U3X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C10 | C09 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C09 | C08 | sing | 1.53Å | 1.50Å | |
| C13 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C07 | N01 | sing | 1.46Å | 1.46Å | |
| N01 | C06 | sing | 1.40Å | 1.47Å | |
| C06 | C01 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | CB | sing | 1.51Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C04 | H03 | sing | 1.08Å | 1.08Å | |
| C05 | H04 | sing | 1.08Å | 1.08Å | |
| N01 | H05 | sing | 0.97Å | 1.00Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H06 | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| CB | H20 | sing | 1.09Å | 1.10Å | |
| CB | H19 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 37.79Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 112.8° | 109.4° |
| C11 | C10 | C09 | 111.1° | 109.5° |
| C11 | C10 | H11 | 109.1° | 109.5° |
| C11 | C10 | H12 | 109.1° | 109.5° |
| C10 | C11 | H14 | 108.6° | 109.5° |
| C10 | C11 | H13 | 108.6° | 109.4° |
| C11 | C12 | C13 | 111.3° | 109.5° |
| C12 | C11 | H14 | 108.6° | 109.5° |
| C12 | C11 | H13 | 108.6° | 109.5° |
| C11 | C12 | H16 | 109.0° | 109.5° |
| C11 | C12 | H15 | 109.1° | 109.5° |
| C10 | C09 | C08 | 109.9° | 109.5° |
| C10 | C09 | H09 | 109.3° | 109.4° |
| C10 | C09 | H10 | 109.4° | 109.5° |
| C09 | C10 | H11 | 109.1° | 109.5° |
| C09 | C10 | H12 | 109.1° | 109.5° |
| C12 | C13 | C08 | 110.2° | 109.4° |
| C13 | C12 | H16 | 109.0° | 109.5° |
| C13 | C12 | H15 | 109.0° | 109.5° |
| C12 | C13 | H17 | 109.3° | 109.4° |
| C12 | C13 | H18 | 109.3° | 109.5° |
| C09 | C08 | C13 | 108.9° | 109.5° |
| C09 | C08 | C07 | 107.5° | 109.5° |
| C09 | C08 | H08 | 107.4° | 109.5° |
| C08 | C09 | H09 | 109.4° | 109.5° |
| C08 | C09 | H10 | 109.3° | 109.5° |
| C13 | C08 | C07 | 118.0° | 109.4° |
| C13 | C08 | H08 | 107.2° | 109.5° |
| C08 | C13 | H17 | 109.3° | 109.5° |
| C08 | C13 | H18 | 109.3° | 109.5° |
| C08 | C07 | N01 | 116.5° | 109.5° |
| C08 | C07 | H07 | 107.7° | 109.5° |
| C08 | C07 | H06 | 107.7° | 109.5° |
| C07 | C08 | H08 | 107.3° | 109.4° |
| C07 | N01 | C06 | 118.4° | 120.0° |
| C07 | N01 | H05 | 107.2° | 120.0° |
| N01 | C07 | H07 | 107.7° | 109.4° |
| N01 | C07 | H06 | 107.7° | 109.5° |
| N01 | C06 | C01 | 121.5° | 120.1° |
| N01 | C06 | C05 | 119.8° | 120.0° |
| C06 | N01 | H05 | 107.2° | 119.9° |
| C01 | C06 | C05 | 118.7° | 119.8° |
| C06 | C01 | C02 | 120.4° | 120.0° |
| C06 | C01 | H01 | 119.8° | 120.0° |
| C06 | C05 | C04 | 120.6° | 119.9° |
| C06 | C05 | H04 | 119.7° | 120.1° |
| C01 | C02 | C03 | 120.6° | 120.0° |
| C02 | C01 | H01 | 119.8° | 120.0° |
| C01 | C02 | H02 | 119.7° | 120.0° |
| C05 | C04 | C03 | 120.1° | 120.1° |
| C05 | C04 | H03 | 119.9° | 120.0° |
| C04 | C05 | H04 | 119.7° | 120.0° |
| C02 | C03 | C04 | 119.5° | 120.2° |
| C02 | C03 | CB | 118.2° | 119.9° |
| C03 | C02 | H02 | 119.7° | 120.0° |
| C04 | C03 | CB | 122.3° | 119.9° |
| C03 | C04 | H03 | 119.9° | 119.9° |
| C03 | CB | CA | 115.5° | 109.5° |
| C03 | CB | H20 | 107.9° | 109.4° |
| C03 | CB | H19 | 107.9° | 109.5° |
| CB | CA | N | 107.1° | 109.5° |
| CB | CA | C | 108.2° | 109.4° |
| CA | CB | H20 | 108.0° | 109.5° |
| CA | CB | H19 | 107.9° | 109.4° |
| CB | CA | HA | 109.4° | 109.4° |
| N | CA | C | 112.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| N | CA | HA | 110.1° | 109.5° |
| CA | C | O | 120.7° | 119.9° |
| C | CA | HA | 109.2° | 109.4° |
| CA | C | OXT | 82.3° | 120.0° |
| O | C | OXT | 56.2° | 120.1° |
| H | N | H2 | 109.5° | 111.0° |
| H07 | C07 | H06 | 109.5° | 109.5° |
| H09 | C09 | H10 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H14 | C11 | H13 | 109.5° | 109.5° |
| H16 | C12 | H15 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.6° |
| H20 | CB | H19 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H14 | 120.5° | 120.0° |
| C10 | C11 | C12 | H13 | 120.5° | 120.0° |
| C11 | C10 | C09 | H11 | 120.2° | 120.0° |
| C11 | C10 | C09 | H12 | 120.2° | 120.0° |
| C10 | C11 | C12 | C13 | 52.8° | 60.0° |
| C11 | C10 | C09 | C08 | 57.9° | 60.0° |
| C11 | C10 | C09 | H09 | 178.0° | 60.0° |
| C11 | C10 | C09 | H10 | 62.1° | 180.0° |
| C11 | C10 | H11 | H12 | 119.3° | 120.0° |
| C10 | C11 | H14 | H13 | 118.5° | 120.0° |
| C10 | C11 | C12 | H16 | 173.0° | 180.0° |
| C10 | C11 | C12 | H15 | 67.5° | 60.0° |
| C12 | C11 | C10 | C09 | 54.0° | 60.0° |
| C11 | C12 | C13 | H16 | 120.2° | 120.0° |
| C11 | C12 | C13 | H15 | 120.3° | 120.0° |
| C11 | C12 | C13 | C08 | 55.4° | 60.0° |
| C12 | C11 | C10 | H11 | 66.2° | 180.0° |
| C12 | C11 | C10 | H12 | 174.2° | 60.0° |
| C12 | C11 | H14 | H13 | 118.5° | 120.1° |
| C11 | C12 | H16 | H15 | 119.2° | 120.0° |
| C11 | C12 | C13 | H17 | 64.8° | 180.0° |
| C11 | C12 | C13 | H18 | 175.5° | 59.9° |
| C10 | C09 | C08 | H09 | 120.0° | 120.0° |
| C10 | C09 | C08 | H10 | 120.1° | 120.0° |
| C10 | C09 | C08 | C13 | 60.8° | 60.0° |
| C10 | C09 | C08 | C07 | 170.2° | 180.0° |
| C10 | C09 | C08 | H08 | 55.1° | 60.1° |
| C10 | C09 | H09 | H10 | 119.8° | 120.0° |
| C09 | C10 | H11 | H12 | 119.3° | 120.0° |
| C09 | C10 | C11 | H14 | 66.5° | 60.0° |
| C09 | C10 | C11 | H13 | 174.5° | 180.0° |
| C12 | C13 | C08 | C09 | 59.5° | 60.0° |
| C12 | C13 | C08 | H17 | 120.1° | 119.9° |
| C12 | C13 | C08 | H18 | 120.1° | 120.0° |
| C12 | C13 | C08 | C07 | 177.6° | 180.0° |
| C12 | C13 | C08 | H08 | 56.4° | 60.0° |
| C13 | C12 | C11 | H14 | 67.7° | 59.9° |
| C13 | C12 | C11 | H13 | 173.3° | 180.0° |
| C13 | C12 | H16 | H15 | 119.2° | 120.0° |
| C12 | C13 | H17 | H18 | 119.7° | 120.0° |
| C09 | C08 | C13 | C07 | 122.9° | 120.0° |
| C09 | C08 | C13 | H08 | 115.9° | 120.0° |
| C09 | C08 | C07 | H08 | 115.2° | 120.0° |
| C09 | C08 | C07 | N01 | 147.1° | 175.0° |
| C09 | C08 | C07 | H07 | 91.8° | 65.0° |
| C09 | C08 | C07 | H06 | 26.1° | 55.0° |
| C08 | C09 | H09 | H10 | 119.8° | 120.0° |
| C08 | C09 | C10 | H11 | 62.3° | 180.0° |
| C08 | C09 | C10 | H12 | 178.2° | 60.0° |
| C09 | C08 | C13 | H17 | 60.6° | 179.9° |
| C09 | C08 | C13 | H18 | 179.6° | 59.9° |
| C13 | C08 | C07 | H08 | 121.2° | 120.0° |
| C13 | C08 | C07 | N01 | 23.6° | 65.0° |
| C13 | C08 | C07 | H07 | 144.6° | 55.0° |
| C13 | C08 | C07 | H06 | 97.5° | 175.0° |
| C13 | C08 | C09 | H09 | 179.2° | 60.0° |
| C13 | C08 | C09 | H10 | 59.3° | 180.0° |
| C08 | C13 | C12 | H16 | 175.6° | 180.0° |
| C08 | C13 | C12 | H15 | 64.9° | 60.0° |
| C08 | C13 | H17 | H18 | 119.7° | 120.1° |
| C08 | C07 | N01 | H07 | 121.0° | 120.0° |
| C08 | C07 | N01 | H06 | 121.0° | 120.0° |
| C08 | C07 | N01 | C06 | 142.3° | 180.0° |
| C08 | C07 | N01 | H05 | 96.4° | 0.0° |
| C08 | C07 | H07 | H06 | 116.8° | 120.0° |
| C07 | C08 | C09 | H09 | 50.2° | 60.0° |
| C07 | C08 | C09 | H10 | 69.7° | 60.0° |
| C07 | C08 | C13 | H17 | 62.3° | 60.1° |
| C07 | C08 | C13 | H18 | 57.5° | 60.1° |
| C07 | N01 | C06 | H05 | 121.3° | 179.9° |
| C07 | N01 | C06 | C01 | 7.8° | 180.0° |
| C07 | N01 | C06 | C05 | 170.2° | 0.5° |
| N01 | C07 | H07 | H06 | 116.8° | 120.0° |
| N01 | C07 | C08 | H08 | 97.6° | 55.0° |
| N01 | C06 | C01 | C05 | 178.0° | 179.5° |
| N01 | C06 | C01 | C02 | 178.5° | 179.9° |
| N01 | C06 | C05 | C04 | 178.5° | 180.0° |
| N01 | C06 | C01 | H01 | 1.5° | 0.2° |
| N01 | C06 | C05 | H04 | 1.4° | 0.3° |
| C06 | N01 | C07 | H07 | 21.3° | 60.0° |
| C06 | N01 | C07 | H06 | 96.7° | 59.9° |
| C06 | C01 | C02 | H01 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.5° | 0.5° |
| C06 | C01 | C02 | C03 | 0.0° | 0.1° |
| C06 | C01 | C02 | H02 | 180.0° | 179.8° |
| C01 | C06 | C05 | H04 | 179.5° | 179.8° |
| C01 | C06 | N01 | H05 | 113.5° | 0.0° |
| C05 | C06 | C01 | C02 | 0.5° | 0.4° |
| C06 | C05 | C04 | H04 | 180.0° | 179.7° |
| C06 | C05 | C04 | C03 | 0.0° | 0.3° |
| C05 | C06 | C01 | H01 | 179.5° | 179.6° |
| C06 | C05 | C04 | H03 | 180.0° | 179.7° |
| C05 | C06 | N01 | H05 | 68.6° | 179.5° |
| C01 | C02 | C03 | H02 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.5° | 0.1° |
| C01 | C02 | C03 | CB | 178.3° | 179.9° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | H03 | 180.0° | 180.0° |
| C05 | C04 | C03 | CB | 178.2° | 180.0° |
| C02 | C03 | C04 | CB | 177.7° | 180.0° |
| C02 | C03 | CB | CA | 142.4° | 90.0° |
| C03 | C02 | C01 | H01 | 180.0° | 180.0° |
| C02 | C03 | C04 | H03 | 179.5° | 180.0° |
| C02 | C03 | CB | H20 | 96.7° | 150.0° |
| C02 | C03 | CB | H19 | 21.5° | 30.0° |
| C04 | C03 | CB | CA | 39.9° | 90.0° |
| C04 | C03 | C02 | H02 | 179.6° | 180.0° |
| C03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C04 | C03 | CB | H20 | 81.0° | 30.0° |
| C04 | C03 | CB | H19 | 160.8° | 150.0° |
| C03 | CB | CA | H20 | 120.9° | 120.0° |
| C03 | CB | CA | H19 | 120.9° | 120.0° |
| C03 | CB | CA | N | 69.7° | 65.0° |
| C03 | CB | CA | C | 168.5° | 175.0° |
| CB | C03 | C02 | H02 | 1.7° | 0.0° |
| CB | C03 | C04 | H03 | 1.8° | 0.0° |
| C03 | CB | H20 | H19 | 117.2° | 120.0° |
| C03 | CB | CA | HA | 49.6° | 55.1° |
| CB | CA | N | C | 118.9° | 120.0° |
| CB | CA | N | HA | 118.9° | 120.0° |
| CB | CA | C | HA | 118.9° | 119.9° |
| CB | CA | C | O | 89.9° | 100.1° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | H20 | H19 | 117.2° | 120.0° |
| CB | CA | C | OXT | 47.1° | 79.7° |
| N | CA | C | HA | 122.8° | 120.1° |
| N | CA | C | O | 28.3° | 19.9° |
| CA | N | H | H2 | 120.0° | 124.1° |
| N | CA | CB | H20 | 169.4° | 175.0° |
| N | CA | CB | H19 | 51.2° | 55.0° |
| N | CA | C | OXT | 71.2° | 160.3° |
| CA | C | O | OXT | 54.2° | 179.8° |
| C | CA | N | H | 61.1° | 59.9° |
| C | CA | N | H2 | 58.9° | 176.0° |
| C | CA | CB | H20 | 47.6° | 55.0° |
| C | CA | CB | H19 | 70.6° | 65.1° |
| CA | C | OXT | HXT | 90.0° | 179.8° |
| O | C | CA | HA | 151.1° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| H | N | CA | HA | 61.1° | 180.0° |
| H2 | N | CA | HA | 178.8° | 56.0° |
| H01 | C01 | C02 | H02 | 0.0° | 0.1° |
| H03 | C04 | C05 | H04 | 0.0° | 0.0° |
| H05 | N01 | C07 | H07 | 142.5° | 120.0° |
| H05 | N01 | C07 | H06 | 24.6° | 120.0° |
| H07 | C07 | C08 | H08 | 23.4° | 175.0° |
| H06 | C07 | C08 | H08 | 141.4° | 65.0° |
| H08 | C08 | C09 | H09 | 65.0° | 180.0° |
| H08 | C08 | C09 | H10 | 175.1° | 60.0° |
| H08 | C08 | C13 | H17 | 176.5° | 59.9° |
| H08 | C08 | C13 | H18 | 63.7° | 180.0° |
| H09 | C09 | C10 | H11 | 57.7° | 60.0° |
| H09 | C09 | C10 | H12 | 61.8° | 179.9° |
| H10 | C09 | C10 | H11 | 177.6° | 59.9° |
| H10 | C09 | C10 | H12 | 58.1° | 60.0° |
| H11 | C10 | C11 | H14 | 173.3° | 60.0° |
| H11 | C10 | C11 | H13 | 54.3° | 60.0° |
| H12 | C10 | C11 | H14 | 53.8° | 180.0° |
| H12 | C10 | C11 | H13 | 65.3° | 60.0° |
| H14 | C11 | C12 | H16 | 52.5° | 60.0° |
| H14 | C11 | C12 | H15 | 172.0° | 180.0° |
| H13 | C11 | C12 | H16 | 66.5° | 60.0° |
| H13 | C11 | C12 | H15 | 53.0° | 60.0° |
| H16 | C12 | C13 | H17 | 55.5° | 60.0° |
| H16 | C12 | C13 | H18 | 64.3° | 60.0° |
| H15 | C12 | C13 | H17 | 175.0° | 60.0° |
| H15 | C12 | C13 | H18 | 55.2° | 180.0° |
| H20 | CB | CA | HA | 71.3° | 64.9° |
| H19 | CB | CA | HA | 170.5° | 175.0° |
| HA | CA | C | OXT | 166.0° | 40.2° |
