T6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.42Å | |
| O | C3 | doub | 1.21Å | 1.22Å | |
| O1 | S | doub | 1.42Å | 1.42Å | |
| S | O3 | sing | 1.52Å | 1.64Å | |
| S | N | sing | 1.66Å | 1.66Å | |
| C3 | N | sing | 1.35Å | 1.39Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| N | C1 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| O4 | C4 | doub | 1.22Å | 1.23Å | |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.48Å | 1.52Å | |
| O5 | N2 | sing | 1.42Å | 1.46Å | |
| O5 | C6 | sing | 1.43Å | 1.47Å | |
| N2 | C5 | doub | 1.30Å | 1.28Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | C9 | sing | 1.51Å | 1.53Å | |
| C5 | C10 | sing | 1.48Å | 1.49Å | |
| N3 | C10 | sing | 1.33Å | 1.40Å | Aromatic |
| N3 | C12 | doub | 1.30Å | 1.33Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.37Å | Aromatic |
| O7 | C9 | doub | 1.21Å | 1.30Å | |
| C9 | O6 | sing | 1.34Å | 1.25Å | |
| C12 | N4 | sing | 1.38Å | 1.35Å | |
| C12 | S1 | sing | 1.76Å | 1.76Å | Aromatic |
| C11 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| O6 | H4 | sing | 0.97Å | 0.95Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O1 | 122.4° | 123.1° |
| O2 | S | O3 | 109.6° | 106.4° |
| O2 | S | N | 104.9° | 106.4° |
| O | C3 | N | 131.3° | 131.8° |
| O | C3 | C2 | 137.4° | 131.8° |
| O1 | S | O3 | 110.2° | 106.4° |
| O1 | S | N | 106.5° | 106.4° |
| O3 | S | N | 100.9° | 107.3° |
| S | O3 | H17 | 109.5° | 114.0° |
| S | N | C3 | 133.2° | 134.7° |
| S | N | C1 | 131.6° | 134.7° |
| N | C3 | C2 | 91.0° | 96.4° |
| C3 | N | C1 | 95.2° | 90.6° |
| C3 | C2 | C1 | 85.6° | 82.4° |
| C3 | C2 | N1 | 119.9° | 114.4° |
| C3 | C2 | H15 | 113.2° | 114.4° |
| N | C1 | C2 | 87.7° | 90.6° |
| N | C1 | C | 113.3° | 113.1° |
| N | C1 | H16 | 113.5° | 113.0° |
| C1 | C2 | N1 | 106.6° | 114.4° |
| C2 | C1 | C | 115.5° | 113.1° |
| C1 | C2 | H15 | 112.9° | 114.4° |
| C2 | C1 | H16 | 111.9° | 113.0° |
| C2 | N1 | C4 | 122.2° | 120.0° |
| C2 | N1 | H14 | 118.9° | 120.0° |
| N1 | C2 | H15 | 114.6° | 113.4° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C | C1 | H16 | 112.7° | 112.3° |
| O4 | C4 | N1 | 121.7° | 120.0° |
| O4 | C4 | C5 | 122.6° | 120.0° |
| N1 | C4 | C5 | 115.7° | 120.0° |
| C4 | N1 | H14 | 118.9° | 120.0° |
| C7 | C6 | O5 | 111.4° | 109.5° |
| C7 | C6 | C8 | 110.8° | 109.5° |
| C7 | C6 | C9 | 111.8° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C4 | C5 | N2 | 101.3° | 120.0° |
| C4 | C5 | C10 | 114.9° | 120.0° |
| N2 | O5 | C6 | 142.2° | 114.0° |
| O5 | N2 | C5 | 119.1° | 120.0° |
| O5 | C6 | C8 | 94.2° | 109.5° |
| O5 | C6 | C9 | 117.7° | 109.5° |
| N2 | C5 | C10 | 105.2° | 120.0° |
| C8 | C6 | C9 | 109.6° | 109.5° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C6 | C8 | H9 | 109.5° | 109.5° |
| C6 | C8 | H10 | 109.5° | 109.5° |
| C6 | C9 | O7 | 112.1° | 120.0° |
| C6 | C9 | O6 | 122.7° | 120.0° |
| C5 | C10 | N3 | 117.4° | 122.5° |
| C5 | C10 | C11 | 126.9° | 122.4° |
| C10 | N3 | C12 | 110.3° | 116.9° |
| N3 | C10 | C11 | 115.6° | 115.2° |
| N3 | C12 | N4 | 124.0° | 125.2° |
| N3 | C12 | S1 | 114.8° | 109.5° |
| C10 | C11 | S1 | 110.5° | 108.3° |
| C10 | C11 | H13 | 124.8° | 125.9° |
| O7 | C9 | O6 | 125.2° | 120.0° |
| C9 | O6 | H4 | 109.5° | 116.9° |
| N4 | C12 | S1 | 121.3° | 125.2° |
| C12 | N4 | H11 | 109.5° | 120.0° |
| C12 | N4 | H12 | 109.5° | 120.0° |
| C12 | S1 | C11 | 88.8° | 90.1° |
| S1 | C11 | H13 | 124.7° | 125.8° |
| H1 | C | H2 | 109.4° | 109.5° |
| H1 | C | H3 | 109.4° | 109.5° |
| H2 | C | H3 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.4° | 109.5° |
| H5 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H11 | N4 | H12 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O1 | O3 | 131.0° | 122.9° |
| O2 | S | O1 | N | 120.4° | 122.9° |
| O2 | S | O3 | N | 110.3° | 113.6° |
| O2 | S | N | C3 | 58.2° | 156.1° |
| O2 | S | N | C1 | 120.0° | 23.6° |
| O2 | S | O3 | H17 | 0.0° | 66.4° |
| O | C3 | N | S | 1.0° | 0.2° |
| O | C3 | N | C2 | 174.1° | 180.0° |
| O | C3 | N | C1 | 179.7° | 180.0° |
| O | C3 | C2 | C1 | 178.7° | 180.0° |
| O | C3 | C2 | N1 | 74.7° | 66.6° |
| O | C3 | C2 | H15 | 65.6° | 66.6° |
| O1 | S | O3 | N | 112.3° | 113.5° |
| O1 | S | N | C3 | 72.9° | 23.2° |
| O1 | S | N | C1 | 108.9° | 156.5° |
| O1 | S | O3 | H17 | 137.4° | 66.5° |
| O3 | S | N | C3 | 172.1° | 90.3° |
| O3 | S | N | C1 | 6.1° | 90.0° |
| S | N | C3 | C1 | 178.6° | 179.8° |
| S | N | C3 | C2 | 173.1° | 179.8° |
| S | N | C1 | C2 | 173.2° | 179.8° |
| S | N | C1 | C | 56.3° | 64.7° |
| S | N | C1 | H16 | 73.9° | 64.3° |
| N | S | O3 | H17 | 110.3° | 180.0° |
| N | C3 | C2 | C1 | 5.2° | 0.1° |
| N | C3 | C2 | N1 | 111.8° | 113.3° |
| C3 | N | C1 | C | 122.3° | 115.5° |
| N | C3 | C2 | H15 | 107.9° | 113.4° |
| C3 | N | C1 | H16 | 107.4° | 115.5° |
| C3 | C2 | C1 | N1 | 120.0° | 113.4° |
| C3 | C2 | C1 | H15 | 113.4° | 113.4° |
| C3 | C2 | N1 | H15 | 139.8° | 133.7° |
| C3 | C2 | C1 | C | 119.8° | 115.5° |
| C3 | C2 | N1 | C4 | 112.6° | 112.4° |
| C3 | C2 | N1 | H14 | 67.4° | 67.7° |
| C3 | C2 | C1 | H16 | 109.5° | 115.5° |
| N | C1 | C2 | C | 114.8° | 115.5° |
| N | C1 | C2 | H16 | 114.5° | 115.4° |
| N | C1 | C2 | N1 | 124.9° | 113.3° |
| N | C1 | C | H16 | 130.6° | 129.4° |
| N | C1 | C | H1 | 180.0° | 79.5° |
| N | C1 | C | H2 | 60.0° | 160.5° |
| N | C1 | C | H3 | 60.0° | 40.6° |
| N | C1 | C2 | H15 | 108.4° | 113.5° |
| C1 | C2 | N1 | H15 | 125.6° | 133.6° |
| C2 | C1 | C | H16 | 130.3° | 129.4° |
| C1 | C2 | N1 | C4 | 152.9° | 155.0° |
| C2 | C1 | C | H1 | 80.9° | 179.4° |
| C2 | C1 | C | H2 | 39.0° | 59.3° |
| C2 | C1 | C | H3 | 159.1° | 60.6° |
| C1 | C2 | N1 | H14 | 27.2° | 24.9° |
| N1 | C2 | C1 | C | 120.3° | 131.1° |
| C2 | N1 | C4 | O4 | 12.6° | 5.0° |
| C2 | N1 | C4 | H14 | 180.0° | 179.9° |
| C2 | N1 | C4 | C5 | 170.7° | 175.1° |
| N1 | C2 | C1 | H16 | 10.5° | 2.1° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C | C1 | C2 | H15 | 6.4° | 2.0° |
| O4 | C4 | N1 | C5 | 176.7° | 180.0° |
| O4 | C4 | C5 | N2 | 79.4° | 6.0° |
| O4 | C4 | C5 | C10 | 33.4° | 174.1° |
| O4 | C4 | N1 | H14 | 167.4° | 175.1° |
| N1 | C4 | C5 | N2 | 97.2° | 174.1° |
| N1 | C4 | C5 | C10 | 149.9° | 5.9° |
| C4 | N1 | C2 | H15 | 27.2° | 21.4° |
| C7 | C6 | O5 | N2 | 86.6° | 60.0° |
| C7 | C6 | O5 | C8 | 114.3° | 120.0° |
| C7 | C6 | O5 | C9 | 131.0° | 120.0° |
| C7 | C6 | C8 | C9 | 123.8° | 120.0° |
| C7 | C6 | C9 | O7 | 65.6° | 120.0° |
| C7 | C6 | C9 | O6 | 113.6° | 60.0° |
| C6 | C7 | H5 | H6 | 120.0° | 120.0° |
| C6 | C7 | H5 | H7 | 120.0° | 120.0° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | C6 | C8 | H8 | 180.0° | 180.0° |
| C7 | C6 | C8 | H9 | 60.0° | 60.0° |
| C7 | C6 | C8 | H10 | 60.0° | 60.0° |
| C4 | C5 | N2 | O5 | 102.0° | 5.1° |
| C4 | C5 | N2 | C10 | 120.0° | 179.9° |
| C4 | C5 | C10 | N3 | 30.1° | 6.1° |
| C4 | C5 | C10 | C11 | 145.1° | 174.3° |
| C5 | C4 | N1 | H14 | 9.3° | 4.8° |
| N2 | O5 | C6 | C8 | 159.1° | 60.0° |
| N2 | O5 | C6 | C9 | 44.4° | 180.0° |
| O5 | N2 | C5 | C10 | 138.0° | 174.9° |
| C6 | O5 | N2 | C5 | 3.2° | 180.0° |
| O5 | C6 | C8 | C9 | 121.4° | 120.0° |
| O5 | C6 | C9 | O7 | 65.2° | 0.0° |
| O5 | C6 | C9 | O6 | 115.6° | 180.0° |
| O5 | C6 | C7 | H5 | 180.0° | 60.0° |
| O5 | C6 | C7 | H6 | 60.0° | 60.0° |
| O5 | C6 | C7 | H7 | 60.0° | 180.0° |
| O5 | C6 | C8 | H8 | 65.2° | 60.0° |
| O5 | C6 | C8 | H9 | 174.8° | 60.0° |
| O5 | C6 | C8 | H10 | 54.8° | 180.0° |
| N2 | C5 | C10 | N3 | 140.6° | 173.9° |
| N2 | C5 | C10 | C11 | 34.6° | 5.7° |
| C8 | C6 | C9 | O7 | 171.2° | 120.0° |
| C8 | C6 | C9 | O6 | 9.6° | 60.0° |
| C8 | C6 | C7 | H5 | 76.5° | 60.0° |
| C8 | C6 | C7 | H6 | 163.5° | 180.0° |
| C8 | C6 | C7 | H7 | 43.5° | 59.9° |
| C6 | C8 | H8 | H9 | 120.0° | 120.0° |
| C6 | C8 | H8 | H10 | 120.0° | 120.0° |
| C6 | C8 | H9 | H10 | 120.0° | 120.0° |
| C6 | C9 | O7 | O6 | 179.2° | 180.0° |
| C6 | C9 | O6 | H4 | 179.1° | 179.9° |
| C9 | C6 | C7 | H5 | 46.1° | 180.0° |
| C9 | C6 | C7 | H6 | 73.9° | 60.0° |
| C9 | C6 | C7 | H7 | 166.1° | 60.0° |
| C9 | C6 | C8 | H8 | 56.2° | 60.0° |
| C9 | C6 | C8 | H9 | 63.8° | 180.0° |
| C9 | C6 | C8 | H10 | 176.2° | 60.0° |
| C5 | C10 | N3 | C11 | 175.7° | 179.6° |
| C5 | C10 | N3 | C12 | 175.2° | 180.0° |
| C5 | C10 | C11 | S1 | 174.6° | 179.9° |
| C5 | C10 | C11 | H13 | 5.4° | 0.1° |
| C10 | N3 | C12 | N4 | 179.0° | 180.0° |
| C10 | N3 | C12 | S1 | 0.1° | 0.1° |
| N3 | C10 | C11 | S1 | 0.7° | 0.4° |
| N3 | C10 | C11 | H13 | 179.3° | 179.7° |
| C12 | N3 | C10 | C11 | 0.5° | 0.4° |
| N3 | C12 | N4 | S1 | 179.1° | 179.9° |
| N3 | C12 | S1 | C11 | 0.2° | 0.1° |
| N3 | C12 | N4 | H11 | 0.0° | 0.1° |
| N3 | C12 | N4 | H12 | 120.0° | 180.0° |
| C10 | C11 | S1 | C12 | 0.5° | 0.3° |
| C10 | C11 | S1 | H13 | 180.0° | 179.8° |
| O7 | C9 | O6 | H4 | 0.0° | 0.1° |
| N4 | C12 | S1 | C11 | 179.4° | 179.7° |
| C12 | N4 | H11 | H12 | 120.0° | 179.9° |
| S1 | C12 | N4 | H11 | 179.1° | 180.0° |
| S1 | C12 | N4 | H12 | 60.9° | 0.1° |
| C12 | S1 | C11 | H13 | 179.5° | 179.8° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H1 | C | C1 | H16 | 49.4° | 50.0° |
| H2 | C | C1 | H16 | 169.4° | 70.1° |
| H3 | C | C1 | H16 | 70.6° | 170.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | H9 | H10 | 120.0° | 119.9° |
| H14 | N1 | C2 | H15 | 152.8° | 158.5° |
| H15 | C2 | C1 | H16 | 137.1° | 131.1° |
