Obsolete: Q7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C31 | doub | 1.21Å | 1.25Å | |
| O32 | C31 | sing | 1.35Å | 1.24Å | |
| C31 | C3 | sing | 1.48Å | 1.50Å | |
| O71 | C7 | doub | 1.21Å | 1.22Å | |
| S21 | C22 | sing | 1.81Å | 1.85Å | |
| S21 | C2 | sing | 1.81Å | 1.87Å | |
| C3 | N4 | doub | 1.27Å | 1.27Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.55Å | 1.56Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C61 | sing | 1.53Å | 1.55Å | |
| C23 | N24 | sing | 1.46Å | 1.49Å | |
| N24 | C25 | sing | 1.37Å | 1.40Å | |
| C5 | C1 | sing | 1.55Å | 1.56Å | |
| C25 | N26 | doub | 1.29Å | 1.30Å | |
| C62 | C61 | sing | 1.53Å | 1.54Å | |
| C61 | O62 | sing | 1.43Å | 1.41Å | |
| C62 | H1 | sing | 1.09Å | 1.10Å | |
| C61 | H4 | sing | 1.09Å | 1.10Å | |
| O62 | H5 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O32 | H11 | sing | 0.97Å | 0.95Å | |
| C2 | H131 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| N26 | H18 | sing | 0.97Å | 1.00Å | |
| C7 | O1 | sing | 1.34Å | 27.25Å | |
| O1 | H7 | sing | 0.97Å | 0.00Å | |
| C62 | H2 | sing | 1.09Å | 1.10Å | |
| C62 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C31 | O32 | 131.4° | 120.0° |
| O31 | C31 | C3 | 112.0° | 120.0° |
| O32 | C31 | C3 | 116.6° | 120.0° |
| C31 | O32 | H11 | 109.5° | 117.0° |
| C31 | C3 | N4 | 119.3° | 124.4° |
| C31 | C3 | C2 | 120.6° | 124.4° |
| O71 | C7 | C6 | 123.6° | 120.0° |
| O71 | C7 | O1 | 23.2° | 120.0° |
| C22 | S21 | C2 | 112.8° | 103.0° |
| S21 | C22 | C23 | 108.0° | 109.5° |
| S21 | C22 | H14 | 109.8° | 109.5° |
| S21 | C22 | H13 | 109.9° | 109.5° |
| S21 | C2 | C3 | 110.9° | 110.5° |
| S21 | C2 | C1 | 112.8° | 110.5° |
| S21 | C2 | H131 | 108.3° | 110.6° |
| N4 | C3 | C2 | 117.6° | 111.2° |
| C3 | N4 | C5 | 109.6° | 112.6° |
| C3 | C2 | C1 | 99.9° | 103.8° |
| C3 | C2 | H131 | 112.8° | 110.6° |
| C22 | C23 | N24 | 112.9° | 109.4° |
| C23 | C22 | H14 | 109.8° | 109.4° |
| C23 | C22 | H13 | 109.8° | 109.5° |
| C22 | C23 | H15 | 108.6° | 109.4° |
| C22 | C23 | H16 | 108.6° | 109.4° |
| N4 | C5 | C6 | 109.2° | 110.3° |
| N4 | C5 | C1 | 105.8° | 105.1° |
| N4 | C5 | H8 | 108.9° | 110.4° |
| C7 | C6 | C5 | 109.7° | 109.5° |
| C7 | C6 | C61 | 106.7° | 109.5° |
| C7 | C6 | H6 | 109.3° | 109.5° |
| C6 | C7 | O1 | 111.1° | 120.1° |
| C2 | C1 | C5 | 105.9° | 100.8° |
| C2 | C1 | H10 | 110.3° | 111.1° |
| C2 | C1 | H9 | 110.4° | 111.2° |
| C1 | C2 | H131 | 112.1° | 110.6° |
| C5 | C6 | C61 | 113.4° | 109.5° |
| C6 | C5 | C1 | 116.7° | 110.3° |
| C5 | C6 | H6 | 108.9° | 109.5° |
| C6 | C5 | H8 | 108.2° | 110.3° |
| C6 | C61 | C62 | 111.1° | 109.5° |
| C6 | C61 | O62 | 108.9° | 109.5° |
| C6 | C61 | H4 | 108.5° | 109.5° |
| C61 | C6 | H6 | 108.7° | 109.5° |
| C23 | N24 | C25 | 123.7° | 120.0° |
| N24 | C23 | H15 | 108.6° | 109.5° |
| N24 | C23 | H16 | 108.6° | 109.5° |
| C23 | N24 | H20 | 118.2° | 120.1° |
| N24 | C25 | N26 | 119.3° | 120.0° |
| C25 | N24 | H20 | 118.1° | 120.0° |
| N24 | C25 | H17 | 120.4° | 120.0° |
| C1 | C5 | H8 | 107.9° | 110.3° |
| C5 | C1 | H10 | 110.4° | 111.2° |
| C5 | C1 | H9 | 110.4° | 111.1° |
| N26 | C25 | H17 | 120.3° | 120.0° |
| C25 | N26 | H18 | 112.0° | 120.0° |
| C62 | C61 | O62 | 109.2° | 109.5° |
| C61 | C62 | H1 | 109.5° | 109.5° |
| C62 | C61 | H4 | 108.6° | 109.5° |
| C61 | C62 | H2 | 109.5° | 109.5° |
| C61 | C62 | H3 | 109.5° | 109.4° |
| O62 | C61 | H4 | 110.5° | 109.5° |
| C61 | O62 | H5 | 109.5° | 114.0° |
| H1 | C62 | H2 | 109.5° | 109.5° |
| H1 | C62 | H3 | 109.4° | 109.5° |
| H10 | C1 | H9 | 109.5° | 111.0° |
| H14 | C22 | H13 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| C7 | O1 | H7 | 90.0° | 117.1° |
| H2 | C62 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C31 | O32 | C3 | 178.6° | 180.0° |
| O31 | C31 | C3 | N4 | 40.9° | 174.6° |
| O31 | C31 | C3 | C2 | 157.3° | 5.3° |
| O31 | C31 | O32 | H11 | 0.0° | 0.0° |
| O32 | C31 | C3 | N4 | 137.9° | 5.4° |
| O32 | C31 | C3 | C2 | 23.8° | 174.7° |
| C31 | C3 | C2 | S21 | 68.2° | 45.5° |
| C31 | C3 | N4 | C2 | 162.3° | 180.0° |
| C31 | C3 | N4 | C5 | 174.7° | 179.9° |
| C31 | C3 | C2 | C1 | 172.6° | 164.1° |
| C3 | C31 | O32 | H11 | 178.6° | 180.0° |
| C31 | C3 | C2 | H131 | 53.4° | 77.3° |
| O71 | C7 | C6 | O1 | 22.1° | 180.0° |
| O71 | C7 | C6 | C5 | 109.1° | 0.0° |
| O71 | C7 | C6 | C61 | 127.7° | 120.0° |
| O71 | C7 | C6 | H6 | 10.2° | 120.0° |
| O71 | C7 | O1 | H7 | 90.0° | 0.0° |
| C22 | S21 | C2 | C3 | 145.8° | 173.7° |
| S21 | C22 | C23 | H14 | 119.8° | 120.0° |
| S21 | C22 | C23 | H13 | 119.8° | 120.0° |
| C22 | S21 | C2 | C1 | 34.7° | 72.0° |
| S21 | C22 | C23 | N24 | 137.3° | 180.0° |
| C22 | S21 | C2 | H131 | 89.9° | 50.8° |
| S21 | C22 | H14 | H13 | 120.7° | 120.0° |
| S21 | C22 | C23 | H15 | 16.8° | 60.0° |
| S21 | C22 | C23 | H16 | 102.2° | 60.0° |
| S21 | C2 | C3 | N4 | 129.7° | 134.5° |
| S21 | C2 | C3 | C1 | 119.2° | 118.5° |
| S21 | C2 | C3 | H131 | 121.6° | 122.9° |
| C2 | S21 | C22 | C23 | 55.4° | 175.0° |
| S21 | C2 | C1 | H131 | 122.5° | 122.8° |
| S21 | C2 | C1 | C5 | 121.9° | 142.1° |
| S21 | C2 | C1 | H10 | 2.4° | 100.0° |
| S21 | C2 | C1 | H9 | 118.7° | 24.2° |
| C2 | S21 | C22 | H14 | 64.3° | 55.0° |
| C2 | S21 | C22 | H13 | 175.2° | 65.0° |
| N4 | C3 | C2 | C1 | 10.5° | 16.0° |
| C3 | N4 | C5 | C6 | 118.1° | 135.1° |
| C3 | N4 | C5 | C1 | 8.3° | 16.2° |
| C3 | N4 | C5 | H8 | 124.0° | 102.7° |
| N4 | C3 | C2 | H131 | 108.7° | 102.6° |
| C2 | C3 | N4 | C5 | 12.4° | 0.1° |
| C3 | C2 | C1 | H131 | 119.7° | 118.6° |
| C3 | C2 | C1 | C5 | 4.1° | 23.6° |
| C3 | C2 | C1 | H10 | 115.3° | 141.5° |
| C3 | C2 | C1 | H9 | 123.6° | 94.3° |
| C22 | C23 | N24 | H15 | 120.5° | 120.0° |
| C22 | C23 | N24 | H16 | 120.5° | 120.0° |
| C22 | C23 | N24 | C25 | 57.3° | 180.0° |
| C23 | C22 | H14 | H13 | 120.7° | 119.9° |
| C22 | C23 | H15 | H16 | 118.5° | 119.9° |
| C22 | C23 | N24 | H20 | 122.6° | 0.0° |
| N4 | C5 | C6 | C7 | 29.7° | 55.6° |
| N4 | C5 | C1 | C2 | 1.7° | 24.0° |
| N4 | C5 | C6 | C1 | 119.8° | 115.7° |
| N4 | C5 | C6 | H8 | 118.4° | 122.3° |
| N4 | C5 | C6 | C61 | 148.8° | 64.4° |
| N4 | C5 | C1 | H8 | 116.4° | 119.0° |
| N4 | C5 | C6 | H6 | 89.9° | 175.6° |
| N4 | C5 | C1 | H10 | 121.2° | 141.9° |
| N4 | C5 | C1 | H9 | 117.7° | 94.0° |
| C7 | C6 | C5 | C61 | 119.2° | 120.0° |
| C7 | C6 | C5 | H6 | 119.6° | 120.0° |
| C7 | C6 | C61 | H6 | 117.8° | 120.0° |
| C7 | C6 | C5 | C1 | 149.5° | 60.0° |
| C7 | C6 | C61 | C62 | 70.6° | 60.0° |
| C7 | C6 | C61 | O62 | 169.0° | 180.0° |
| C7 | C6 | C61 | H4 | 48.8° | 60.0° |
| C7 | C6 | C5 | H8 | 88.7° | 177.9° |
| C6 | C7 | O1 | H7 | 90.0° | 180.0° |
| C2 | C1 | C5 | C6 | 119.9° | 142.9° |
| C2 | C1 | C5 | H10 | 119.4° | 117.9° |
| C2 | C1 | C5 | H9 | 119.5° | 117.9° |
| C2 | C1 | C5 | H8 | 118.2° | 95.0° |
| C2 | C1 | H10 | H9 | 121.6° | 124.3° |
| C5 | C6 | C61 | H6 | 121.3° | 120.0° |
| C6 | C5 | C1 | H8 | 121.9° | 122.1° |
| C5 | C6 | C61 | C62 | 168.5° | 180.0° |
| C5 | C6 | C61 | O62 | 48.2° | 60.0° |
| C5 | C6 | C61 | H4 | 72.1° | 60.0° |
| C6 | C5 | C1 | H10 | 0.5° | 99.2° |
| C6 | C5 | C1 | H9 | 120.6° | 25.0° |
| C5 | C6 | C7 | O1 | 131.3° | 180.0° |
| C61 | C6 | C5 | C1 | 91.3° | 180.0° |
| C6 | C61 | C62 | O62 | 120.1° | 120.0° |
| C6 | C61 | C62 | H4 | 119.3° | 120.0° |
| C6 | C61 | O62 | H4 | 119.1° | 120.0° |
| C6 | C61 | C62 | H1 | 180.0° | 180.0° |
| C6 | C61 | O62 | H5 | 180.0° | 60.1° |
| C61 | C6 | C5 | H8 | 30.4° | 57.9° |
| C61 | C6 | C7 | O1 | 105.5° | 60.0° |
| C6 | C61 | C62 | H2 | 60.0° | 60.0° |
| C6 | C61 | C62 | H3 | 60.0° | 60.0° |
| C23 | N24 | C25 | H20 | 180.0° | 179.9° |
| C23 | N24 | C25 | N26 | 0.1° | 0.0° |
| N24 | C23 | C22 | H14 | 102.9° | 60.0° |
| N24 | C23 | C22 | H13 | 17.5° | 59.9° |
| N24 | C23 | H15 | H16 | 118.4° | 120.1° |
| C23 | N24 | C25 | H17 | 179.9° | 180.0° |
| N24 | C25 | N26 | H17 | 180.0° | 180.0° |
| C25 | N24 | C23 | H15 | 177.9° | 60.1° |
| C25 | N24 | C23 | H16 | 63.2° | 60.0° |
| N24 | C25 | N26 | H18 | 180.0° | 180.0° |
| C1 | C5 | C6 | H6 | 29.9° | 60.0° |
| C5 | C1 | H10 | H9 | 121.7° | 124.2° |
| C5 | C1 | C2 | H131 | 115.6° | 95.0° |
| N26 | C25 | N24 | H20 | 179.9° | 180.0° |
| C62 | C61 | O62 | H4 | 119.4° | 120.0° |
| C61 | C62 | H1 | H2 | 120.0° | 120.0° |
| C61 | C62 | H1 | H3 | 120.0° | 120.0° |
| C62 | C61 | O62 | H5 | 58.5° | 60.0° |
| C62 | C61 | C6 | H6 | 47.2° | 60.0° |
| C61 | C62 | H2 | H3 | 120.0° | 119.9° |
| O62 | C61 | C62 | H1 | 59.8° | 60.0° |
| O62 | C61 | C6 | H6 | 73.1° | 60.0° |
| O62 | C61 | C62 | H2 | 179.9° | 180.0° |
| O62 | C61 | C62 | H3 | 60.1° | 60.1° |
| H1 | C62 | C61 | H4 | 60.7° | 60.0° |
| H1 | C62 | H2 | H3 | 120.0° | 120.1° |
| H4 | C61 | O62 | H5 | 60.9° | 179.9° |
| H4 | C61 | C6 | H6 | 166.6° | 180.0° |
| H4 | C61 | C62 | H2 | 59.3° | 60.0° |
| H4 | C61 | C62 | H3 | 179.3° | 180.0° |
| H6 | C6 | C5 | H8 | 151.7° | 62.1° |
| H6 | C6 | C7 | O1 | 11.9° | 60.0° |
| H8 | C5 | C1 | H10 | 122.4° | 22.9° |
| H8 | C5 | C1 | H9 | 1.3° | 147.0° |
| H10 | C1 | C2 | H131 | 124.9° | 22.8° |
| H9 | C1 | C2 | H131 | 3.8° | 147.1° |
| H14 | C22 | C23 | H15 | 136.6° | 180.0° |
| H14 | C22 | C23 | H16 | 17.6° | 60.0° |
| H13 | C22 | C23 | H15 | 103.0° | 60.1° |
| H13 | C22 | C23 | H16 | 138.0° | 180.0° |
| H15 | C23 | N24 | H20 | 2.1° | 120.0° |
| H16 | C23 | N24 | H20 | 116.8° | 119.9° |
| H20 | N24 | C25 | H17 | 0.1° | 0.1° |
| H17 | C25 | N26 | H18 | 0.0° | 0.0° |
