0UT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C07 | C04 | sing | 1.51Å | 1.49Å | |
C04 | O05 | sing | 1.43Å | 1.36Å | |
C04 | C06 | sing | 1.51Å | 65.58Å | |
C04 | C02 | sing | 1.51Å | 1.51Å | |
O01 | C02 | doub | 1.21Å | 1.24Å | |
C02 | O03 | sing | 1.34Å | 1.29Å | |
O03 | H1 | sing | 0.97Å | 0.95Å | |
O05 | H2 | sing | 0.97Å | 0.95Å | |
C06 | C1 | doub | 1.38Å | 0.00Å | Aromatic |
C1 | C2 | sing | 1.38Å | 0.00Å | Aromatic |
C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
C3 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
C5 | C06 | sing | 1.38Å | 0.00Å | Aromatic |
C1 | H9 | sing | 1.08Å | 0.00Å | |
C2 | H10 | sing | 1.08Å | 0.00Å | |
C3 | H11 | sing | 1.08Å | 0.00Å | |
C4 | H12 | sing | 1.08Å | 0.00Å | |
C5 | H13 | sing | 1.08Å | 0.00Å | |
C07 | C6 | sing | 1.38Å | 64.33Å | Aromatic |
C6 | C7 | doub | 1.38Å | 0.00Å | Aromatic |
C7 | C8 | sing | 1.38Å | 0.00Å | Aromatic |
C8 | C9 | doub | 1.38Å | 0.00Å | Aromatic |
C9 | C10 | sing | 1.38Å | 0.00Å | Aromatic |
C10 | C07 | doub | 1.38Å | 64.33Å | Aromatic |
C6 | H3 | sing | 1.08Å | 0.00Å | |
C7 | H4 | sing | 1.08Å | 0.00Å | |
C8 | H5 | sing | 1.08Å | 0.00Å | |
C9 | H6 | sing | 1.08Å | 0.00Å | |
C10 | H7 | sing | 1.08Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C07 | C04 | O05 | 109.9° | 109.5° |
C07 | C04 | C06 | 32.6° | 109.5° |
C07 | C04 | C02 | 109.1° | 109.5° |
C04 | C07 | C6 | 146.7° | 120.0° |
C04 | C07 | C10 | 146.7° | 120.0° |
O05 | C04 | C06 | 89.9° | 109.5° |
O05 | C04 | C02 | 110.5° | 109.4° |
C04 | O05 | H2 | 109.5° | 114.0° |
C06 | C04 | C02 | 94.0° | 109.5° |
C04 | C06 | C1 | 90.0° | 120.0° |
C04 | C06 | C5 | 90.0° | 120.0° |
C04 | C02 | O01 | 114.1° | 120.0° |
C04 | C02 | O03 | 128.5° | 120.0° |
O01 | C02 | O03 | 117.4° | 120.0° |
C02 | O03 | H1 | 109.5° | 117.0° |
C06 | C1 | C2 | 90.0° | 120.0° |
C1 | C06 | C5 | 90.0° | 120.0° |
C06 | C1 | H9 | 90.0° | 120.0° |
C1 | C2 | C3 | 90.0° | 120.0° |
C2 | C1 | H9 | 90.0° | 120.0° |
C1 | C2 | H10 | 90.0° | 120.0° |
C2 | C3 | C4 | 90.0° | 120.0° |
C3 | C2 | H10 | 90.0° | 120.0° |
C2 | C3 | H11 | 90.0° | 120.0° |
C3 | C4 | C5 | 90.0° | 120.0° |
C4 | C3 | H11 | 90.0° | 120.0° |
C3 | C4 | H12 | 90.0° | 120.0° |
C4 | C5 | C06 | 90.0° | 120.0° |
C5 | C4 | H12 | 90.0° | 120.0° |
C4 | C5 | H13 | 90.0° | 120.0° |
C06 | C5 | H13 | 90.0° | 120.0° |
C07 | C6 | C7 | 90.0° | 120.0° |
C6 | C07 | C10 | NaN° | 120.0° |
C07 | C6 | H3 | 90.0° | 120.0° |
C6 | C7 | C8 | 90.0° | 120.0° |
C7 | C6 | H3 | 90.0° | 120.0° |
C6 | C7 | H4 | 90.0° | 120.0° |
C7 | C8 | C9 | 90.0° | 119.9° |
C8 | C7 | H4 | 90.0° | 120.0° |
C7 | C8 | H5 | 90.0° | 120.0° |
C8 | C9 | C10 | 90.0° | 120.0° |
C9 | C8 | H5 | 90.0° | 120.0° |
C8 | C9 | H6 | 90.0° | 120.0° |
C9 | C10 | C07 | 90.0° | 120.0° |
C10 | C9 | H6 | 90.0° | 120.0° |
C9 | C10 | H7 | 90.0° | 120.0° |
C07 | C10 | H7 | 90.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C07 | C04 | O05 | C06 | 26.2° | 120.0° |
C07 | C04 | O05 | C02 | 120.5° | 120.0° |
C07 | C04 | C06 | C02 | 120.0° | 120.0° |
C07 | C04 | C02 | O01 | 65.1° | 126.3° |
C07 | C04 | C02 | O03 | 114.7° | 53.9° |
C07 | C04 | O05 | H2 | 180.0° | 60.0° |
C07 | C04 | C06 | C1 | 90.0° | 71.8° |
C07 | C04 | C06 | C5 | 90.0° | 107.7° |
C04 | C07 | C6 | C10 | 90.0° | 179.8° |
C04 | C07 | C6 | C7 | 90.0° | 180.0° |
C04 | C07 | C10 | C9 | 90.0° | 179.8° |
C04 | C07 | C6 | H3 | 90.0° | 0.0° |
C04 | C07 | C10 | H7 | 90.0° | 0.2° |
O05 | C04 | C06 | C02 | 110.6° | 120.0° |
O05 | C04 | C02 | O01 | 173.9° | 6.4° |
O05 | C04 | C02 | O03 | 6.3° | 173.9° |
O05 | C04 | C06 | C1 | 90.0° | 168.2° |
O05 | C04 | C06 | C5 | 90.0° | 12.4° |
O05 | C04 | C07 | C6 | 55.2° | 2.4° |
O05 | C04 | C07 | C10 | 55.2° | 177.4° |
C06 | C04 | C02 | O01 | 94.7° | 113.6° |
C06 | C04 | C02 | O03 | 85.1° | 66.1° |
C06 | C04 | O05 | H2 | 153.8° | 60.0° |
C04 | C06 | C1 | C5 | 90.0° | 179.4° |
C04 | C06 | C1 | C2 | 90.0° | 180.0° |
C04 | C06 | C5 | C4 | 90.0° | 180.0° |
C04 | C06 | C1 | H9 | 90.0° | 0.4° |
C04 | C06 | C5 | H13 | 90.0° | 0.3° |
C06 | C04 | C07 | C6 | 0.0° | 117.7° |
C06 | C04 | C07 | C10 | 0.0° | 62.6° |
C04 | C02 | O01 | O03 | 179.8° | 179.7° |
C04 | C02 | O03 | H1 | 179.8° | 179.7° |
C02 | C04 | O05 | H2 | 59.5° | 180.0° |
C02 | C04 | C06 | C1 | 90.0° | 48.2° |
C02 | C04 | C06 | C5 | 90.0° | 132.4° |
C02 | C04 | C07 | C6 | 66.1° | 122.3° |
C02 | C04 | C07 | C10 | 66.1° | 57.4° |
O01 | C02 | O03 | H1 | 0.0° | 0.0° |
C06 | C1 | C2 | H9 | 90.0° | 179.6° |
C06 | C1 | C2 | C3 | 90.0° | 0.3° |
C1 | C06 | C5 | C4 | 90.0° | 0.6° |
C06 | C1 | C2 | H10 | 90.0° | 179.7° |
C1 | C06 | C5 | H13 | 90.0° | 179.7° |
C1 | C2 | C3 | H10 | 90.0° | 180.0° |
C1 | C2 | C3 | C4 | 90.0° | 0.1° |
C2 | C1 | C06 | C5 | 90.0° | 0.6° |
C1 | C2 | C3 | H11 | 90.0° | 180.0° |
C2 | C3 | C4 | H11 | 90.0° | 179.9° |
C2 | C3 | C4 | C5 | 90.0° | 0.1° |
C3 | C2 | C1 | H9 | 90.0° | 180.0° |
C2 | C3 | C4 | H12 | 90.0° | 180.0° |
C3 | C4 | C5 | H12 | 90.0° | 179.9° |
C3 | C4 | C5 | C06 | 90.0° | 0.4° |
C4 | C3 | C2 | H10 | 90.0° | 180.0° |
C3 | C4 | C5 | H13 | 90.0° | 179.9° |
C4 | C5 | C06 | H13 | 90.0° | 179.7° |
C5 | C4 | C3 | H11 | 90.0° | 180.0° |
C5 | C06 | C1 | H9 | 90.0° | 179.8° |
C06 | C5 | C4 | H12 | 90.0° | 179.8° |
H9 | C1 | C2 | H10 | 90.0° | 0.1° |
H10 | C2 | C3 | H11 | 90.0° | 0.0° |
H11 | C3 | C4 | H12 | 90.0° | 0.1° |
H12 | C4 | C5 | H13 | 90.0° | 0.0° |
C07 | C6 | C7 | H3 | 90.0° | 179.9° |
C07 | C6 | C7 | C8 | 90.0° | 0.1° |
C6 | C07 | C10 | C9 | 90.0° | 0.5° |
C07 | C6 | C7 | H4 | 90.0° | 180.0° |
C6 | C07 | C10 | H7 | 90.0° | 179.9° |
C6 | C7 | C8 | H4 | 90.0° | 180.0° |
C6 | C7 | C8 | C9 | 90.0° | 0.0° |
C7 | C6 | C07 | C10 | 90.0° | 0.3° |
C6 | C7 | C8 | H5 | 90.0° | 180.0° |
C7 | C8 | C9 | H5 | 90.0° | 180.0° |
C7 | C8 | C9 | C10 | 90.0° | 0.2° |
C8 | C7 | C6 | H3 | 90.0° | 180.0° |
C7 | C8 | C9 | H6 | 90.0° | 180.0° |
C8 | C9 | C10 | H6 | 90.0° | 179.8° |
C8 | C9 | C10 | C07 | 90.0° | 0.4° |
C9 | C8 | C7 | H4 | 90.0° | 180.0° |
C8 | C9 | C10 | H7 | 90.0° | 180.0° |
C9 | C10 | C07 | H7 | 90.0° | 179.6° |
C10 | C9 | C8 | H5 | 90.0° | 179.8° |
C10 | C07 | C6 | H3 | 90.0° | 179.8° |
C07 | C10 | C9 | H6 | 90.0° | 179.8° |
H3 | C6 | C7 | H4 | 90.0° | 0.1° |
H4 | C7 | C8 | H5 | 90.0° | 0.1° |
H5 | C8 | C9 | H6 | 90.0° | 0.1° |
H6 | C9 | C10 | H7 | 90.0° | 0.2° |