V0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| C02 | C17 | sing | 1.53Å | 1.45Å | |
| C02 | C03 | sing | 1.53Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | N05 | sing | 1.47Å | 1.52Å | |
| N05 | C16 | sing | 1.47Å | 1.52Å | |
| N05 | S06 | sing | 1.66Å | 1.68Å | |
| O07 | S06 | doub | 1.42Å | 1.46Å | |
| S06 | O15 | doub | 1.42Å | 1.47Å | |
| S06 | C08 | sing | 1.76Å | 1.79Å | |
| C08 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | O1 | sing | 1.43Å | 1.42Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| O01 | H16 | sing | 0.97Å | 0.95Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C17 | 108.9° | 109.5° |
| O01 | C02 | C03 | 108.0° | 109.5° |
| O01 | C02 | H1 | 109.5° | 109.4° |
| C02 | O01 | H16 | 109.5° | 114.0° |
| C17 | C02 | C03 | 112.9° | 109.6° |
| C02 | C17 | C16 | 109.9° | 109.3° |
| C17 | C02 | H1 | 108.8° | 109.4° |
| C02 | C17 | H14 | 109.3° | 109.5° |
| C02 | C17 | H15 | 109.4° | 109.5° |
| C02 | C03 | C04 | 114.6° | 109.3° |
| C03 | C02 | H1 | 108.7° | 109.5° |
| C02 | C03 | H2 | 108.2° | 109.5° |
| C02 | C03 | H3 | 108.2° | 109.5° |
| C17 | C16 | N05 | 109.1° | 108.8° |
| C17 | C16 | H12 | 109.6° | 109.6° |
| C17 | C16 | H13 | 109.5° | 109.6° |
| C16 | C17 | H14 | 109.3° | 109.5° |
| C16 | C17 | H15 | 109.3° | 109.5° |
| C03 | C04 | N05 | 111.2° | 108.8° |
| C04 | C03 | H2 | 108.2° | 109.5° |
| C04 | C03 | H3 | 108.2° | 109.5° |
| C03 | C04 | H4 | 109.0° | 109.6° |
| C03 | C04 | H5 | 109.0° | 109.6° |
| C04 | N05 | C16 | 107.7° | 118.7° |
| C04 | N05 | S06 | 121.6° | 120.7° |
| N05 | C04 | H4 | 109.0° | 109.6° |
| N05 | C04 | H5 | 109.1° | 109.6° |
| C16 | N05 | S06 | 116.5° | 120.7° |
| N05 | C16 | H12 | 109.5° | 109.6° |
| N05 | C16 | H13 | 109.6° | 109.7° |
| N05 | S06 | O07 | 116.9° | 106.4° |
| N05 | S06 | O15 | 107.0° | 106.4° |
| N05 | S06 | C08 | 104.8° | 107.2° |
| O07 | S06 | O15 | 109.7° | 123.1° |
| O07 | S06 | C08 | 108.5° | 106.4° |
| O15 | S06 | C08 | 109.6° | 106.4° |
| S06 | C08 | C13 | 117.4° | 120.0° |
| S06 | C08 | C09 | 120.1° | 120.0° |
| C13 | C08 | C09 | 122.5° | 120.0° |
| C08 | C13 | C12 | 119.2° | 120.0° |
| C08 | C13 | H9 | 120.4° | 120.0° |
| C08 | C09 | C10 | 118.7° | 120.0° |
| C08 | C09 | H6 | 120.6° | 120.0° |
| C13 | C12 | C11 | 118.8° | 120.0° |
| C13 | C12 | H8 | 120.6° | 120.0° |
| C12 | C13 | H9 | 120.4° | 120.0° |
| C09 | C10 | C11 | 118.5° | 120.0° |
| C10 | C09 | H6 | 120.6° | 120.0° |
| C09 | C10 | H7 | 120.7° | 120.0° |
| C12 | C11 | C10 | 122.3° | 120.0° |
| C12 | C11 | C14 | 114.4° | 120.0° |
| C11 | C12 | H8 | 120.6° | 119.9° |
| C10 | C11 | C14 | 123.2° | 120.0° |
| C11 | C10 | H7 | 120.7° | 120.0° |
| C11 | C14 | O1 | 115.9° | 109.5° |
| C11 | C14 | H10 | 107.8° | 109.5° |
| C11 | C14 | H11 | 107.8° | 109.5° |
| O1 | C14 | H10 | 107.9° | 109.4° |
| O1 | C14 | H11 | 107.8° | 109.5° |
| C14 | O1 | H17 | 109.5° | 114.1° |
| H2 | C03 | H3 | 109.4° | 109.5° |
| H4 | C04 | H5 | 109.4° | 109.7° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C17 | C03 | 119.9° | 120.1° |
| O01 | C02 | C17 | H1 | 119.3° | 119.9° |
| O01 | C02 | C03 | H1 | 118.7° | 120.0° |
| O01 | C02 | C17 | C16 | 126.9° | 178.6° |
| O01 | C02 | C03 | C04 | 71.0° | 178.6° |
| O01 | C02 | C03 | H2 | 49.8° | 61.5° |
| O01 | C02 | C03 | H3 | 168.2° | 58.6° |
| O01 | C02 | C17 | H14 | 113.1° | 58.6° |
| O01 | C02 | C17 | H15 | 6.8° | 61.5° |
| C17 | C02 | C03 | H1 | 120.9° | 120.0° |
| C02 | C17 | C16 | H14 | 120.1° | 120.0° |
| C02 | C17 | C16 | H15 | 120.1° | 119.9° |
| C17 | C02 | C03 | C04 | 49.4° | 61.4° |
| C02 | C17 | C16 | N05 | 63.7° | 54.6° |
| C17 | C02 | C03 | H2 | 170.2° | 58.6° |
| C17 | C02 | C03 | H3 | 71.4° | 178.7° |
| C02 | C17 | C16 | H12 | 56.2° | 65.2° |
| C02 | C17 | C16 | H13 | 176.3° | 174.5° |
| C02 | C17 | H14 | H15 | 119.8° | 120.1° |
| C17 | C02 | O01 | H16 | 180.0° | 180.0° |
| C03 | C02 | C17 | C16 | 7.0° | 61.3° |
| C02 | C03 | C04 | H2 | 120.8° | 119.9° |
| C02 | C03 | C04 | H3 | 120.8° | 120.0° |
| C02 | C03 | C04 | N05 | 49.4° | 54.7° |
| C02 | C03 | H2 | H3 | 117.7° | 120.1° |
| C02 | C03 | C04 | H4 | 70.8° | 174.4° |
| C02 | C03 | C04 | H5 | 169.7° | 65.2° |
| C03 | C02 | C17 | H14 | 127.0° | 178.7° |
| C03 | C02 | C17 | H15 | 113.1° | 58.6° |
| C03 | C02 | O01 | H16 | 57.0° | 59.9° |
| C17 | C16 | N05 | C04 | 61.4° | 53.6° |
| C17 | C16 | N05 | H12 | 119.9° | 119.9° |
| C17 | C16 | N05 | H13 | 119.9° | 119.9° |
| C17 | C16 | N05 | S06 | 157.9° | 126.3° |
| C16 | C17 | C02 | H1 | 113.9° | 58.7° |
| C17 | C16 | H12 | H13 | 120.2° | 120.3° |
| C16 | C17 | H14 | H15 | 119.8° | 120.1° |
| C03 | C04 | N05 | H4 | 120.3° | 119.8° |
| C03 | C04 | N05 | H5 | 120.3° | 119.8° |
| C03 | C04 | N05 | C16 | 6.6° | 53.6° |
| C03 | C04 | N05 | S06 | 144.9° | 126.4° |
| C04 | C03 | C02 | H1 | 170.3° | 58.6° |
| C04 | C03 | H2 | H3 | 117.6° | 120.0° |
| C03 | C04 | H4 | H5 | 119.2° | 120.3° |
| C04 | N05 | C16 | S06 | 140.7° | 180.0° |
| C04 | N05 | S06 | O07 | 58.8° | 23.6° |
| C04 | N05 | S06 | O15 | 177.7° | 156.5° |
| C04 | N05 | S06 | C08 | 61.3° | 90.0° |
| N05 | C04 | C03 | H2 | 170.2° | 65.3° |
| N05 | C04 | C03 | H3 | 71.4° | 174.7° |
| N05 | C04 | H4 | H5 | 119.2° | 120.4° |
| C04 | N05 | C16 | H12 | 58.5° | 66.2° |
| C04 | N05 | C16 | H13 | 178.7° | 173.5° |
| C16 | N05 | S06 | O07 | 166.2° | 156.4° |
| C16 | N05 | S06 | O15 | 42.8° | 23.5° |
| C16 | N05 | S06 | C08 | 73.6° | 90.0° |
| C16 | N05 | C04 | H4 | 126.8° | 173.4° |
| C16 | N05 | C04 | H5 | 113.7° | 66.2° |
| N05 | C16 | H12 | H13 | 120.2° | 120.3° |
| N05 | C16 | C17 | H14 | 176.2° | 174.6° |
| N05 | C16 | C17 | H15 | 56.4° | 65.3° |
| N05 | S06 | O07 | O15 | 122.1° | 123.0° |
| N05 | S06 | O07 | C08 | 118.2° | 114.1° |
| N05 | S06 | O15 | C08 | 113.2° | 114.1° |
| N05 | S06 | C08 | C13 | 79.2° | 90.0° |
| N05 | S06 | C08 | C09 | 99.6° | 89.8° |
| S06 | N05 | C04 | H4 | 94.8° | 6.6° |
| S06 | N05 | C04 | H5 | 24.6° | 113.8° |
| S06 | N05 | C16 | H12 | 82.2° | 113.8° |
| S06 | N05 | C16 | H13 | 37.9° | 6.5° |
| O07 | S06 | O15 | C08 | 119.1° | 122.9° |
| O07 | S06 | C08 | C13 | 46.4° | 156.4° |
| O07 | S06 | C08 | C09 | 134.8° | 23.8° |
| O15 | S06 | C08 | C13 | 166.3° | 23.5° |
| O15 | S06 | C08 | C09 | 15.0° | 156.7° |
| S06 | C08 | C13 | C09 | 178.8° | 179.7° |
| S06 | C08 | C13 | C12 | 179.2° | 179.7° |
| S06 | C08 | C09 | C10 | 179.6° | 179.7° |
| S06 | C08 | C09 | H6 | 0.4° | 0.3° |
| S06 | C08 | C13 | H9 | 0.8° | 0.3° |
| C08 | C13 | C12 | H9 | 180.0° | 180.0° |
| C13 | C08 | C09 | C10 | 0.9° | 0.0° |
| C08 | C13 | C12 | C11 | 0.7° | 0.1° |
| C13 | C08 | C09 | H6 | 179.1° | 180.0° |
| C08 | C13 | C12 | H8 | 179.3° | 180.0° |
| C09 | C08 | C13 | C12 | 0.5° | 0.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C08 | C09 | C10 | H7 | 179.9° | 180.0° |
| C09 | C08 | C13 | H9 | 179.5° | 179.9° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 1.5° | 0.1° |
| C13 | C12 | C11 | C14 | 179.7° | 180.0° |
| C09 | C10 | C11 | C12 | 1.1° | 0.0° |
| C09 | C10 | C11 | H7 | 180.0° | 180.0° |
| C09 | C10 | C11 | C14 | 179.1° | 180.0° |
| C12 | C11 | C10 | C14 | 178.0° | 180.0° |
| C12 | C11 | C14 | O1 | 172.4° | 90.0° |
| C12 | C11 | C10 | H7 | 178.9° | 180.0° |
| C11 | C12 | C13 | H9 | 179.3° | 179.9° |
| C12 | C11 | C14 | H10 | 51.4° | 30.0° |
| C12 | C11 | C14 | H11 | 66.7° | 150.0° |
| C10 | C11 | C14 | O1 | 9.5° | 90.0° |
| C11 | C10 | C09 | H6 | 179.9° | 180.0° |
| C10 | C11 | C12 | H8 | 178.5° | 180.0° |
| C10 | C11 | C14 | H10 | 130.4° | 150.0° |
| C10 | C11 | C14 | H11 | 111.5° | 30.0° |
| C11 | C14 | O1 | H10 | 120.9° | 120.0° |
| C11 | C14 | O1 | H11 | 120.9° | 120.0° |
| C14 | C11 | C10 | H7 | 0.9° | 0.0° |
| C14 | C11 | C12 | H8 | 0.3° | 0.0° |
| C11 | C14 | H10 | H11 | 117.1° | 120.0° |
| C11 | C14 | O1 | H17 | 180.0° | 180.0° |
| O1 | C14 | H10 | H11 | 117.1° | 120.0° |
| H1 | C02 | C03 | H2 | 68.9° | 178.6° |
| H1 | C02 | C03 | H3 | 49.5° | 61.3° |
| H1 | C02 | C17 | H14 | 6.2° | 61.3° |
| H1 | C02 | C17 | H15 | 126.1° | 178.6° |
| H1 | C02 | O01 | H16 | 61.2° | 60.1° |
| H2 | C03 | C04 | H4 | 49.9° | 54.5° |
| H2 | C03 | C04 | H5 | 69.5° | 174.9° |
| H3 | C03 | C04 | H4 | 168.4° | 65.6° |
| H3 | C03 | C04 | H5 | 48.9° | 54.8° |
| H6 | C09 | C10 | H7 | 0.1° | 0.0° |
| H8 | C12 | C13 | H9 | 0.7° | 0.0° |
| H10 | C14 | O1 | H17 | 59.1° | 60.0° |
| H11 | C14 | O1 | H17 | 59.1° | 60.0° |
| H12 | C16 | C17 | H14 | 63.8° | 54.8° |
| H12 | C16 | C17 | H15 | 176.3° | 174.9° |
| H13 | C16 | C17 | H14 | 56.3° | 65.5° |
| H13 | C16 | C17 | H15 | 63.6° | 54.6° |
