F0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C13 | sing | 1.40Å | 1.35Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | N1 | sing | 1.46Å | 1.48Å | |
| O2 | C4 | doub | 1.22Å | 1.24Å | |
| N1 | C4 | sing | 1.35Å | 1.36Å | |
| N1 | C5 | sing | 1.47Å | 1.49Å | |
| C4 | N | sing | 1.35Å | 1.37Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | O | sing | 1.45Å | 1.43Å | |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| O | C2 | sing | 1.34Å | 1.33Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| N | C3 | sing | 1.46Å | 1.46Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C13 | C14 | 124.2° | 120.1° |
| N2 | C13 | C12 | 117.4° | 120.1° |
| C13 | N2 | H20 | 109.5° | 120.0° |
| C13 | N2 | H21 | 109.5° | 120.0° |
| C14 | C13 | C12 | 118.4° | 119.8° |
| C13 | C14 | C15 | 120.0° | 119.9° |
| C13 | C14 | H22 | 120.0° | 120.0° |
| C13 | C12 | C11 | 121.0° | 120.0° |
| C13 | C12 | H19 | 119.5° | 120.0° |
| C14 | C15 | C10 | 119.7° | 120.1° |
| C15 | C14 | H22 | 120.0° | 120.0° |
| C14 | C15 | H23 | 120.2° | 120.0° |
| C12 | C11 | C10 | 121.0° | 120.1° |
| C12 | C11 | H18 | 119.5° | 119.9° |
| C11 | C12 | H19 | 119.5° | 120.0° |
| C15 | C10 | C11 | 119.9° | 120.1° |
| C15 | C10 | C9 | 123.9° | 119.9° |
| C10 | C15 | H23 | 120.1° | 119.9° |
| C11 | C10 | C9 | 116.3° | 119.9° |
| C10 | C11 | H18 | 119.5° | 120.0° |
| C10 | C9 | N1 | 113.6° | 109.5° |
| C10 | C9 | H16 | 108.4° | 109.4° |
| C10 | C9 | H17 | 108.4° | 109.5° |
| C9 | N1 | C4 | 123.2° | 120.0° |
| C9 | N1 | C5 | 114.5° | 120.0° |
| N1 | C9 | H16 | 108.4° | 109.5° |
| N1 | C9 | H17 | 108.4° | 109.5° |
| O2 | C4 | N1 | 120.4° | 120.0° |
| O2 | C4 | N | 123.1° | 120.0° |
| C4 | N1 | C5 | 122.3° | 120.0° |
| N1 | C4 | N | 116.5° | 120.0° |
| N1 | C5 | C6 | 112.7° | 109.4° |
| N1 | C5 | H9 | 108.6° | 109.4° |
| N1 | C5 | H10 | 108.6° | 109.5° |
| C4 | N | C3 | 121.9° | 120.0° |
| C4 | N | H8 | 119.1° | 120.0° |
| C | C1 | O | 103.7° | 109.5° |
| C | C1 | H1 | 110.9° | 109.4° |
| C | C1 | H2 | 110.9° | 109.4° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.4° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | O | C2 | 119.3° | 117.0° |
| O | C1 | H1 | 110.9° | 109.5° |
| O | C1 | H2 | 110.9° | 109.5° |
| O1 | C2 | O | 125.2° | 120.0° |
| O1 | C2 | C3 | 124.3° | 120.0° |
| O | C2 | C3 | 110.5° | 120.0° |
| C5 | C6 | C8 | 120.8° | 117.5° |
| C5 | C6 | C7 | 121.6° | 117.5° |
| C6 | C5 | H9 | 108.7° | 109.5° |
| C6 | C5 | H10 | 108.7° | 109.5° |
| C5 | C6 | H11 | 114.6° | 115.6° |
| C2 | C3 | N | 112.1° | 109.5° |
| C2 | C3 | H6 | 108.8° | 109.4° |
| C2 | C3 | H7 | 108.8° | 109.5° |
| C8 | C6 | C7 | 59.5° | 60.0° |
| C6 | C8 | C7 | 59.8° | 60.0° |
| C8 | C6 | H11 | 114.6° | 117.5° |
| C6 | C8 | H14 | 120.0° | 117.5° |
| C6 | C8 | H15 | 120.0° | 117.5° |
| C6 | C7 | C8 | 60.7° | 60.0° |
| C7 | C6 | H11 | 114.8° | 117.5° |
| C6 | C7 | H12 | 119.9° | 117.5° |
| C6 | C7 | H13 | 119.9° | 117.5° |
| N | C3 | H6 | 108.8° | 109.5° |
| N | C3 | H7 | 108.8° | 109.5° |
| C3 | N | H8 | 119.0° | 119.9° |
| C8 | C7 | H12 | 119.9° | 117.5° |
| C8 | C7 | H13 | 119.9° | 117.5° |
| C7 | C8 | H14 | 120.0° | 117.5° |
| C7 | C8 | H15 | 120.0° | 117.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C | H4 | 109.5° | 109.5° |
| H3 | C | H5 | 109.4° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.4° | 109.5° |
| H12 | C7 | H13 | 109.5° | 115.6° |
| H14 | C8 | H15 | 109.5° | 115.6° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H20 | N2 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C13 | C14 | C12 | 179.9° | 179.7° |
| N2 | C13 | C14 | C15 | 178.6° | 180.0° |
| N2 | C13 | C12 | C11 | 180.0° | 179.7° |
| N2 | C13 | C12 | H19 | 0.0° | 0.3° |
| C13 | N2 | H20 | H21 | 120.0° | 179.9° |
| N2 | C13 | C14 | H22 | 1.4° | 0.3° |
| C13 | C14 | C15 | H22 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | C10 | 2.4° | 0.5° |
| C14 | C13 | C12 | H19 | 179.9° | 180.0° |
| C14 | C13 | N2 | H20 | 180.0° | 0.0° |
| C14 | C13 | N2 | H21 | 60.0° | 179.9° |
| C13 | C14 | C15 | H23 | 177.6° | 180.0° |
| C12 | C13 | C14 | C15 | 1.3° | 0.3° |
| C13 | C12 | C11 | H19 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H18 | 179.6° | 180.0° |
| C12 | C13 | N2 | H20 | 0.1° | 179.7° |
| C12 | C13 | N2 | H21 | 120.1° | 0.4° |
| C12 | C13 | C14 | H22 | 178.7° | 180.0° |
| C14 | C15 | C10 | H23 | 180.0° | 179.5° |
| C14 | C15 | C10 | C11 | 2.0° | 0.6° |
| C14 | C15 | C10 | C9 | 178.7° | 179.8° |
| C12 | C11 | C10 | C15 | 0.7° | 0.3° |
| C12 | C11 | C10 | H18 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 180.0° | 180.0° |
| C15 | C10 | C11 | C9 | 179.3° | 179.7° |
| C15 | C10 | C9 | N1 | 121.8° | 90.3° |
| C15 | C10 | C9 | H16 | 117.6° | 149.7° |
| C15 | C10 | C9 | H17 | 1.2° | 29.7° |
| C15 | C10 | C11 | H18 | 179.3° | 179.7° |
| C10 | C15 | C14 | H22 | 177.6° | 179.7° |
| C11 | C10 | C9 | N1 | 59.0° | 90.0° |
| C11 | C10 | C9 | H16 | 61.6° | 30.0° |
| C11 | C10 | C9 | H17 | 179.6° | 150.0° |
| C10 | C11 | C12 | H19 | 179.6° | 180.0° |
| C11 | C10 | C15 | H23 | 177.9° | 180.0° |
| C10 | C9 | N1 | H16 | 120.6° | 120.0° |
| C10 | C9 | N1 | H17 | 120.6° | 120.0° |
| C10 | C9 | N1 | C4 | 105.6° | 90.1° |
| C10 | C9 | N1 | C5 | 73.3° | 90.0° |
| C10 | C9 | H16 | H17 | 118.1° | 120.0° |
| C9 | C10 | C11 | H18 | 0.0° | 0.0° |
| C9 | C10 | C15 | H23 | 1.3° | 0.3° |
| C9 | N1 | C4 | O2 | 9.5° | 0.1° |
| C9 | N1 | C4 | C5 | 178.9° | 180.0° |
| C9 | N1 | C4 | N | 170.0° | 180.0° |
| C9 | N1 | C5 | C6 | 70.5° | 90.0° |
| C9 | N1 | C5 | H9 | 50.1° | 30.0° |
| C9 | N1 | C5 | H10 | 169.0° | 150.0° |
| N1 | C9 | H16 | H17 | 118.1° | 120.0° |
| O2 | C4 | N1 | N | 179.5° | 179.9° |
| O2 | C4 | N1 | C5 | 171.7° | 180.0° |
| O2 | C4 | N | C3 | 0.8° | 0.0° |
| O2 | C4 | N | H8 | 179.2° | 180.0° |
| C4 | N1 | C5 | C6 | 110.6° | 90.0° |
| N1 | C4 | N | C3 | 179.7° | 179.9° |
| N1 | C4 | N | H8 | 0.3° | 0.1° |
| C4 | N1 | C5 | H9 | 128.9° | 150.1° |
| C4 | N1 | C5 | H10 | 9.9° | 30.0° |
| C4 | N1 | C9 | H16 | 15.0° | 150.0° |
| C4 | N1 | C9 | H17 | 133.8° | 29.9° |
| C5 | N1 | C4 | N | 8.8° | 0.1° |
| N1 | C5 | C6 | H9 | 120.5° | 119.9° |
| N1 | C5 | C6 | H10 | 120.5° | 120.0° |
| N1 | C5 | C6 | C8 | 156.0° | 175.0° |
| N1 | C5 | C6 | C7 | 133.1° | 116.4° |
| N1 | C5 | H9 | H10 | 118.5° | 120.0° |
| N1 | C5 | C6 | H11 | 12.4° | 29.3° |
| C5 | N1 | C9 | H16 | 166.1° | 30.0° |
| C5 | N1 | C9 | H17 | 47.3° | 150.0° |
| C4 | N | C3 | C2 | 62.5° | 180.0° |
| C4 | N | C3 | H8 | 180.0° | 180.0° |
| C4 | N | C3 | H6 | 177.1° | 60.0° |
| C4 | N | C3 | H7 | 57.9° | 60.0° |
| C | C1 | O | H1 | 119.1° | 120.0° |
| C | C1 | O | H2 | 119.1° | 120.0° |
| C | C1 | O | C2 | 172.5° | 180.0° |
| C | C1 | H1 | H2 | 122.7° | 119.9° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | O | C2 | O1 | 6.8° | 0.0° |
| C1 | O | C2 | C3 | 173.7° | 179.7° |
| O | C1 | H1 | H2 | 122.7° | 120.1° |
| O | C1 | C | H3 | 180.0° | 180.0° |
| O | C1 | C | H4 | 60.0° | 60.0° |
| O | C1 | C | H5 | 60.0° | 60.0° |
| O1 | C2 | O | C3 | 179.5° | 179.8° |
| O1 | C2 | C3 | N | 24.3° | 0.0° |
| O1 | C2 | C3 | H6 | 96.1° | 120.0° |
| O1 | C2 | C3 | H7 | 144.7° | 120.0° |
| O | C2 | C3 | N | 155.2° | 179.8° |
| C2 | O | C1 | H1 | 68.4° | 60.0° |
| C2 | O | C1 | H2 | 53.4° | 60.0° |
| O | C2 | C3 | H6 | 84.4° | 60.3° |
| O | C2 | C3 | H7 | 34.9° | 59.7° |
| C5 | C6 | C8 | C7 | 111.0° | 107.5° |
| C5 | C6 | C8 | H11 | 143.6° | 145.0° |
| C5 | C6 | C7 | H11 | 145.4° | 145.1° |
| C6 | C5 | H9 | H10 | 118.5° | 120.0° |
| C5 | C6 | C7 | H12 | 0.1° | 0.0° |
| C5 | C6 | C7 | H13 | 140.8° | 145.0° |
| C5 | C6 | C8 | H14 | 139.6° | 145.1° |
| C5 | C6 | C8 | H15 | 1.5° | 0.0° |
| C2 | C3 | N | H6 | 120.4° | 120.0° |
| C2 | C3 | N | H7 | 120.4° | 120.0° |
| C2 | C3 | H6 | H7 | 118.8° | 120.0° |
| C2 | C3 | N | H8 | 117.5° | 0.0° |
| C8 | C6 | C7 | H11 | 105.0° | 107.5° |
| C6 | C8 | C7 | H14 | 109.4° | 107.5° |
| C6 | C8 | C7 | H15 | 109.4° | 107.5° |
| C8 | C6 | C5 | H9 | 35.5° | 55.0° |
| C8 | C6 | C5 | H10 | 83.6° | 65.0° |
| C8 | C6 | C7 | H12 | 109.7° | 107.5° |
| C8 | C6 | C7 | H13 | 109.7° | 107.5° |
| C6 | C8 | H14 | H15 | 144.9° | 145.8° |
| C7 | C6 | C5 | H9 | 106.4° | 123.6° |
| C7 | C6 | C5 | H10 | 12.6° | 3.6° |
| C6 | C7 | H12 | H13 | 144.3° | 145.7° |
| N | C3 | H6 | H7 | 118.8° | 120.0° |
| C8 | C7 | H12 | H13 | 144.4° | 145.7° |
| C7 | C8 | H14 | H15 | 144.9° | 145.6° |
| H1 | C1 | C | H3 | 60.9° | 60.0° |
| H1 | C1 | C | H4 | 59.1° | 180.0° |
| H1 | C1 | C | H5 | 179.1° | 60.0° |
| H2 | C1 | C | H3 | 60.9° | 60.0° |
| H2 | C1 | C | H4 | 179.0° | 60.0° |
| H2 | C1 | C | H5 | 59.1° | 180.0° |
| H3 | C | H4 | H5 | 120.0° | 120.0° |
| H6 | C3 | N | H8 | 2.9° | 120.0° |
| H7 | C3 | N | H8 | 122.1° | 120.0° |
| H9 | C5 | C6 | H11 | 108.1° | 90.6° |
| H10 | C5 | C6 | H11 | 132.9° | 149.3° |
| H11 | C6 | C7 | H12 | 145.3° | 145.0° |
| H11 | C6 | C7 | H13 | 4.6° | 0.1° |
| H11 | C6 | C8 | H14 | 3.9° | 0.1° |
| H11 | C6 | C8 | H15 | 145.1° | 145.0° |
| H12 | C7 | C8 | H14 | 140.9° | 145.0° |
| H12 | C7 | C8 | H15 | 0.2° | 0.1° |
| H13 | C7 | C8 | H14 | 0.2° | 0.0° |
| H13 | C7 | C8 | H15 | 140.9° | 145.0° |
| H18 | C11 | C12 | H19 | 0.4° | 0.0° |
| H22 | C14 | C15 | H23 | 2.4° | 0.2° |
