YGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N12 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | N14 | sing | 1.32Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.33Å | 1.35Å | Aromatic |
| N14 | C7 | doub | 1.33Å | 1.34Å | Aromatic |
| F25 | C30 | sing | 1.40Å | 1.39Å | |
| C30 | C31 | sing | 1.55Å | 1.51Å | |
| C30 | C29 | sing | 1.54Å | 1.52Å | |
| C13 | N1 | sing | 1.38Å | 1.34Å | |
| C13 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | N6 | sing | 1.37Å | 1.37Å | Aromatic |
| O26 | C31 | sing | 1.43Å | 1.42Å | |
| C8 | N9 | sing | 1.35Å | 1.38Å | Aromatic |
| C31 | C27 | sing | 1.55Å | 1.52Å | |
| C29 | N6 | sing | 1.46Å | 1.46Å | |
| C29 | O28 | sing | 1.44Å | 1.42Å | |
| N6 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C10 | doub | 1.30Å | 1.31Å | Aromatic |
| C27 | O28 | sing | 1.44Å | 1.44Å | |
| C27 | C24 | sing | 1.53Å | 1.50Å | |
| C24 | O23 | sing | 1.43Å | 1.44Å | |
| O23 | P22 | sing | 1.61Å | 1.61Å | |
| O17 | P22 | doub | 1.48Å | 1.49Å | |
| P22 | O15 | sing | 1.61Å | 1.46Å | |
| P22 | O21 | sing | 1.61Å | 1.60Å | |
| O21 | P20 | sing | 1.61Å | 1.60Å | |
| O16 | P20 | doub | 1.48Å | 1.47Å | |
| P20 | O19 | sing | 1.61Å | 1.60Å | |
| P20 | O18 | sing | 1.61Å | 1.48Å | |
| O19 | P5 | sing | 1.61Å | 1.70Å | |
| O3 | P5 | doub | 1.48Å | 1.53Å | |
| O2 | P5 | sing | 1.61Å | 1.57Å | |
| P5 | O4 | sing | 1.61Å | 1.52Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| N1 | H32 | sing | 0.97Å | 1.00Å | |
| C10 | H34 | sing | 1.08Å | 1.08Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| O15 | H1 | sing | 0.97Å | 0.95Å | |
| O18 | H2 | sing | 0.97Å | 0.95Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| O26 | H38 | sing | 0.97Å | 0.95Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C11 | N14 | 128.6° | 122.5° |
| C11 | N12 | C13 | 118.4° | 121.1° |
| N12 | C11 | H35 | 115.7° | 118.7° |
| C11 | N14 | C7 | 111.5° | 120.7° |
| N14 | C11 | H35 | 115.7° | 118.8° |
| N12 | C13 | N1 | 118.3° | 120.7° |
| N12 | C13 | C8 | 118.1° | 118.5° |
| N14 | C7 | C8 | 126.5° | 119.0° |
| N14 | C7 | N6 | 127.6° | 134.9° |
| F25 | C30 | C31 | 109.0° | 110.5° |
| F25 | C30 | C29 | 109.0° | 110.5° |
| F25 | C30 | H41 | 112.9° | 110.5° |
| C31 | C30 | C29 | 103.4° | 104.2° |
| C30 | C31 | O26 | 112.8° | 110.9° |
| C30 | C31 | C27 | 101.7° | 102.1° |
| C31 | C30 | H41 | 111.1° | 110.5° |
| C30 | C31 | H42 | 109.8° | 110.9° |
| C30 | C29 | N6 | 111.1° | 109.9° |
| C30 | C29 | O28 | 105.9° | 107.3° |
| C30 | C29 | H40 | 109.3° | 110.0° |
| C29 | C30 | H41 | 110.9° | 110.5° |
| N1 | C13 | C8 | 123.6° | 120.8° |
| C13 | N1 | H33 | 109.5° | 120.0° |
| C13 | N1 | H32 | 109.5° | 120.1° |
| C13 | C8 | C7 | 116.8° | 118.2° |
| C13 | C8 | N9 | 132.5° | 134.7° |
| C8 | C7 | N6 | 105.8° | 106.0° |
| C7 | C8 | N9 | 110.7° | 107.1° |
| C7 | N6 | C29 | 126.4° | 126.3° |
| C7 | N6 | C10 | 105.7° | 107.4° |
| O26 | C31 | C27 | 111.4° | 110.9° |
| O26 | C31 | H42 | 111.1° | 110.9° |
| C31 | O26 | H38 | 109.5° | 114.0° |
| C8 | N9 | C10 | 103.7° | 109.4° |
| C31 | C27 | O28 | 104.2° | 103.5° |
| C31 | C27 | C24 | 114.7° | 110.6° |
| C31 | C27 | H39 | 108.7° | 110.8° |
| C27 | C31 | H42 | 109.7° | 110.9° |
| N6 | C29 | O28 | 109.6° | 109.9° |
| C29 | N6 | C10 | 127.8° | 126.3° |
| N6 | C29 | H40 | 110.2° | 109.8° |
| C29 | O28 | C27 | 110.8° | 107.0° |
| O28 | C29 | H40 | 110.8° | 109.9° |
| N6 | C10 | N9 | 114.0° | 110.0° |
| N6 | C10 | H34 | 123.0° | 125.0° |
| N9 | C10 | H34 | 123.0° | 125.0° |
| O28 | C27 | C24 | 110.4° | 110.6° |
| O28 | C27 | H39 | 109.8° | 110.6° |
| C27 | C24 | O23 | 107.0° | 109.5° |
| C27 | C24 | H37 | 110.1° | 109.4° |
| C27 | C24 | H36 | 110.1° | 109.5° |
| C24 | C27 | H39 | 109.0° | 110.6° |
| C24 | O23 | P22 | 117.8° | 123.0° |
| O23 | C24 | H37 | 110.1° | 109.5° |
| O23 | C24 | H36 | 110.1° | 109.5° |
| O23 | P22 | O17 | 104.2° | 109.5° |
| O23 | P22 | O15 | 108.5° | 109.5° |
| O23 | P22 | O21 | 99.3° | 109.5° |
| O17 | P22 | O15 | 124.1° | 109.4° |
| O17 | P22 | O21 | 112.1° | 109.5° |
| O15 | P22 | O21 | 105.9° | 109.5° |
| P22 | O15 | H1 | 109.5° | 114.0° |
| P22 | O21 | P20 | 138.1° | 134.0° |
| O21 | P20 | O16 | 105.7° | 109.5° |
| O21 | P20 | O19 | 100.3° | 109.5° |
| O21 | P20 | O18 | 108.1° | 109.5° |
| O16 | P20 | O19 | 110.9° | 109.5° |
| O16 | P20 | O18 | 118.4° | 109.5° |
| O19 | P20 | O18 | 111.7° | 109.5° |
| P20 | O19 | P5 | 137.4° | 134.0° |
| P20 | O18 | H2 | 109.5° | 114.0° |
| O19 | P5 | O3 | 104.0° | 109.5° |
| O19 | P5 | O2 | 105.0° | 109.4° |
| O19 | P5 | O4 | 110.6° | 109.4° |
| O3 | P5 | O2 | 107.4° | 109.5° |
| O3 | P5 | O4 | 116.9° | 109.5° |
| O2 | P5 | O4 | 112.1° | 109.5° |
| P5 | O2 | H3 | 109.5° | 114.0° |
| P5 | O4 | H4 | 109.5° | 114.0° |
| H33 | N1 | H32 | 109.5° | 119.9° |
| H37 | C24 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C11 | N14 | H35 | 180.0° | 179.3° |
| N12 | C11 | N14 | C7 | 3.7° | 0.5° |
| C11 | N12 | C13 | N1 | 179.3° | 179.5° |
| C11 | N12 | C13 | C8 | 1.4° | 0.4° |
| N14 | C11 | N12 | C13 | 2.0° | 0.7° |
| C11 | N14 | C7 | C8 | 2.3° | 0.0° |
| C11 | N14 | C7 | N6 | 178.3° | 179.7° |
| N12 | C13 | N1 | C8 | 177.7° | 180.0° |
| N12 | C13 | C8 | C7 | 2.5° | 0.0° |
| N12 | C13 | C8 | N9 | 178.5° | 180.0° |
| N12 | C13 | N1 | H33 | 0.0° | 0.0° |
| N12 | C13 | N1 | H32 | 120.0° | 179.7° |
| C13 | N12 | C11 | H35 | 178.1° | 180.0° |
| N14 | C7 | C8 | C13 | 0.6° | 0.2° |
| N14 | C7 | C8 | N6 | 179.5° | 179.8° |
| N14 | C7 | C8 | N9 | 179.8° | 179.8° |
| N14 | C7 | N6 | C29 | 1.5° | 0.3° |
| N14 | C7 | N6 | C10 | 179.7° | 179.8° |
| C7 | N14 | C11 | H35 | 176.3° | 179.8° |
| F25 | C30 | C31 | C29 | 115.8° | 118.7° |
| F25 | C30 | C31 | H41 | 125.1° | 122.6° |
| F25 | C30 | C29 | H41 | 124.9° | 122.6° |
| F25 | C30 | C31 | O26 | 39.3° | 20.4° |
| F25 | C30 | C31 | C27 | 80.2° | 97.8° |
| F25 | C30 | C29 | N6 | 149.3° | 119.8° |
| F25 | C30 | C29 | O28 | 91.8° | 120.7° |
| F25 | C30 | C29 | H40 | 27.6° | 1.2° |
| F25 | C30 | C31 | H42 | 163.7° | 144.0° |
| C31 | C30 | C29 | H41 | 119.2° | 118.7° |
| C30 | C31 | O26 | C27 | 113.7° | 112.7° |
| C30 | C31 | O26 | H42 | 123.8° | 123.6° |
| C30 | C31 | C27 | H42 | 116.2° | 118.1° |
| C31 | C30 | C29 | N6 | 94.8° | 121.5° |
| C31 | C30 | C29 | O28 | 24.1° | 2.0° |
| C30 | C31 | C27 | O28 | 34.9° | 37.0° |
| C30 | C31 | C27 | C24 | 155.7° | 155.5° |
| C30 | C31 | C27 | H39 | 82.1° | 81.5° |
| C31 | C30 | C29 | H40 | 143.4° | 117.5° |
| C30 | C31 | O26 | H38 | 180.0° | 61.5° |
| C30 | C29 | N6 | C7 | 78.3° | 85.7° |
| C29 | C30 | C31 | O26 | 155.1° | 139.1° |
| C29 | C30 | C31 | C27 | 35.7° | 20.9° |
| C30 | C29 | N6 | O28 | 116.6° | 117.9° |
| C30 | C29 | N6 | H40 | 121.2° | 121.1° |
| C30 | C29 | O28 | H40 | 118.3° | 119.6° |
| C30 | C29 | N6 | C10 | 100.2° | 94.3° |
| C30 | C29 | O28 | C27 | 1.8° | 26.5° |
| C29 | C30 | C31 | H42 | 80.4° | 97.3° |
| N1 | C13 | C8 | C7 | 179.8° | 180.0° |
| N1 | C13 | C8 | N9 | 0.8° | 0.0° |
| C13 | N1 | H33 | H32 | 120.0° | 179.7° |
| C13 | C8 | C7 | N9 | 179.2° | 180.0° |
| C13 | C8 | C7 | N6 | 179.0° | 180.0° |
| C13 | C8 | N9 | C10 | 178.9° | 180.0° |
| C8 | C13 | N1 | H33 | 177.7° | 180.0° |
| C8 | C13 | N1 | H32 | 62.3° | 0.2° |
| C8 | C7 | N6 | C29 | 179.0° | 180.0° |
| C8 | C7 | N6 | C10 | 0.2° | 0.1° |
| C7 | C8 | N9 | C10 | 0.1° | 0.0° |
| N6 | C7 | C8 | N9 | 0.2° | 0.0° |
| C7 | N6 | C29 | C10 | 178.5° | 180.0° |
| C7 | N6 | C29 | O28 | 165.0° | 156.5° |
| C7 | N6 | C10 | N9 | 0.1° | 0.1° |
| C7 | N6 | C10 | H34 | 179.9° | 179.9° |
| C7 | N6 | C29 | H40 | 42.9° | 35.4° |
| O26 | C31 | C27 | H42 | 123.3° | 123.7° |
| O26 | C31 | C27 | O28 | 155.4° | 155.2° |
| O26 | C31 | C27 | C24 | 83.9° | 86.3° |
| O26 | C31 | C27 | H39 | 38.3° | 36.7° |
| O26 | C31 | C30 | H41 | 85.9° | 102.2° |
| C8 | N9 | C10 | N6 | 0.0° | 0.0° |
| C8 | N9 | C10 | H34 | 180.0° | 179.9° |
| C31 | C27 | O28 | C29 | 21.0° | 40.0° |
| C31 | C27 | O28 | C24 | 123.6° | 118.5° |
| C31 | C27 | O28 | H39 | 116.3° | 118.6° |
| C31 | C27 | C24 | H39 | 122.1° | 123.1° |
| C31 | C27 | C24 | O23 | 55.8° | 179.4° |
| C31 | C27 | C24 | H37 | 175.5° | 59.4° |
| C31 | C27 | C24 | H36 | 63.8° | 60.5° |
| C27 | C31 | C30 | H41 | 154.7° | 139.5° |
| C27 | C31 | O26 | H38 | 66.3° | 174.2° |
| N6 | C29 | O28 | H40 | 121.8° | 121.0° |
| C29 | N6 | C10 | N9 | 178.9° | 180.0° |
| N6 | C29 | O28 | C27 | 118.0° | 145.9° |
| C29 | N6 | C10 | H34 | 1.1° | 0.1° |
| N6 | C29 | C30 | H41 | 24.4° | 2.8° |
| O28 | C29 | N6 | C10 | 16.5° | 23.6° |
| C29 | O28 | C27 | C24 | 144.6° | 158.6° |
| C29 | O28 | C27 | H39 | 95.2° | 78.6° |
| O28 | C29 | C30 | H41 | 143.3° | 116.6° |
| N6 | C10 | N9 | H34 | 180.0° | 179.9° |
| C10 | N6 | C29 | H40 | 138.6° | 144.6° |
| O28 | C27 | C24 | H39 | 120.6° | 122.8° |
| O28 | C27 | C24 | O23 | 61.4° | 66.5° |
| O28 | C27 | C24 | H37 | 58.2° | 173.5° |
| O28 | C27 | C24 | H36 | 179.0° | 53.6° |
| C27 | O28 | C29 | H40 | 120.2° | 93.1° |
| O28 | C27 | C31 | H42 | 81.3° | 81.2° |
| C27 | C24 | O23 | H37 | 119.6° | 120.0° |
| C27 | C24 | O23 | H36 | 119.6° | 120.0° |
| C27 | C24 | O23 | P22 | 170.7° | 180.0° |
| C27 | C24 | H37 | H36 | 121.1° | 119.9° |
| C24 | C27 | C31 | H42 | 39.4° | 37.4° |
| C24 | O23 | P22 | O17 | 173.7° | 55.0° |
| C24 | O23 | P22 | O15 | 39.8° | 65.0° |
| C24 | O23 | P22 | O21 | 70.5° | 175.0° |
| O23 | C24 | H37 | H36 | 121.2° | 120.0° |
| O23 | C24 | C27 | H39 | 177.9° | 56.4° |
| O23 | P22 | O17 | O15 | 124.5° | 119.9° |
| O23 | P22 | O17 | O21 | 106.5° | 120.1° |
| O23 | P22 | O15 | O21 | 105.8° | 120.1° |
| O23 | P22 | O21 | P20 | 125.6° | 160.0° |
| P22 | O23 | C24 | H37 | 51.1° | 60.0° |
| P22 | O23 | C24 | H36 | 69.7° | 60.0° |
| O23 | P22 | O15 | H1 | 122.5° | 60.1° |
| O17 | P22 | O15 | O21 | 131.6° | 120.0° |
| O17 | P22 | O21 | P20 | 16.0° | 40.0° |
| O17 | P22 | O15 | H1 | 0.0° | 180.0° |
| O15 | P22 | O21 | P20 | 122.0° | 80.0° |
| P22 | O21 | P20 | O16 | 75.9° | 40.0° |
| P22 | O21 | P20 | O19 | 39.4° | 160.0° |
| P22 | O21 | P20 | O18 | 156.5° | 80.0° |
| O21 | P22 | O15 | H1 | 131.6° | 60.0° |
| O21 | P20 | O16 | O19 | 107.8° | 120.0° |
| O21 | P20 | O16 | O18 | 121.2° | 120.0° |
| O21 | P20 | O19 | O18 | 114.3° | 120.0° |
| O21 | P20 | O19 | P5 | 174.8° | 165.0° |
| O21 | P20 | O18 | H2 | 119.9° | 60.0° |
| O16 | P20 | O19 | O18 | 134.4° | 120.0° |
| O16 | P20 | O19 | P5 | 73.8° | 45.0° |
| O16 | P20 | O18 | H2 | 0.0° | 180.0° |
| P20 | O19 | P5 | O3 | 48.4° | 40.0° |
| P20 | O19 | P5 | O2 | 161.1° | 160.0° |
| P20 | O19 | P5 | O4 | 77.8° | 80.0° |
| O19 | P20 | O18 | H2 | 130.7° | 60.0° |
| O18 | P20 | O19 | P5 | 60.5° | 75.0° |
| O19 | P5 | O3 | O2 | 110.9° | 120.0° |
| O19 | P5 | O3 | O4 | 122.2° | 120.0° |
| O19 | P5 | O2 | O4 | 120.1° | 120.0° |
| O19 | P5 | O2 | H3 | 110.2° | 180.0° |
| O19 | P5 | O4 | H4 | 118.7° | 60.0° |
| O3 | P5 | O2 | O4 | 129.7° | 120.1° |
| O3 | P5 | O2 | H3 | 0.0° | 60.0° |
| O3 | P5 | O4 | H4 | 0.0° | 180.0° |
| O2 | P5 | O4 | H4 | 124.5° | 59.9° |
| O4 | P5 | O2 | H3 | 129.7° | 60.0° |
| H37 | C24 | C27 | H39 | 62.5° | 63.7° |
| H36 | C24 | C27 | H39 | 58.3° | 176.4° |
| H39 | C27 | C31 | H42 | 161.7° | 160.3° |
| H40 | C29 | C30 | H41 | 97.4° | 123.8° |
| H41 | C30 | C31 | H42 | 38.6° | 21.4° |
| H42 | C31 | O26 | H38 | 56.2° | 62.2° |
