G8G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| N26 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| N26 | C27 | sing | 1.33Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.32Å | 1.32Å | Aromatic |
| C27 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| N23 | C21 | doub | 1.33Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.45Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| C21 | N22 | sing | 1.39Å | 1.46Å | |
| C15 | C14 | sing | 1.51Å | 1.56Å | |
| C19 | N16 | sing | 1.46Å | 1.44Å | |
| C14 | N16 | sing | 1.40Å | 1.44Å | |
| C14 | C02 | doub | 1.33Å | 1.39Å | |
| N16 | C17 | sing | 1.35Å | 1.50Å | |
| O12 | P06 | doub | 1.48Å | 1.50Å | |
| O05 | P06 | sing | 1.61Å | 1.62Å | |
| O05 | C04 | sing | 1.43Å | 1.44Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.51Å | |
| O13 | P06 | sing | 1.61Å | 1.47Å | |
| C02 | S01 | sing | 1.76Å | 1.79Å | |
| P06 | O07 | sing | 1.61Å | 1.58Å | |
| C17 | O18 | doub | 1.21Å | 1.24Å | |
| O07 | P08 | sing | 1.61Å | 1.57Å | |
| O09 | P08 | doub | 1.48Å | 1.52Å | |
| P08 | O10 | sing | 1.61Å | 1.51Å | |
| P08 | O11 | sing | 1.61Å | 1.58Å | |
| S01 | H1 | sing | 1.34Å | 1.30Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| O10 | H6 | sing | 0.97Å | 0.95Å | |
| O11 | H7 | sing | 0.97Å | 0.95Å | |
| O13 | H8 | sing | 0.97Å | 0.95Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| N22 | H15 | sing | 0.97Å | 1.00Å | |
| N22 | H16 | sing | 0.97Å | 1.00Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | N26 | 117.8° | 119.1° |
| C25 | C24 | N23 | 119.6° | 119.1° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C24 | C25 | H18 | 109.5° | 109.4° |
| C24 | C25 | H19 | 109.5° | 109.4° |
| C24 | N26 | C27 | 121.3° | 121.0° |
| N26 | C24 | N23 | 122.6° | 121.8° |
| N26 | C27 | C20 | 119.0° | 119.2° |
| N26 | C27 | H20 | 120.5° | 120.4° |
| C24 | N23 | C21 | 120.6° | 120.7° |
| C27 | C20 | C21 | 117.8° | 118.3° |
| C27 | C20 | C19 | 118.2° | 120.9° |
| C20 | C27 | H20 | 120.5° | 120.4° |
| N23 | C21 | C20 | 118.8° | 119.0° |
| N23 | C21 | N22 | 119.1° | 120.5° |
| C21 | C20 | C19 | 123.9° | 120.8° |
| C20 | C21 | N22 | 122.2° | 120.5° |
| C20 | C19 | N16 | 116.0° | 109.5° |
| C20 | C19 | H13 | 107.8° | 109.5° |
| C20 | C19 | H14 | 107.8° | 109.4° |
| C21 | N22 | H15 | 109.5° | 120.0° |
| C21 | N22 | H16 | 109.4° | 120.0° |
| C15 | C14 | N16 | 110.1° | 120.0° |
| C15 | C14 | C02 | 122.9° | 120.0° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C19 | N16 | C14 | 121.2° | 120.1° |
| C19 | N16 | C17 | 116.7° | 120.0° |
| N16 | C19 | H13 | 107.8° | 109.5° |
| N16 | C19 | H14 | 107.8° | 109.5° |
| N16 | C14 | C02 | 126.9° | 120.0° |
| C14 | N16 | C17 | 122.1° | 120.0° |
| C14 | C02 | C03 | 125.6° | 120.0° |
| C14 | C02 | S01 | 125.9° | 120.0° |
| N16 | C17 | O18 | 121.0° | 120.0° |
| N16 | C17 | H12 | 119.5° | 120.0° |
| O12 | P06 | O05 | 108.2° | 109.5° |
| O12 | P06 | O13 | 109.5° | 109.5° |
| O12 | P06 | O07 | 107.6° | 109.5° |
| P06 | O05 | C04 | 118.6° | 123.0° |
| O05 | P06 | O13 | 109.2° | 109.5° |
| O05 | P06 | O07 | 110.4° | 109.4° |
| O05 | C04 | C03 | 108.8° | 109.5° |
| O05 | C04 | H4 | 109.7° | 109.4° |
| O05 | C04 | H5 | 109.7° | 109.5° |
| C02 | C03 | C04 | 113.9° | 109.5° |
| C03 | C02 | S01 | 108.5° | 120.0° |
| C02 | C03 | H2 | 108.4° | 109.5° |
| C02 | C03 | H3 | 108.3° | 109.4° |
| C04 | C03 | H2 | 108.3° | 109.5° |
| C04 | C03 | H3 | 108.4° | 109.5° |
| C03 | C04 | H4 | 109.6° | 109.5° |
| C03 | C04 | H5 | 109.6° | 109.5° |
| O13 | P06 | O07 | 111.8° | 109.5° |
| P06 | O13 | H8 | 109.5° | 114.0° |
| C02 | S01 | H1 | 102.0° | 103.0° |
| P06 | O07 | P08 | 129.8° | 134.0° |
| O18 | C17 | H12 | 119.5° | 120.0° |
| O07 | P08 | O09 | 111.8° | 109.4° |
| O07 | P08 | O10 | 109.6° | 109.5° |
| O07 | P08 | O11 | 106.9° | 109.4° |
| O09 | P08 | O10 | 110.0° | 109.5° |
| O09 | P08 | O11 | 109.1° | 109.5° |
| O10 | P08 | O11 | 109.4° | 109.5° |
| P08 | O10 | H6 | 109.5° | 114.0° |
| P08 | O11 | H7 | 109.5° | 114.0° |
| H2 | C03 | H3 | 109.5° | 109.4° |
| H4 | C04 | H5 | 109.4° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | N22 | H16 | 109.5° | 120.0° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | N26 | N23 | 179.9° | 179.9° |
| C25 | C24 | N26 | C27 | 180.0° | 179.7° |
| C25 | C24 | N23 | C21 | 179.7° | 180.0° |
| C24 | C25 | H17 | H18 | 120.0° | 120.0° |
| C24 | C25 | H17 | H19 | 120.0° | 119.9° |
| C24 | C25 | H18 | H19 | 120.0° | 120.0° |
| C24 | N26 | C27 | C20 | 0.2° | 0.5° |
| N26 | C24 | N23 | C21 | 0.2° | 0.1° |
| N26 | C24 | C25 | H17 | 0.0° | 90.0° |
| N26 | C24 | C25 | H18 | 120.0° | 30.0° |
| N26 | C24 | C25 | H19 | 120.0° | 150.1° |
| C24 | N26 | C27 | H20 | 179.9° | 180.0° |
| C27 | N26 | C24 | N23 | 0.1° | 0.2° |
| N26 | C27 | C20 | H20 | 180.0° | 179.5° |
| N26 | C27 | C20 | C21 | 0.6° | 0.5° |
| N26 | C27 | C20 | C19 | 179.1° | 179.7° |
| C24 | N23 | C21 | C20 | 0.7° | 0.1° |
| C24 | N23 | C21 | N22 | 179.9° | 180.0° |
| N23 | C24 | C25 | H17 | 179.9° | 89.9° |
| N23 | C24 | C25 | H18 | 59.9° | 150.1° |
| N23 | C24 | C25 | H19 | 60.1° | 30.0° |
| C27 | C20 | C21 | N23 | 0.8° | 0.2° |
| C27 | C20 | C21 | C19 | 178.4° | 179.8° |
| C27 | C20 | C21 | N22 | 179.8° | 179.7° |
| C27 | C20 | C19 | N16 | 130.7° | 96.3° |
| C27 | C20 | C19 | H13 | 108.3° | 143.7° |
| C27 | C20 | C19 | H14 | 9.8° | 23.7° |
| N23 | C21 | C20 | N22 | 179.4° | 179.9° |
| N23 | C21 | C20 | C19 | 179.3° | 180.0° |
| N23 | C21 | N22 | H15 | 0.0° | 172.4° |
| N23 | C21 | N22 | H16 | 120.0° | 7.7° |
| C21 | C20 | C19 | N16 | 50.9° | 84.0° |
| C21 | C20 | C19 | H13 | 70.1° | 36.1° |
| C21 | C20 | C19 | H14 | 171.8° | 156.0° |
| C20 | C21 | N22 | H15 | 179.4° | 7.5° |
| C20 | C21 | N22 | H16 | 60.6° | 172.4° |
| C21 | C20 | C27 | H20 | 179.4° | 180.0° |
| C19 | C20 | C21 | N22 | 1.3° | 0.1° |
| C20 | C19 | N16 | H13 | 120.9° | 120.1° |
| C20 | C19 | N16 | H14 | 121.0° | 119.9° |
| C20 | C19 | N16 | C14 | 74.5° | 93.2° |
| C20 | C19 | N16 | C17 | 108.3° | 86.8° |
| C20 | C19 | H13 | H14 | 117.0° | 119.9° |
| C19 | C20 | C27 | H20 | 0.9° | 0.2° |
| C21 | N22 | H15 | H16 | 120.0° | 179.9° |
| C15 | C14 | N16 | C19 | 27.4° | 113.0° |
| C15 | C14 | N16 | C02 | 179.2° | 179.9° |
| C15 | C14 | N16 | C17 | 149.6° | 67.0° |
| C15 | C14 | C02 | C03 | 0.6° | 4.4° |
| C15 | C14 | C02 | S01 | 180.0° | 175.6° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C19 | N16 | C14 | C17 | 177.1° | 180.0° |
| C19 | N16 | C14 | C02 | 153.3° | 66.9° |
| C19 | N16 | C17 | O18 | 82.3° | 174.8° |
| C19 | N16 | C17 | H12 | 97.7° | 5.2° |
| N16 | C19 | H13 | H14 | 117.0° | 120.0° |
| N16 | C14 | C02 | C03 | 179.8° | 175.5° |
| N16 | C14 | C02 | S01 | 0.8° | 4.6° |
| C14 | N16 | C17 | O18 | 100.5° | 5.2° |
| N16 | C14 | C15 | H9 | 180.0° | 94.6° |
| N16 | C14 | C15 | H10 | 60.0° | 145.4° |
| N16 | C14 | C15 | H11 | 60.0° | 25.4° |
| C14 | N16 | C17 | H12 | 79.5° | 174.8° |
| C14 | N16 | C19 | H13 | 164.6° | 146.7° |
| C14 | N16 | C19 | H14 | 46.5° | 26.7° |
| C02 | C14 | N16 | C17 | 29.6° | 113.1° |
| C14 | C02 | C03 | S01 | 179.5° | 179.9° |
| C14 | C02 | C03 | C04 | 157.8° | 92.3° |
| C14 | C02 | S01 | H1 | 180.0° | 1.0° |
| C14 | C02 | C03 | H2 | 81.6° | 27.8° |
| C14 | C02 | C03 | H3 | 37.1° | 147.7° |
| C02 | C14 | C15 | H9 | 0.7° | 85.3° |
| C02 | C14 | C15 | H10 | 119.3° | 34.7° |
| C02 | C14 | C15 | H11 | 120.7° | 154.7° |
| N16 | C17 | O18 | H12 | 180.0° | 180.0° |
| C17 | N16 | C19 | H13 | 12.6° | 33.2° |
| C17 | N16 | C19 | H14 | 130.8° | 153.2° |
| O12 | P06 | O05 | O13 | 119.1° | 120.0° |
| O12 | P06 | O05 | O07 | 117.6° | 120.0° |
| O12 | P06 | O05 | C04 | 83.3° | 55.0° |
| O12 | P06 | O13 | O07 | 119.2° | 120.0° |
| O12 | P06 | O07 | P08 | 157.6° | 40.0° |
| O12 | P06 | O13 | H8 | 0.0° | 180.0° |
| P06 | O05 | C04 | C03 | 179.6° | 180.0° |
| O05 | P06 | O13 | O07 | 122.5° | 120.0° |
| O05 | P06 | O07 | P08 | 84.5° | 160.0° |
| P06 | O05 | C04 | H4 | 59.7° | 60.0° |
| P06 | O05 | C04 | H5 | 60.5° | 60.0° |
| O05 | P06 | O13 | H8 | 118.3° | 60.0° |
| O05 | C04 | C03 | C02 | 159.8° | 180.0° |
| O05 | C04 | C03 | H4 | 119.9° | 119.9° |
| O05 | C04 | C03 | H5 | 119.9° | 120.0° |
| C04 | O05 | P06 | O13 | 157.6° | 65.0° |
| C04 | O05 | P06 | O07 | 34.3° | 175.0° |
| O05 | C04 | C03 | H2 | 79.5° | 60.0° |
| O05 | C04 | C03 | H3 | 39.2° | 60.0° |
| O05 | C04 | H4 | H5 | 120.3° | 120.0° |
| C02 | C03 | C04 | H2 | 120.7° | 120.0° |
| C02 | C03 | C04 | H3 | 120.7° | 120.0° |
| C03 | C02 | S01 | H1 | 0.5° | 179.1° |
| C02 | C03 | H2 | H3 | 118.0° | 119.9° |
| C02 | C03 | C04 | H4 | 80.3° | 60.1° |
| C02 | C03 | C04 | H5 | 39.9° | 60.0° |
| C04 | C03 | C02 | S01 | 21.7° | 87.7° |
| C04 | C03 | H2 | H3 | 118.0° | 120.0° |
| C03 | C04 | H4 | H5 | 120.3° | 120.1° |
| O13 | P06 | O07 | P08 | 37.2° | 80.0° |
| S01 | C02 | C03 | H2 | 98.9° | 152.3° |
| S01 | C02 | C03 | H3 | 142.4° | 32.4° |
| P06 | O07 | P08 | O09 | 10.4° | 45.0° |
| P06 | O07 | P08 | O10 | 111.8° | 165.0° |
| P06 | O07 | P08 | O11 | 129.8° | 75.0° |
| O07 | P06 | O13 | H8 | 119.2° | 60.0° |
| O07 | P08 | O09 | O10 | 122.0° | 120.0° |
| O07 | P08 | O09 | O11 | 118.0° | 120.0° |
| O07 | P08 | O10 | O11 | 116.9° | 120.0° |
| O07 | P08 | O10 | H6 | 123.3° | 180.0° |
| O07 | P08 | O11 | H7 | 121.1° | 60.0° |
| O09 | P08 | O10 | O11 | 119.8° | 120.1° |
| O09 | P08 | O10 | H6 | 0.0° | 60.0° |
| O09 | P08 | O11 | H7 | 0.0° | 180.0° |
| O10 | P08 | O11 | H7 | 120.4° | 59.9° |
| O11 | P08 | O10 | H6 | 119.8° | 60.0° |
| H2 | C03 | C04 | H4 | 40.4° | 179.9° |
| H2 | C03 | C04 | H5 | 160.6° | 60.0° |
| H3 | C03 | C04 | H4 | 159.1° | 59.9° |
| H3 | C03 | C04 | H5 | 80.8° | 180.0° |
| H9 | C15 | H10 | H11 | 120.0° | 119.9° |
| H17 | C25 | H18 | H19 | 120.0° | 120.0° |
