92U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N14 | sing | 1.47Å | 1.45Å | |
| N14 | N15 | sing | 1.40Å | 1.33Å | Aromatic |
| N14 | C13 | sing | 1.35Å | 1.31Å | Aromatic |
| N15 | C16 | doub | 1.30Å | 1.30Å | Aromatic |
| C13 | O17 | sing | 1.35Å | 1.40Å | |
| C13 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.47Å | 1.51Å | |
| C19 | N09 | sing | 1.47Å | 1.46Å | |
| O24 | S08 | doub | 1.42Å | 1.47Å | |
| C10 | C02 | sing | 1.48Å | 1.52Å | |
| C10 | O12 | doub | 1.22Å | 1.19Å | |
| C01 | C02 | doub | 1.39Å | 1.44Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.36Å | Aromatic |
| N09 | C06 | sing | 1.41Å | 1.52Å | |
| N09 | S08 | sing | 1.67Å | 1.59Å | |
| C02 | C03 | sing | 1.40Å | 1.50Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.60Å | Aromatic |
| S08 | N07 | sing | 1.67Å | 1.59Å | |
| S08 | O23 | doub | 1.42Å | 1.46Å | |
| C03 | C04 | doub | 1.37Å | 1.44Å | Aromatic |
| C05 | N07 | sing | 1.40Å | 1.52Å | |
| C05 | C04 | sing | 1.40Å | 1.36Å | Aromatic |
| N07 | C21 | sing | 1.46Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.08Å | 1.08Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| O17 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | N14 | N15 | 122.6° | 125.7° |
| C18 | N14 | C13 | 126.3° | 125.8° |
| N14 | C18 | H14 | 109.5° | 109.5° |
| N14 | C18 | H15 | 109.5° | 109.4° |
| N14 | C18 | H16 | 109.5° | 109.5° |
| N15 | N14 | C13 | 111.1° | 108.5° |
| N14 | N15 | C16 | 110.4° | 109.2° |
| N14 | C13 | O17 | 128.0° | 126.4° |
| N14 | C13 | C11 | 105.7° | 107.1° |
| N15 | C16 | C11 | 106.5° | 108.2° |
| N15 | C16 | H13 | 126.7° | 126.0° |
| O17 | C13 | C11 | 126.4° | 126.4° |
| C13 | O17 | H12 | 109.5° | 114.0° |
| C13 | C11 | C16 | 106.3° | 107.0° |
| C13 | C11 | C10 | 127.0° | 126.5° |
| C16 | C11 | C10 | 126.6° | 126.6° |
| C11 | C16 | H13 | 126.8° | 125.9° |
| C20 | C19 | N09 | 112.3° | 109.5° |
| C19 | C20 | H1 | 109.5° | 109.5° |
| C19 | C20 | H2 | 109.5° | 109.5° |
| C19 | C20 | H3 | 109.5° | 109.5° |
| C20 | C19 | H17 | 108.7° | 109.5° |
| C20 | C19 | H18 | 108.8° | 109.5° |
| C11 | C10 | C02 | 119.0° | 120.0° |
| C11 | C10 | O12 | 120.1° | 120.0° |
| C19 | N09 | C06 | 124.7° | 127.4° |
| C19 | N09 | S08 | 127.6° | 127.5° |
| N09 | C19 | H17 | 108.8° | 109.5° |
| N09 | C19 | H18 | 108.8° | 109.4° |
| O24 | S08 | N09 | 109.8° | 107.6° |
| O24 | S08 | N07 | 111.2° | 107.4° |
| O24 | S08 | O23 | 112.6° | 124.0° |
| C02 | C10 | O12 | 120.9° | 120.0° |
| C10 | C02 | C01 | 119.6° | 120.2° |
| C10 | C02 | C03 | 118.8° | 120.2° |
| C02 | C01 | C06 | 119.2° | 120.6° |
| C01 | C02 | C03 | 121.7° | 119.6° |
| C02 | C01 | H9 | 120.4° | 119.7° |
| C01 | C06 | N09 | 132.6° | 126.0° |
| C01 | C06 | C05 | 119.1° | 119.5° |
| C06 | C01 | H9 | 120.4° | 119.7° |
| C06 | N09 | S08 | 107.6° | 105.1° |
| N09 | C06 | C05 | 108.3° | 114.5° |
| N09 | S08 | N07 | 107.3° | 100.4° |
| N09 | S08 | O23 | 108.7° | 107.4° |
| C02 | C03 | C04 | 119.5° | 119.8° |
| C02 | C03 | H10 | 120.3° | 120.1° |
| C06 | C05 | N07 | 108.7° | 114.7° |
| C06 | C05 | C04 | 121.4° | 119.6° |
| N07 | S08 | O23 | 107.0° | 107.4° |
| S08 | N07 | C05 | 107.7° | 105.2° |
| S08 | N07 | C21 | 128.0° | 127.4° |
| C03 | C04 | C05 | 119.2° | 121.0° |
| C04 | C03 | H10 | 120.3° | 120.1° |
| C03 | C04 | H11 | 120.4° | 119.5° |
| N07 | C05 | C04 | 129.9° | 125.7° |
| C05 | N07 | C21 | 124.3° | 127.4° |
| C05 | C04 | H11 | 120.4° | 119.6° |
| N07 | C21 | C22 | 114.0° | 109.5° |
| N07 | C21 | H4 | 108.4° | 109.4° |
| N07 | C21 | H5 | 108.3° | 109.5° |
| C22 | C21 | H4 | 108.3° | 109.4° |
| C22 | C21 | H5 | 108.3° | 109.5° |
| C21 | C22 | H6 | 109.5° | 109.5° |
| C21 | C22 | H7 | 109.5° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.4° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H1 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.4° | 109.5° |
| H6 | C22 | H8 | 109.4° | 109.4° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H16 | 109.5° | 109.6° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | N14 | N15 | C13 | 179.9° | 180.0° |
| C18 | N14 | N15 | C16 | 179.9° | 179.9° |
| C18 | N14 | C13 | O17 | 0.0° | 0.0° |
| C18 | N14 | C13 | C11 | 180.0° | 179.8° |
| N14 | C18 | H14 | H15 | 120.0° | 119.9° |
| N14 | C18 | H14 | H16 | 120.0° | 120.1° |
| N14 | C18 | H15 | H16 | 120.0° | 119.9° |
| N15 | N14 | C13 | O17 | 179.9° | 180.0° |
| N15 | N14 | C13 | C11 | 0.1° | 0.2° |
| N14 | N15 | C16 | C11 | 0.0° | 0.1° |
| N14 | N15 | C16 | H13 | 180.0° | 180.0° |
| N15 | N14 | C18 | H14 | 0.0° | 90.0° |
| N15 | N14 | C18 | H15 | 120.0° | 150.1° |
| N15 | N14 | C18 | H16 | 120.0° | 30.1° |
| C13 | N14 | N15 | C16 | 0.0° | 0.1° |
| N14 | C13 | O17 | C11 | 180.0° | 179.8° |
| N14 | C13 | C11 | C16 | 0.1° | 0.2° |
| N14 | C13 | C11 | C10 | 179.7° | 179.8° |
| C13 | N14 | C18 | H14 | 179.9° | 90.1° |
| C13 | N14 | C18 | H15 | 60.1° | 29.9° |
| C13 | N14 | C18 | H16 | 59.9° | 149.8° |
| N14 | C13 | O17 | H12 | 172.9° | 90.2° |
| N15 | C16 | C11 | C13 | 0.0° | 0.2° |
| N15 | C16 | C11 | H13 | 180.0° | 179.9° |
| N15 | C16 | C11 | C10 | 179.7° | 179.8° |
| O17 | C13 | C11 | C16 | 179.9° | 180.0° |
| O17 | C13 | C11 | C10 | 0.3° | 0.0° |
| C13 | C11 | C16 | C10 | 179.6° | 180.0° |
| C13 | C11 | C10 | C02 | 162.0° | 174.4° |
| C13 | C11 | C10 | O12 | 19.5° | 5.9° |
| C13 | C11 | C16 | H13 | 180.0° | 179.9° |
| C11 | C13 | O17 | H12 | 7.1° | 90.0° |
| C16 | C11 | C10 | C02 | 18.4° | 5.6° |
| C16 | C11 | C10 | O12 | 160.1° | 174.1° |
| C20 | C19 | N09 | H17 | 120.4° | 120.0° |
| C20 | C19 | N09 | H18 | 120.4° | 120.1° |
| C20 | C19 | N09 | C06 | 134.4° | 85.0° |
| C20 | C19 | N09 | S08 | 48.8° | 95.0° |
| C19 | C20 | H1 | H2 | 120.0° | 120.0° |
| C19 | C20 | H1 | H3 | 120.0° | 120.0° |
| C19 | C20 | H2 | H3 | 120.0° | 120.0° |
| C20 | C19 | H17 | H18 | 118.7° | 120.1° |
| C11 | C10 | C02 | O12 | 178.5° | 179.8° |
| C11 | C10 | C02 | C01 | 107.4° | 151.6° |
| C11 | C10 | C02 | C03 | 72.9° | 28.4° |
| C10 | C11 | C16 | H13 | 0.3° | 0.1° |
| C19 | N09 | S08 | O24 | 68.4° | 67.8° |
| C19 | N09 | C06 | C01 | 6.1° | 0.0° |
| C19 | N09 | C06 | S08 | 177.3° | 180.0° |
| C19 | N09 | C06 | C05 | 172.3° | 180.0° |
| C19 | N09 | S08 | N07 | 170.6° | 180.0° |
| C19 | N09 | S08 | O23 | 55.1° | 67.9° |
| N09 | C19 | C20 | H1 | 180.0° | 60.0° |
| N09 | C19 | C20 | H2 | 60.0° | 180.0° |
| N09 | C19 | C20 | H3 | 60.0° | 60.0° |
| N09 | C19 | H17 | H18 | 118.7° | 119.9° |
| O24 | S08 | N09 | C06 | 114.4° | 112.2° |
| O24 | S08 | N09 | N07 | 121.0° | 112.2° |
| O24 | S08 | N09 | O23 | 123.5° | 135.6° |
| O24 | S08 | N07 | O23 | 123.3° | 135.5° |
| O24 | S08 | N07 | C05 | 114.4° | 112.4° |
| O24 | S08 | N07 | C21 | 67.1° | 67.7° |
| C10 | C02 | C01 | C03 | 179.8° | 180.0° |
| C10 | C02 | C01 | C06 | 179.1° | 180.0° |
| C10 | C02 | C03 | C04 | 179.1° | 180.0° |
| C10 | C02 | C01 | H9 | 0.9° | 0.2° |
| C10 | C02 | C03 | H10 | 0.9° | 0.0° |
| O12 | C10 | C02 | C01 | 74.2° | 28.1° |
| O12 | C10 | C02 | C03 | 105.6° | 151.9° |
| C02 | C01 | C06 | H9 | 180.0° | 179.8° |
| C02 | C01 | C06 | N09 | 178.3° | 180.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.1° |
| C01 | C02 | C03 | C04 | 0.7° | 0.0° |
| C01 | C02 | C03 | H10 | 179.4° | 180.0° |
| C01 | C06 | N09 | C05 | 178.4° | 180.0° |
| C01 | C06 | N09 | S08 | 176.6° | 180.0° |
| C06 | C01 | C02 | C03 | 0.7° | 0.0° |
| C01 | C06 | C05 | N07 | 179.9° | 180.0° |
| C01 | C06 | C05 | C04 | 0.8° | 0.1° |
| C06 | N09 | S08 | N07 | 6.7° | 0.0° |
| C06 | N09 | S08 | O23 | 122.1° | 112.2° |
| N09 | C06 | C05 | N07 | 1.4° | 0.0° |
| N09 | C06 | C05 | C04 | 179.5° | 180.0° |
| N09 | C06 | C01 | H9 | 1.7° | 0.2° |
| C06 | N09 | C19 | H17 | 14.0° | 35.0° |
| C06 | N09 | C19 | H18 | 105.2° | 154.9° |
| S08 | N09 | C06 | C05 | 5.0° | 0.0° |
| N09 | S08 | N07 | O23 | 116.5° | 112.2° |
| N09 | S08 | N07 | C05 | 5.8° | 0.0° |
| N09 | S08 | N07 | C21 | 172.8° | 180.0° |
| S08 | N09 | C19 | H17 | 169.2° | 145.0° |
| S08 | N09 | C19 | H18 | 71.6° | 25.1° |
| C02 | C03 | C04 | H10 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C01 | H9 | 179.3° | 179.8° |
| C02 | C03 | C04 | H11 | 179.8° | 180.0° |
| C06 | C05 | N07 | S08 | 2.8° | 0.0° |
| C06 | C05 | C04 | C03 | 0.9° | 0.0° |
| C06 | C05 | N07 | C04 | 179.0° | 179.9° |
| C06 | C05 | N07 | C21 | 175.9° | 180.0° |
| C05 | C06 | C01 | H9 | 180.0° | 179.8° |
| C06 | C05 | C04 | H11 | 179.1° | 180.0° |
| S08 | N07 | C05 | C21 | 178.6° | 180.0° |
| S08 | N07 | C05 | C04 | 176.2° | 179.9° |
| S08 | N07 | C21 | C22 | 37.0° | 95.0° |
| S08 | N07 | C21 | H4 | 157.7° | 145.0° |
| S08 | N07 | C21 | H5 | 83.6° | 25.0° |
| O23 | S08 | N07 | C05 | 122.3° | 112.1° |
| O23 | S08 | N07 | C21 | 56.3° | 67.8° |
| C03 | C04 | C05 | N07 | 179.7° | 179.9° |
| C03 | C04 | C05 | H11 | 180.0° | 180.0° |
| C05 | N07 | C21 | C22 | 144.6° | 85.0° |
| C05 | N07 | C21 | H4 | 23.9° | 35.0° |
| C05 | N07 | C21 | H5 | 94.7° | 155.0° |
| N07 | C05 | C04 | H11 | 0.3° | 0.1° |
| C04 | C05 | N07 | C21 | 5.2° | 0.1° |
| C05 | C04 | C03 | H10 | 179.8° | 180.0° |
| N07 | C21 | C22 | H4 | 120.7° | 119.9° |
| N07 | C21 | C22 | H5 | 120.6° | 120.0° |
| N07 | C21 | H4 | H5 | 118.0° | 120.0° |
| N07 | C21 | C22 | H6 | 180.0° | 180.0° |
| N07 | C21 | C22 | H7 | 60.0° | 60.0° |
| N07 | C21 | C22 | H8 | 60.0° | 60.1° |
| C22 | C21 | H4 | H5 | 117.9° | 120.0° |
| C21 | C22 | H6 | H7 | 120.0° | 120.1° |
| C21 | C22 | H6 | H8 | 120.0° | 120.0° |
| C21 | C22 | H7 | H8 | 120.0° | 120.0° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H1 | C20 | C19 | H17 | 59.6° | 180.0° |
| H1 | C20 | C19 | H18 | 59.6° | 60.0° |
| H2 | C20 | C19 | H17 | 60.4° | 60.0° |
| H2 | C20 | C19 | H18 | 179.6° | 60.0° |
| H3 | C20 | C19 | H17 | 179.6° | 60.0° |
| H3 | C20 | C19 | H18 | 60.4° | 180.0° |
| H4 | C21 | C22 | H6 | 59.3° | 60.0° |
| H4 | C21 | C22 | H7 | 179.3° | 60.0° |
| H4 | C21 | C22 | H8 | 60.7° | 180.0° |
| H5 | C21 | C22 | H6 | 59.4° | 60.0° |
| H5 | C21 | C22 | H7 | 60.6° | 180.0° |
| H5 | C21 | C22 | H8 | 179.4° | 60.0° |
| H6 | C22 | H7 | H8 | 120.0° | 119.9° |
| H10 | C03 | C04 | H11 | 0.2° | 0.0° |
| H14 | C18 | H15 | H16 | 120.0° | 120.1° |
