° | 120.0° |
| C6 | C5 | N7 | 119.9° | 119.9° |
| C5 | C6 | H6 | 121.0° | 120.0° |
| C5 | N7 | C8 | 119.7° | 120.0° |
| C5 | N7 | C10 | 122.0° | 120.0° |
| C8 | N7 | C10 | 118.4° | 120.0° |
| N7 | C8 | C9 | 106.5° | 109.5° |
| N7 | C8 | H8 | 110.5° | 109.5° |
| N7 | C8 | H8A | 110.5° | 109.5° |
| N7 | C10 | C11 | 110.1° | 109.5° |
| N7 | C10 | H10 | 109.3° | 109.4° |
| N7 | C10 | H10A | 109.3° | 109.5° |
| C9 | C8 | H8 | 110.5° | 109.5° |
| C9 | C8 | H8A | 110.5° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C8 | C9 | H9B | 109.4° | 109.5° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C11 | C10 | H10A | 109.2° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.5° |
| C10 | C11 | H11B | 109.5° | 109.4° |
| O13 | C12 | N14 | 122.2° | 119.9° |
| C12 | N14 | N15 | 120.8° | 120.0° |
| C12 | N14 | HN14 | 119.6° | 120.0° |
| N15 | N14 | HN14 | 119.6° | 120.0° |
| N14 | N15 | HN15 | 109.5° | 111.0° |
| N14 | N15 | HN1A | 109.5° | 111.0° |
| H8 | C8 | H8A | 108.4° | 109.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.4° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.7° | 109.4° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.4° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| HN15 | N15 | HN1A | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | C12 | 178.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C1 | C2 | C12 | O13 | 0.7° | 0.0° |
| C1 | C2 | C12 | N14 | 179.2° | 180.0° |
| C1 | C2 | C3 | H3 | 179.2° | 180.0° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | C12 | 178.1° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | N7 | 176.5° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C2 | C12 | O13 | 179.1° | 180.0° |
| C3 | C2 | C12 | N14 | 0.7° | 0.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.7° |
| C2 | C3 | C4 | H4 | 178.9° | 180.0° |
| C12 | C2 | C3 | C4 | 177.7° | 180.0° |
| C2 | C12 | O13 | N14 | 179.9° | 180.0° |
| C2 | C12 | N14 | N15 | 178.5° | 180.0° |
| C12 | C2 | C1 | H1 | 1.9° | 0.4° |
| C12 | C2 | C3 | H3 | 2.3° | 0.0° |
| C2 | C12 | N14 | HN14 | 1.5° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | N7 | 176.9° | 179.9° |
| C4 | C5 | C6 | N7 | 176.0° | 179.9° |
| C4 | C5 | N7 | C8 | 170.1° | 180.0° |
| C4 | C5 | N7 | C10 | 11.3° | 0.1° |
| C5 | C4 | C3 | H3 | 178.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C6 | C5 | N7 | C8 | 14.0° | 0.0° |
| C6 | C5 | N7 | C10 | 164.6° | 180.0° |
| C5 | C6 | C1 | H1 | 179.7° | 179.7° |
| C6 | C5 | C4 | H4 | 179.1° | 180.0° |
| C5 | N7 | C8 | C10 | 178.7° | 180.0° |
| C5 | N7 | C8 | C9 | 171.6° | 90.0° |
| C5 | N7 | C10 | C11 | 80.4° | 90.0° |
| N7 | C5 | C4 | H4 | 3.1° | 0.1° |
| N7 | C5 | C6 | H6 | 3.5° | 0.1° |
| C5 | N7 | C8 | H8 | 68.4° | 150.0° |
| C5 | N7 | C8 | H8A | 51.6° | 30.0° |
| C5 | N7 | C10 | H10 | 39.6° | 150.0° |
| C5 | N7 | C10 | H10A | 159.6° | 30.1° |
| N7 | C8 | C9 | H8 | 120.0° | 120.1° |
| N7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C8 | N7 | C10 | C11 | 98.2° | 90.0° |
| N7 | C8 | H8 | H8A | 121.2° | 120.0° |
| N7 | C8 | C9 | H9 | 180.0° | 60.0° |
| N7 | C8 | C9 | H9A | 60.0° | 180.0° |
| N7 | C8 | C9 | H9B | 60.0° | 59.9° |
| C8 | N7 | C10 | H10 | 141.8° | 30.0° |
| C8 | N7 | C10 | H10A | 21.7° | 149.9° |
| C10 | N7 | C8 | C9 | 7.1° | 90.1° |
| N7 | C10 | C11 | H10 | 120.0° | 119.9° |
| N7 | C10 | C11 | H10A | 120.0° | 120.0° |
| C10 | N7 | C8 | H8 | 112.9° | 30.0° |
| C10 | N7 | C8 | H8A | 127.0° | 150.0° |
| N7 | C10 | H10 | H10A | 119.8° | 119.9° |
| N7 | C10 | C11 | H11 | 180.0° | 60.0° |
| N7 | C10 | C11 | H11A | 60.0° | 60.0° |
| N7 | C10 | C11 | H11B | 60.0° | 180.0° |
| C9 | C8 | H8 | H8A | 121.2° | 120.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.0° |
| C8 | C9 | H9A | H9B | 120.0° | 120.0° |
| C11 | C10 | H10 | H10A | 119.7° | 120.1° |
| C10 | C11 | H11 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| O13 | C12 | N14 | N15 | 1.7° | 0.0° |
| O13 | C12 | N14 | HN14 | 178.3° | 180.0° |
| C12 | N14 | N15 | HN14 | 180.0° | 180.0° |
| C12 | N14 | N15 | HN15 | 180.0° | 180.0° |
| C12 | N14 | N15 | HN1A | 60.0° | 56.0° |
| N14 | N15 | HN15 | HN1A | 120.0° | 124.0° |
| H1 | C1 | C6 | H6 | 0.3° | 0.3° |
| H3 | C3 | C4 | H4 | 1.1° | 0.0° |
| H8 | C8 | C9 | H9 | 60.0° | 60.0° |
| H8 | C8 | C9 | H9A | 180.0° | 60.0° |
| H8 | C8 | C9 | H9B | 60.0° | 180.0° |
| H8A | C8 | C9 | H9 | 60.0° | 180.0° |
| H8A | C8 | C9 | H9A | 60.0° | 60.0° |
| H8A | C8 | C9 | H9B | 180.0° | 60.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 60.0° | 180.0° |
| H10 | C10 | C11 | H11A | 180.0° | 59.9° |
| H10 | C10 | C11 | H11B | 60.0° | 60.0° |
| H10A | C10 | C11 | H11 | 60.0° | 60.0° |
| H10A | C10 | C11 | H11A | 60.0° | 180.0° |
| H10A | C10 | C11 | H11B | 180.0° | 60.0° |
| H11 | C11 | H11A | H11B | 119.9° | 120.0° |
| HN14 | N14 | N15 | HN15 | 0.0° | 0.0° |
| HN14 | N14 | N15 | HN1A | 120.0° | 124.0° |
