U8G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C42 | sing | 1.50Å | 1.48Å | |
| C40 | C42 | doub | 1.36Å | 1.37Å | Aromatic |
| C40 | N07 | sing | 1.34Å | 1.42Å | Aromatic |
| C42 | N04 | sing | 1.36Å | 1.41Å | Aromatic |
| N07 | C36 | sing | 1.46Å | 1.43Å | |
| N07 | C31 | sing | 1.35Å | 1.36Å | Aromatic |
| N04 | C32 | sing | 1.46Å | 1.45Å | |
| N04 | C31 | sing | 1.36Å | 1.37Å | Aromatic |
| C31 | RH01 | sing | 2.12Å | 2.11Å | |
| C32 | H1 | sing | 0.97Å | 1.10Å | |
| C32 | H2 | sing | 0.97Å | 1.10Å | |
| C32 | H3 | sing | 0.97Å | 1.10Å | |
| C36 | H4 | sing | 0.97Å | 1.10Å | |
| C36 | H5 | sing | 0.97Å | 1.10Å | |
| C36 | H6 | sing | 0.97Å | 1.10Å | |
| C40 | H7 | sing | 0.95Å | 1.08Å | |
| C43 | H8 | sing | 0.98Å | 1.10Å | |
| C43 | H9 | sing | 0.98Å | 1.10Å | |
| C43 | C1 | sing | 1.55Å | 49.15Å | |
| C1 | C2 | sing | 1.52Å | 0.00Å | |
| C1 | N1 | sing | 1.46Å | 0.00Å | |
| N1 | C4 | sing | 1.35Å | 0.00Å | |
| C2 | O2 | sing | 1.33Å | 0.00Å | |
| C2 | O1 | doub | 1.20Å | 0.00Å | |
| O2 | C7 | sing | 1.45Å | 0.00Å | |
| C4 | O3 | sing | 1.35Å | 0.00Å | |
| C4 | O4 | doub | 1.22Å | 0.00Å | |
| O3 | C6 | sing | 1.49Å | 0.00Å | |
| C6 | C8 | sing | 1.53Å | 0.00Å | |
| C6 | C9 | sing | 1.52Å | 0.00Å | |
| C6 | C10 | sing | 1.53Å | 0.00Å | |
| C1 | H10 | sing | 1.00Å | 0.00Å | |
| N1 | H12 | sing | 0.88Å | 0.00Å | |
| C7 | H13 | sing | 0.97Å | 0.00Å | |
| C7 | H14 | sing | 0.97Å | 0.00Å | |
| C7 | H15 | sing | 0.97Å | 0.00Å | |
| C8 | H16 | sing | 0.97Å | 0.00Å | |
| C8 | H17 | sing | 0.97Å | 0.00Å | |
| C8 | H18 | sing | 0.97Å | 0.00Å | |
| C9 | H19 | sing | 0.97Å | 0.00Å | |
| C9 | H20 | sing | 0.97Å | 0.00Å | |
| C9 | H21 | sing | 0.97Å | 0.00Å | |
| C10 | H22 | sing | 0.97Å | 0.00Å | |
| C10 | H23 | sing | 0.97Å | 0.00Å | |
| C10 | H24 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C42 | C40 | 137.2° | 125.9° |
| C43 | C42 | N04 | 117.0° | 126.7° |
| C42 | C43 | H8 | 122.6° | 108.7° |
| C42 | C43 | H9 | 122.7° | 109.9° |
| C42 | C43 | C1 | 41.6° | 114.2° |
| C42 | C40 | N07 | 105.2° | 108.3° |
| C40 | C42 | N04 | 105.8° | 107.4° |
| C42 | C40 | H7 | 127.4° | 126.2° |
| C40 | N07 | C36 | 123.0° | 127.6° |
| C40 | N07 | C31 | 113.5° | 108.6° |
| N07 | C40 | H7 | 127.4° | 125.6° |
| C42 | N04 | C32 | 120.1° | 130.5° |
| C42 | N04 | C31 | 113.1° | 108.0° |
| C36 | N07 | C31 | 123.3° | 123.8° |
| N07 | C36 | H4 | 109.5° | 109.6° |
| N07 | C36 | H5 | 109.5° | 109.6° |
| N07 | C36 | H6 | 109.5° | 109.6° |
| N07 | C31 | N04 | 102.2° | 107.7° |
| N07 | C31 | RH01 | 129.9° | 126.1° |
| C32 | N04 | C31 | 126.7° | 121.5° |
| N04 | C32 | H1 | 109.5° | 110.0° |
| N04 | C32 | H2 | 109.5° | 110.0° |
| N04 | C32 | H3 | 109.4° | 109.3° |
| N04 | C31 | RH01 | 127.6° | 126.1° |
| H1 | C32 | H2 | 109.5° | 109.1° |
| H1 | C32 | H3 | 109.5° | 109.2° |
| H2 | C32 | H3 | 109.5° | 109.3° |
| H4 | C36 | H5 | 109.5° | 109.3° |
| H4 | C36 | H6 | 109.5° | 109.3° |
| H5 | C36 | H6 | 109.5° | 109.3° |
| H8 | C43 | H9 | 109.5° | 106.5° |
| H8 | C43 | C1 | 122.7° | 108.4° |
| H9 | C43 | C1 | 122.6° | 108.8° |
| C43 | C1 | C2 | 90.0° | 110.9° |
| C43 | C1 | N1 | 90.0° | 110.4° |
| C43 | C1 | H10 | 90.0° | 108.5° |
| C2 | C1 | N1 | 90.0° | 111.1° |
| C1 | C2 | O2 | 90.0° | 111.2° |
| C1 | C2 | O1 | 90.0° | 123.3° |
| C2 | C1 | H10 | 90.0° | 107.6° |
| C1 | N1 | C4 | 90.0° | 125.4° |
| N1 | C1 | H10 | 90.0° | 108.2° |
| C1 | N1 | H12 | 90.0° | 116.3° |
| N1 | C4 | O3 | 90.0° | 109.0° |
| N1 | C4 | O4 | 90.0° | 124.4° |
| C4 | N1 | H12 | 90.0° | 118.2° |
| O2 | C2 | O1 | 90.0° | 125.5° |
| C2 | O2 | C7 | 90.0° | 121.8° |
| O2 | C7 | H13 | 90.0° | 109.4° |
| O2 | C7 | H14 | 90.0° | 109.3° |
| O2 | C7 | H15 | 90.0° | 109.4° |
| O3 | C4 | O4 | 90.0° | 126.6° |
| C4 | O3 | C6 | 90.0° | 126.6° |
| O3 | C6 | C8 | 90.0° | 111.9° |
| O3 | C6 | C9 | 90.0° | 99.8° |
| O3 | C6 | C10 | 90.0° | 110.3° |
| C8 | C6 | C9 | 90.0° | 111.3° |
| C8 | C6 | C10 | 90.0° | 112.2° |
| C6 | C8 | H16 | 90.0° | 110.0° |
| C6 | C8 | H17 | 90.0° | 109.7° |
| C6 | C8 | H18 | 90.0° | 109.7° |
| C9 | C6 | C10 | 90.0° | 110.8° |
| C6 | C9 | H19 | 90.0° | 109.8° |
| C6 | C9 | H20 | 90.0° | 109.7° |
| C6 | C9 | H21 | 90.0° | 110.1° |
| C6 | C10 | H22 | 90.0° | 110.0° |
| C6 | C10 | H23 | 90.0° | 109.8° |
| C6 | C10 | H24 | 90.0° | 109.9° |
| H13 | C7 | H14 | 90.0° | 109.5° |
| H13 | C7 | H15 | 90.0° | 109.6° |
| H14 | C7 | H15 | 90.0° | 109.6° |
| H16 | C8 | H17 | 90.0° | 109.4° |
| H16 | C8 | H18 | 90.0° | 109.1° |
| H17 | C8 | H18 | 90.0° | 108.9° |
| H19 | C9 | H20 | 90.0° | 108.8° |
| H19 | C9 | H21 | 90.0° | 109.3° |
| H20 | C9 | H21 | 90.0° | 109.2° |
| H22 | C10 | H23 | 90.0° | 109.0° |
| H22 | C10 | H24 | 90.0° | 109.4° |
| H23 | C10 | H24 | 90.0° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C42 | C40 | N04 | 178.5° | 179.9° |
| C43 | C42 | C40 | N07 | 179.1° | 180.0° |
| C43 | C42 | N04 | C32 | 2.0° | 0.1° |
| C43 | C42 | N04 | C31 | 177.0° | 180.0° |
| C43 | C42 | C40 | H7 | 0.9° | 0.1° |
| C42 | C43 | H8 | H9 | 155.0° | 118.4° |
| C42 | C43 | H8 | C1 | 49.9° | 124.7° |
| C42 | C43 | H9 | C1 | 49.9° | 125.7° |
| C42 | C43 | C1 | C2 | 90.0° | 70.6° |
| C42 | C43 | C1 | N1 | 90.0° | 165.8° |
| C42 | C43 | C1 | H10 | 90.0° | 47.4° |
| C42 | C40 | N07 | H7 | 180.0° | 179.9° |
| C42 | C40 | N07 | C36 | 179.1° | 179.9° |
| C42 | C40 | N07 | C31 | 2.9° | 0.0° |
| C40 | C42 | N04 | C32 | 179.1° | 180.0° |
| C40 | C42 | N04 | C31 | 1.8° | 0.0° |
| C40 | C42 | C43 | H8 | 176.7° | 40.7° |
| C40 | C42 | C43 | H9 | 31.5° | 156.9° |
| C40 | C42 | C43 | C1 | 72.6° | 80.5° |
| N07 | C40 | C42 | N04 | 0.6° | 0.1° |
| C40 | N07 | C36 | C31 | 175.8° | 180.0° |
| C40 | N07 | C31 | N04 | 3.9° | 0.0° |
| C40 | N07 | C31 | RH01 | 176.8° | 180.0° |
| C40 | N07 | C36 | H4 | 180.0° | 149.2° |
| C40 | N07 | C36 | H5 | 60.0° | 29.2° |
| C40 | N07 | C36 | H6 | 60.0° | 90.8° |
| C42 | N04 | C31 | N07 | 3.4° | 0.0° |
| C42 | N04 | C32 | C31 | 178.9° | 179.9° |
| C42 | N04 | C31 | RH01 | 176.6° | 180.0° |
| C42 | N04 | C32 | H1 | 180.0° | 164.3° |
| C42 | N04 | C32 | H2 | 60.0° | 44.2° |
| C42 | N04 | C32 | H3 | 60.0° | 75.8° |
| N04 | C42 | C40 | H7 | 179.4° | 180.0° |
| N04 | C42 | C43 | H8 | 1.7° | 139.2° |
| N04 | C42 | C43 | H9 | 150.1° | 23.0° |
| N04 | C42 | C43 | C1 | 105.8° | 99.6° |
| C36 | N07 | C31 | N04 | 180.0° | 180.0° |
| C36 | N07 | C31 | RH01 | 7.0° | 0.1° |
| N07 | C36 | H4 | H5 | 120.0° | 120.2° |
| N07 | C36 | H4 | H6 | 120.0° | 120.2° |
| N07 | C36 | H5 | H6 | 120.0° | 120.2° |
| C36 | N07 | C40 | H7 | 0.9° | 0.0° |
| N07 | C31 | N04 | C32 | 177.6° | 180.0° |
| N07 | C31 | N04 | RH01 | 173.2° | 180.0° |
| C31 | N07 | C36 | H4 | 4.2° | 30.8° |
| C31 | N07 | C36 | H5 | 115.8° | 150.8° |
| C31 | N07 | C36 | H6 | 124.2° | 89.2° |
| C31 | N07 | C40 | H7 | 177.1° | 180.0° |
| C32 | N04 | C31 | RH01 | 4.4° | 0.0° |
| N04 | C32 | H1 | H2 | 120.0° | 120.7° |
| N04 | C32 | H1 | H3 | 120.0° | 119.9° |
| N04 | C32 | H2 | H3 | 120.0° | 120.0° |
| C31 | N04 | C32 | H1 | 1.1° | 15.7° |
| C31 | N04 | C32 | H2 | 121.1° | 135.8° |
| C31 | N04 | C32 | H3 | 118.9° | 104.2° |
| H1 | C32 | H2 | H3 | 120.0° | 119.4° |
| H4 | C36 | H5 | H6 | 120.0° | 119.7° |
| H8 | C43 | H9 | C1 | 155.1° | 116.7° |
| H8 | C43 | C1 | C2 | 90.0° | 168.0° |
| H8 | C43 | C1 | N1 | 90.0° | 44.4° |
| H8 | C43 | C1 | H10 | 90.0° | 74.0° |
| H9 | C43 | C1 | C2 | 90.0° | 52.6° |
| H9 | C43 | C1 | N1 | 90.0° | 71.0° |
| H9 | C43 | C1 | H10 | 90.0° | 170.6° |
| C43 | C1 | C2 | N1 | 90.0° | 123.2° |
| C43 | C1 | C2 | H10 | 90.0° | 118.5° |
| C43 | C1 | N1 | H10 | 90.0° | 118.6° |
| C43 | C1 | N1 | C4 | 90.0° | 89.0° |
| C43 | C1 | C2 | O2 | 90.0° | 101.4° |
| C43 | C1 | C2 | O1 | 90.0° | 78.4° |
| C43 | C1 | N1 | H12 | 90.0° | 90.4° |
| C2 | C1 | N1 | H10 | 90.0° | 117.9° |
| C2 | C1 | N1 | C4 | 90.0° | 147.5° |
| C1 | C2 | O2 | O1 | 90.0° | 179.8° |
| C1 | C2 | O2 | C7 | 90.0° | 179.4° |
| C2 | C1 | N1 | H12 | 90.0° | 33.1° |
| C1 | N1 | C4 | H12 | 90.0° | 179.4° |
| N1 | C1 | C2 | O2 | 90.0° | 135.4° |
| N1 | C1 | C2 | O1 | 90.0° | 44.8° |
| C1 | N1 | C4 | O3 | 90.0° | 180.0° |
| C1 | N1 | C4 | O4 | 90.0° | 0.3° |
| N1 | C4 | O3 | O4 | 90.0° | 179.7° |
| N1 | C4 | O3 | C6 | 90.0° | 180.0° |
| C4 | N1 | C1 | H10 | 90.0° | 29.6° |
| O2 | C2 | C1 | H10 | 90.0° | 17.2° |
| C2 | O2 | C7 | H13 | 90.0° | 59.6° |
| C2 | O2 | C7 | H14 | 90.0° | 179.5° |
| C2 | O2 | C7 | H15 | 90.0° | 60.5° |
| O1 | C2 | O2 | C7 | 90.0° | 0.8° |
| O1 | C2 | C1 | H10 | 90.0° | 163.0° |
| O2 | C7 | H13 | H14 | 90.0° | 119.8° |
| O2 | C7 | H13 | H15 | 90.0° | 120.0° |
| O2 | C7 | H14 | H15 | 90.0° | 119.9° |
| C4 | O3 | C6 | C8 | 90.0° | 61.8° |
| C4 | O3 | C6 | C9 | 90.0° | 179.6° |
| C4 | O3 | C6 | C10 | 90.0° | 63.8° |
| O3 | C4 | N1 | H12 | 90.0° | 0.6° |
| O4 | C4 | O3 | C6 | 90.0° | 0.3° |
| O4 | C4 | N1 | H12 | 90.0° | 179.1° |
| O3 | C6 | C8 | C9 | 90.0° | 110.6° |
| O3 | C6 | C8 | C10 | 90.0° | 124.6° |
| O3 | C6 | C9 | C10 | 90.0° | 116.3° |
| O3 | C6 | C8 | H16 | 90.0° | 174.5° |
| O3 | C6 | C8 | H17 | 90.0° | 54.2° |
| O3 | C6 | C8 | H18 | 90.0° | 65.4° |
| O3 | C6 | C9 | H19 | 90.0° | 59.3° |
| O3 | C6 | C9 | H20 | 90.0° | 60.2° |
| O3 | C6 | C9 | H21 | 90.0° | 179.6° |
| O3 | C6 | C10 | H22 | 90.0° | 173.8° |
| O3 | C6 | C10 | H23 | 90.0° | 66.3° |
| O3 | C6 | C10 | H24 | 90.0° | 53.3° |
| C8 | C6 | C9 | C10 | 90.0° | 125.5° |
| C6 | C8 | H16 | H17 | 90.0° | 120.6° |
| C6 | C8 | H16 | H18 | 90.0° | 120.4° |
| C6 | C8 | H17 | H18 | 90.0° | 120.1° |
| C8 | C6 | C9 | H19 | 90.0° | 177.5° |
| C8 | C6 | C9 | H20 | 90.0° | 58.0° |
| C8 | C6 | C9 | H21 | 90.0° | 62.2° |
| C8 | C6 | C10 | H22 | 90.0° | 60.8° |
| C8 | C6 | C10 | H23 | 90.0° | 59.1° |
| C8 | C6 | C10 | H24 | 90.0° | 178.7° |
| C9 | C6 | C8 | H16 | 90.0° | 63.9° |
| C9 | C6 | C8 | H17 | 90.0° | 56.5° |
| C9 | C6 | C8 | H18 | 90.0° | 176.0° |
| C6 | C9 | H19 | H20 | 90.0° | 120.1° |
| C6 | C9 | H19 | H21 | 90.0° | 120.8° |
| C6 | C9 | H20 | H21 | 90.0° | 120.7° |
| C9 | C6 | C10 | H22 | 90.0° | 64.2° |
| C9 | C6 | C10 | H23 | 90.0° | 175.8° |
| C9 | C6 | C10 | H24 | 90.0° | 56.2° |
| C10 | C6 | C8 | H16 | 90.0° | 60.9° |
| C10 | C6 | C8 | H17 | 90.0° | 178.8° |
| C10 | C6 | C8 | H18 | 90.0° | 59.2° |
| C10 | C6 | C9 | H19 | 90.0° | 56.9° |
| C10 | C6 | C9 | H20 | 90.0° | 176.4° |
| C10 | C6 | C9 | H21 | 90.0° | 63.4° |
| C6 | C10 | H22 | H23 | 90.0° | 120.4° |
| C6 | C10 | H22 | H24 | 90.0° | 120.7° |
| C6 | C10 | H23 | H24 | 90.0° | 120.2° |
| H10 | C1 | N1 | H12 | 90.0° | 151.0° |
| H13 | C7 | H14 | H15 | 90.0° | 120.3° |
| H16 | C8 | H17 | H18 | 90.0° | 119.2° |
| H19 | C9 | H20 | H21 | 90.0° | 119.2° |
| H22 | C10 | H23 | H24 | 90.0° | 119.2° |






