F29
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.35Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.46Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | N3 | sing | 1.36Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.37Å | 1.41Å | Aromatic |
| N3 | N7 | sing | 1.40Å | 1.46Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | C9 | doub | 1.40Å | 1.46Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.46Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| N7 | C8 | doub | 1.32Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.46Å | Aromatic |
| C8 | C11 | sing | 1.48Å | 1.46Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.47Å | Aromatic |
| C10 | C22 | sing | 1.39Å | 1.46Å | Aromatic |
| C10 | N26 | doub | 1.33Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.46Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.46Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.45Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.40Å | 1.46Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.41Å | 1.45Å | Aromatic |
| C23 | C27 | sing | 1.46Å | 1.44Å | Aromatic |
| C24 | N25 | doub | 1.33Å | 1.42Å | Aromatic |
| C24 | N29 | sing | 1.37Å | 1.42Å | Aromatic |
| N25 | N26 | sing | 1.29Å | 1.60Å | Aromatic |
| C27 | N28 | doub | 1.31Å | 1.41Å | Aromatic |
| C27 | N30 | sing | 1.40Å | 1.41Å | |
| N28 | N29 | sing | 1.40Å | 1.49Å | Aromatic |
| N29 | C3 | sing | 1.47Å | 1.42Å | |
| N30 | H301 | sing | 0.97Å | 1.02Å | |
| N30 | H302 | sing | 0.97Å | 1.02Å | |
| C3 | C7 | sing | 1.51Å | 1.45Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C7 | C17 | doub | 1.31Å | 1.45Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.10Å | |
| C17 | H172 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.0° | 120.4° |
| C2 | C1 | H1 | 121.3° | 119.8° |
| C1 | C2 | N3 | 120.0° | 120.7° |
| C1 | C2 | H2 | 121.4° | 119.6° |
| C6 | C1 | H1 | 121.7° | 119.8° |
| C1 | C6 | C5 | 121.0° | 119.5° |
| C1 | C6 | H6 | 119.4° | 120.2° |
| N3 | C2 | H2 | 118.6° | 119.7° |
| C2 | N3 | C4 | 125.7° | 120.1° |
| C2 | N3 | N7 | 124.9° | 132.0° |
| C4 | N3 | N7 | 109.5° | 107.9° |
| N3 | C4 | C5 | 115.5° | 120.1° |
| N3 | C4 | C9 | 108.4° | 107.2° |
| N3 | N7 | C8 | 106.0° | 109.2° |
| C5 | C4 | C9 | 136.0° | 132.8° |
| C4 | C5 | C6 | 120.7° | 119.3° |
| C4 | C5 | H5 | 119.8° | 120.4° |
| C4 | C9 | C8 | 105.4° | 107.1° |
| C4 | C9 | C10 | 125.7° | 126.5° |
| C6 | C5 | H5 | 119.5° | 120.3° |
| C5 | C6 | H6 | 119.5° | 120.3° |
| N7 | C8 | C9 | 110.6° | 108.6° |
| N7 | C8 | C11 | 115.6° | 125.7° |
| C9 | C8 | C11 | 133.8° | 125.7° |
| C8 | C9 | C10 | 128.9° | 126.4° |
| C8 | C11 | C12 | 119.9° | 120.1° |
| C8 | C11 | C16 | 125.6° | 120.1° |
| C9 | C10 | C22 | 123.0° | 120.0° |
| C9 | C10 | N26 | 124.3° | 120.0° |
| C22 | C10 | N26 | 112.7° | 119.9° |
| C10 | C22 | C23 | 124.6° | 117.4° |
| C10 | C22 | H22 | 117.8° | 121.3° |
| C10 | N26 | N25 | 122.8° | 122.9° |
| C12 | C11 | C16 | 114.5° | 119.7° |
| C11 | C12 | C13 | 123.2° | 119.9° |
| C11 | C12 | H12 | 118.8° | 120.0° |
| C11 | C16 | C15 | 123.2° | 119.9° |
| C11 | C16 | H16 | 118.9° | 120.0° |
| C13 | C12 | H12 | 118.1° | 120.1° |
| C12 | C13 | C14 | 120.4° | 120.1° |
| C12 | C13 | H13 | 120.0° | 119.9° |
| C14 | C13 | H13 | 119.6° | 120.0° |
| C13 | C14 | C15 | 118.2° | 120.3° |
| C13 | C14 | H14 | 120.9° | 119.9° |
| C15 | C14 | H14 | 120.9° | 119.8° |
| C14 | C15 | C16 | 120.4° | 120.1° |
| C14 | C15 | H15 | 119.7° | 119.9° |
| C16 | C15 | H15 | 119.8° | 119.9° |
| C15 | C16 | H16 | 117.9° | 120.1° |
| C23 | C22 | H22 | 117.6° | 121.3° |
| C22 | C23 | C24 | 124.5° | 118.4° |
| C22 | C23 | C27 | 126.9° | 135.0° |
| C24 | C23 | C27 | 108.0° | 106.5° |
| C23 | C24 | N25 | 113.9° | 119.3° |
| C23 | C24 | N29 | 109.6° | 106.5° |
| C23 | C27 | N28 | 107.1° | 107.5° |
| C23 | C27 | N30 | 127.9° | 126.3° |
| N25 | C24 | N29 | 135.4° | 134.1° |
| C24 | N25 | N26 | 121.5° | 122.0° |
| C24 | N29 | N28 | 105.1° | 109.4° |
| C24 | N29 | C3 | 133.7° | 125.3° |
| N28 | C27 | N30 | 124.6° | 126.2° |
| C27 | N28 | N29 | 110.1° | 110.1° |
| C27 | N30 | H301 | 105.8° | 120.0° |
| C27 | N30 | H302 | 127.9° | 119.9° |
| N28 | N29 | C3 | 118.6° | 125.3° |
| N29 | C3 | C7 | 116.3° | 109.4° |
| N29 | C3 | H31 | 109.7° | 109.4° |
| N29 | C3 | H32 | 109.7° | 109.5° |
| H301 | N30 | H302 | 105.8° | 120.0° |
| C7 | C3 | H31 | 109.8° | 109.5° |
| C7 | C3 | H32 | 109.7° | 109.5° |
| C3 | C7 | C17 | 126.1° | 120.0° |
| C3 | C7 | H7 | 116.9° | 120.0° |
| H31 | C3 | H32 | 100.4° | 109.5° |
| C17 | C7 | H7 | 117.1° | 120.0° |
| C7 | C17 | H171 | 126.1° | 120.0° |
| C7 | C17 | H172 | 117.1° | 120.0° |
| H171 | C17 | H172 | 116.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | N3 | H2 | 180.0° | 180.0° |
| C1 | C2 | N3 | C4 | 1.5° | 0.0° |
| C1 | C2 | N3 | N7 | 176.6° | 179.9° |
| C2 | C1 | C6 | C5 | 1.1° | 0.0° |
| C2 | C1 | C6 | H6 | 178.9° | 180.0° |
| C6 | C1 | C2 | N3 | 1.1° | 0.0° |
| C6 | C1 | C2 | H2 | 178.9° | 180.0° |
| C1 | C6 | C5 | C4 | 1.3° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 178.7° | 180.0° |
| H1 | C1 | C2 | N3 | 178.9° | 180.0° |
| H1 | C1 | C2 | H2 | 1.1° | 0.0° |
| H1 | C1 | C6 | C5 | 178.8° | 180.0° |
| H1 | C1 | C6 | H6 | 1.1° | 0.0° |
| C2 | N3 | C4 | N7 | 178.3° | 179.9° |
| C2 | N3 | C4 | C5 | 3.9° | 0.0° |
| C2 | N3 | C4 | C9 | 178.0° | 179.9° |
| C2 | N3 | N7 | C8 | 179.4° | 179.7° |
| H2 | C2 | N3 | C4 | 178.4° | 180.0° |
| H2 | C2 | N3 | N7 | 3.5° | 0.1° |
| N3 | C4 | C5 | C9 | 177.4° | 179.9° |
| N3 | C4 | C5 | C6 | 3.7° | 0.0° |
| N3 | C4 | C5 | H5 | 176.3° | 180.0° |
| C4 | N3 | N7 | C8 | 2.3° | 0.2° |
| N3 | C4 | C9 | C8 | 3.5° | 0.2° |
| N3 | C4 | C9 | C10 | 174.3° | 180.0° |
| N7 | N3 | C4 | C5 | 174.5° | 179.9° |
| N7 | N3 | C4 | C9 | 3.7° | 0.0° |
| N3 | N7 | C8 | C9 | 0.0° | 0.4° |
| N3 | N7 | C8 | C11 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 178.7° | 180.0° |
| C5 | C4 | C9 | C8 | 174.0° | 179.7° |
| C5 | C4 | C9 | C10 | 8.2° | 0.1° |
| C9 | C4 | C5 | C6 | 178.9° | 180.0° |
| C9 | C4 | C5 | H5 | 1.1° | 0.1° |
| C4 | C9 | C8 | N7 | 2.2° | 0.4° |
| C4 | C9 | C8 | C10 | 177.7° | 179.8° |
| C4 | C9 | C8 | C11 | 178.0° | 180.0° |
| C4 | C9 | C10 | C22 | 129.0° | 47.2° |
| C4 | C9 | C10 | N26 | 52.3° | 132.7° |
| H5 | C5 | C6 | H6 | 1.3° | 0.0° |
| N7 | C8 | C9 | C11 | 179.8° | 179.6° |
| N7 | C8 | C9 | C10 | 175.6° | 179.8° |
| N7 | C8 | C11 | C12 | 30.5° | 137.9° |
| N7 | C8 | C11 | C16 | 149.8° | 41.9° |
| C8 | C9 | C10 | C22 | 53.7° | 133.1° |
| C8 | C9 | C10 | N26 | 125.0° | 47.0° |
| C9 | C8 | C11 | C12 | 149.7° | 41.7° |
| C9 | C8 | C11 | C16 | 30.0° | 138.6° |
| C11 | C8 | C9 | C10 | 4.3° | 0.2° |
| C8 | C11 | C12 | C16 | 179.7° | 179.7° |
| C8 | C11 | C12 | C13 | 179.3° | 180.0° |
| C8 | C11 | C12 | H12 | 0.7° | 0.1° |
| C8 | C11 | C16 | C15 | 177.5° | 179.8° |
| C8 | C11 | C16 | H16 | 2.5° | 0.2° |
| C9 | C10 | C22 | N26 | 178.9° | 179.9° |
| C9 | C10 | C22 | C23 | 179.1° | 179.8° |
| C9 | C10 | C22 | H22 | 0.9° | 0.1° |
| C9 | C10 | N26 | N25 | 178.9° | 179.9° |
| C10 | C22 | C23 | H22 | 180.0° | 179.7° |
| C10 | C22 | C23 | C24 | 1.0° | 0.5° |
| C10 | C22 | C23 | C27 | 170.8° | 179.6° |
| C22 | C10 | N26 | N25 | 0.1° | 0.0° |
| N26 | C10 | C22 | C23 | 0.2° | 0.3° |
| N26 | C10 | C22 | H22 | 179.8° | 180.0° |
| C10 | N26 | N25 | C24 | 1.2° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.5° | 0.0° |
| C11 | C12 | C13 | H13 | 178.5° | 180.0° |
| C12 | C11 | C16 | C15 | 2.2° | 0.5° |
| C12 | C11 | C16 | H16 | 177.8° | 180.0° |
| C16 | C11 | C12 | C13 | 0.5° | 0.3° |
| C16 | C11 | C12 | H12 | 179.6° | 179.8° |
| C11 | C16 | C15 | C14 | 2.0° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.6° |
| C11 | C16 | C15 | H15 | 178.0° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.7° | 0.0° |
| C12 | C13 | C14 | H14 | 178.3° | 180.0° |
| H12 | C12 | C13 | C14 | 178.5° | 179.9° |
| H12 | C12 | C13 | H13 | 1.5° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.2° |
| C13 | C14 | C15 | H15 | 179.9° | 179.9° |
| H13 | C13 | C14 | C15 | 178.2° | 180.0° |
| H13 | C13 | C14 | H14 | 1.7° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 178.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 179.8° |
| H14 | C14 | C15 | H15 | 0.0° | 0.1° |
| H15 | C15 | C16 | H16 | 2.0° | 0.1° |
| C22 | C23 | C24 | C27 | 171.5° | 179.3° |
| C22 | C23 | C24 | N25 | 2.1° | 0.5° |
| C22 | C23 | C24 | N29 | 168.0° | 179.7° |
| C22 | C23 | C27 | N28 | 169.1° | 179.5° |
| C22 | C23 | C27 | N30 | 4.1° | 0.8° |
| H22 | C22 | C23 | C24 | 179.0° | 179.8° |
| H22 | C22 | C23 | C27 | 9.2° | 0.7° |
| C23 | C24 | N25 | N29 | 166.6° | 179.8° |
| C23 | C24 | N25 | N26 | 2.2° | 0.2° |
| C24 | C23 | C27 | N28 | 2.1° | 0.4° |
| C24 | C23 | C27 | N30 | 175.3° | 179.9° |
| C23 | C24 | N29 | N28 | 3.3° | 0.2° |
| C23 | C24 | N29 | C3 | 157.6° | 179.8° |
| C27 | C23 | C24 | N25 | 173.6° | 179.8° |
| C27 | C23 | C24 | N29 | 3.5° | 0.4° |
| C23 | C27 | N28 | N30 | 173.4° | 179.7° |
| C23 | C27 | N28 | N29 | 0.1° | 0.2° |
| C23 | C27 | N30 | H301 | 54.8° | 179.6° |
| C23 | C27 | N30 | H302 | 180.0° | 0.6° |
| N25 | C24 | N29 | N28 | 170.4° | 179.9° |
| N25 | C24 | N29 | C3 | 9.5° | 0.1° |
| N29 | C24 | N25 | N26 | 164.5° | 180.0° |
| C24 | N29 | N28 | C27 | 2.0° | 0.0° |
| C24 | N29 | N28 | C3 | 164.4° | 180.0° |
| C24 | N29 | C3 | C7 | 76.6° | 90.0° |
| C24 | N29 | C3 | H31 | 158.1° | 30.0° |
| C24 | N29 | C3 | H32 | 48.6° | 150.0° |
| C27 | N28 | N29 | C3 | 162.3° | 180.0° |
| N28 | C27 | N30 | H301 | 117.3° | 0.0° |
| N28 | C27 | N30 | H302 | 8.0° | 179.8° |
| N30 | C27 | N28 | N29 | 173.5° | 180.0° |
| C27 | N30 | H301 | H302 | 137.9° | 179.8° |
| N28 | N29 | C3 | C7 | 82.3° | 90.0° |
| N28 | N29 | C3 | H31 | 43.0° | 150.0° |
| N28 | N29 | C3 | H32 | 152.5° | 30.0° |
| N29 | C3 | C7 | H31 | 125.3° | 119.9° |
| N29 | C3 | C7 | H32 | 125.2° | 120.0° |
| N29 | C3 | H31 | H32 | 115.5° | 120.0° |
| N29 | C3 | C7 | C17 | 10.3° | 125.0° |
| N29 | C3 | C7 | H7 | 169.8° | 55.0° |
| C7 | C3 | H31 | H32 | 115.5° | 120.1° |
| C3 | C7 | C17 | H7 | 180.0° | 179.9° |
| C3 | C7 | C17 | H171 | 180.0° | 0.0° |
| C3 | C7 | C17 | H172 | 0.0° | 180.0° |
| H31 | C3 | C7 | C17 | 115.0° | 5.1° |
| H31 | C3 | C7 | H7 | 65.0° | 175.0° |
| H32 | C3 | C7 | C17 | 135.5° | 115.0° |
| H32 | C3 | C7 | H7 | 44.5° | 64.9° |
| C7 | C17 | H171 | H172 | 180.0° | 180.0° |
| H7 | C7 | C17 | H171 | 0.0° | 180.0° |
| H7 | C7 | C17 | H172 | 180.0° | 0.0° |
