6TP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.53Å | 1.48Å | |
| C1 | C4 | sing | 1.53Å | 1.46Å | |
| C1 | N4 | sing | 1.46Å | 1.47Å | |
| C1 | C6 | sing | 1.53Å | 1.49Å | |
| N1 | C10 | doub | 1.32Å | 1.39Å | Aromatic |
| N1 | C13 | sing | 1.32Å | 1.36Å | Aromatic |
| O1 | S2 | doub | 1.42Å | 1.45Å | |
| S1 | C9 | sing | 1.76Å | 1.68Å | Aromatic |
| S1 | C14 | sing | 1.75Å | 1.70Å | Aromatic |
| C2 | C16 | doub | 1.40Å | 1.49Å | Aromatic |
| C2 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| N2 | C10 | sing | 1.38Å | 1.36Å | |
| O2 | C12 | doub | 1.22Å | 1.23Å | |
| S2 | O3 | doub | 1.42Å | 1.40Å | |
| S2 | N4 | sing | 1.66Å | 1.77Å | |
| S2 | C18 | sing | 1.76Å | 1.73Å | |
| N3 | C12 | sing | 1.35Å | 1.37Å | |
| N3 | C15 | sing | 1.47Å | 1.45Å | |
| C5 | C18 | sing | 1.38Å | 1.44Å | Aromatic |
| C5 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.45Å | 1.40Å | Aromatic |
| C7 | C14 | doub | 1.33Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C10 | sing | 1.42Å | 1.47Å | Aromatic |
| C9 | C11 | sing | 1.42Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.49Å | |
| C11 | C13 | doub | 1.39Å | 1.44Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.52Å | |
| C16 | C19 | sing | 1.39Å | 1.46Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C4 | 110.2° | 109.5° |
| C3 | C1 | N4 | 108.1° | 109.5° |
| C3 | C1 | C6 | 109.9° | 109.4° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H3A | 109.5° | 109.5° |
| C1 | C3 | H3B | 109.5° | 109.4° |
| C4 | C1 | N4 | 113.2° | 109.5° |
| C4 | C1 | C6 | 106.2° | 109.5° |
| C1 | C4 | H4 | 109.5° | 109.5° |
| C1 | C4 | H4A | 109.5° | 109.5° |
| C1 | C4 | H4B | 109.4° | 109.5° |
| N4 | C1 | C6 | 109.3° | 109.5° |
| C1 | N4 | S2 | 126.5° | 120.0° |
| C1 | N4 | HN4 | 104.2° | 120.0° |
| C1 | C6 | H6 | 109.5° | 109.5° |
| C1 | C6 | H6A | 109.5° | 109.5° |
| C1 | C6 | H6B | 109.5° | 109.5° |
| C10 | N1 | C13 | 121.9° | 122.5° |
| N1 | C10 | N2 | 118.5° | 119.5° |
| N1 | C10 | C8 | 123.3° | 121.0° |
| N1 | C13 | C11 | 118.2° | 120.8° |
| N1 | C13 | H13 | 120.9° | 119.6° |
| O1 | S2 | O3 | 123.5° | 123.1° |
| O1 | S2 | N4 | 98.4° | 106.4° |
| O1 | S2 | C18 | 108.9° | 106.4° |
| C9 | S1 | C14 | 95.1° | 92.2° |
| S1 | C9 | C8 | 106.3° | 110.0° |
| S1 | C9 | C11 | 129.1° | 131.4° |
| S1 | C14 | C7 | 112.7° | 111.2° |
| S1 | C14 | C16 | 123.4° | 124.4° |
| C16 | C2 | C17 | 122.0° | 119.8° |
| C2 | C16 | C14 | 121.2° | 120.1° |
| C2 | C16 | C19 | 119.4° | 119.7° |
| C16 | C2 | H2 | 119.0° | 120.1° |
| C2 | C17 | C18 | 113.8° | 120.1° |
| C17 | C2 | H2 | 119.0° | 120.1° |
| C2 | C17 | H17 | 123.1° | 119.9° |
| N2 | C10 | C8 | 118.2° | 119.6° |
| C10 | N2 | HN2 | 109.5° | 120.1° |
| C10 | N2 | HN2A | 109.5° | 119.9° |
| O2 | C12 | N3 | 123.3° | 120.0° |
| O2 | C12 | C11 | 123.7° | 120.0° |
| O3 | S2 | N4 | 108.5° | 106.4° |
| O3 | S2 | C18 | 110.0° | 106.4° |
| N4 | S2 | C18 | 105.7° | 107.2° |
| S2 | N4 | HN4 | 104.1° | 120.0° |
| S2 | C18 | C5 | 112.8° | 119.9° |
| S2 | C18 | C17 | 119.6° | 119.8° |
| C12 | N3 | C15 | 123.8° | 120.0° |
| N3 | C12 | C11 | 113.0° | 120.0° |
| C12 | N3 | HN3 | 118.1° | 120.0° |
| C15 | N3 | HN3 | 118.1° | 120.0° |
| N3 | C15 | H15 | 109.5° | 109.5° |
| N3 | C15 | H15A | 109.5° | 109.5° |
| N3 | C15 | H15B | 109.4° | 109.5° |
| C18 | C5 | C19 | 116.6° | 120.2° |
| C5 | C18 | C17 | 127.5° | 120.3° |
| C18 | C5 | H5 | 121.7° | 119.9° |
| C5 | C19 | C16 | 120.7° | 119.8° |
| C19 | C5 | H5 | 121.7° | 119.9° |
| C5 | C19 | H19 | 119.7° | 120.1° |
| C8 | C7 | C14 | 106.4° | 114.6° |
| C7 | C8 | C9 | 119.5° | 112.0° |
| C7 | C8 | C10 | 128.0° | 130.0° |
| C8 | C7 | H7 | 126.8° | 122.7° |
| C7 | C14 | C16 | 123.9° | 124.3° |
| C14 | C7 | H7 | 126.8° | 122.7° |
| C9 | C8 | C10 | 112.5° | 118.0° |
| C8 | C9 | C11 | 124.6° | 118.7° |
| C9 | C11 | C12 | 120.3° | 120.5° |
| C9 | C11 | C13 | 119.4° | 119.0° |
| C12 | C11 | C13 | 120.3° | 120.5° |
| C11 | C13 | H13 | 120.9° | 119.6° |
| C14 | C16 | C19 | 119.4° | 120.2° |
| C16 | C19 | H19 | 119.7° | 120.1° |
| C18 | C17 | H17 | 123.1° | 120.0° |
| HN2 | N2 | HN2A | 109.5° | 120.0° |
| H3 | C3 | H3A | 109.4° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.4° |
| H3A | C3 | H3B | 109.4° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.4° |
| H6 | C6 | H6B | 109.4° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C4 | N4 | 121.1° | 120.1° |
| C3 | C1 | C4 | C6 | 119.0° | 119.9° |
| C3 | C1 | N4 | C6 | 119.6° | 120.0° |
| C3 | C1 | N4 | S2 | 82.8° | 61.2° |
| C1 | C3 | H3 | H3A | 120.0° | 120.0° |
| C1 | C3 | H3 | H3B | 120.0° | 119.9° |
| C1 | C3 | H3A | H3B | 120.0° | 120.0° |
| C3 | C1 | C4 | H4 | 180.0° | 60.1° |
| C3 | C1 | C4 | H4A | 60.0° | 180.0° |
| C3 | C1 | C4 | H4B | 60.0° | 60.0° |
| C3 | C1 | N4 | HN4 | 157.2° | 118.7° |
| C3 | C1 | C6 | H6 | 180.0° | 77.2° |
| C3 | C1 | C6 | H6A | 60.0° | 162.8° |
| C3 | C1 | C6 | H6B | 60.0° | 42.8° |
| C4 | C1 | N4 | C6 | 118.1° | 120.0° |
| C4 | C1 | N4 | S2 | 39.5° | 178.8° |
| C4 | C1 | C3 | H3 | 180.0° | 51.4° |
| C4 | C1 | C3 | H3A | 60.0° | 171.4° |
| C4 | C1 | C3 | H3B | 60.0° | 68.6° |
| C1 | C4 | H4 | H4A | 120.0° | 120.0° |
| C1 | C4 | H4 | H4B | 120.0° | 120.1° |
| C1 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C1 | N4 | HN4 | 80.6° | 1.3° |
| C4 | C1 | C6 | H6 | 60.9° | 42.8° |
| C4 | C1 | C6 | H6A | 59.1° | 77.2° |
| C4 | C1 | C6 | H6B | 179.2° | 162.7° |
| C1 | N4 | S2 | O1 | 32.3° | 177.8° |
| C1 | N4 | S2 | O3 | 161.9° | 44.9° |
| C1 | N4 | S2 | HN4 | 120.0° | 180.0° |
| C1 | N4 | S2 | C18 | 80.1° | 68.7° |
| N4 | C1 | C3 | H3 | 55.9° | 171.4° |
| N4 | C1 | C3 | H3A | 175.9° | 68.6° |
| N4 | C1 | C3 | H3B | 64.1° | 51.5° |
| N4 | C1 | C4 | H4 | 58.9° | 60.0° |
| N4 | C1 | C4 | H4A | 61.1° | 60.0° |
| N4 | C1 | C4 | H4B | 178.9° | 180.0° |
| N4 | C1 | C6 | H6 | 61.5° | 162.8° |
| N4 | C1 | C6 | H6A | 178.5° | 42.8° |
| N4 | C1 | C6 | H6B | 58.4° | 77.3° |
| C6 | C1 | N4 | S2 | 157.5° | 58.8° |
| C6 | C1 | C3 | H3 | 63.3° | 68.6° |
| C6 | C1 | C3 | H3A | 56.7° | 51.4° |
| C6 | C1 | C3 | H3B | 176.7° | 171.5° |
| C6 | C1 | C4 | H4 | 61.0° | 180.0° |
| C6 | C1 | C4 | H4A | 179.0° | 60.0° |
| C6 | C1 | C4 | H4B | 59.0° | 60.0° |
| C6 | C1 | N4 | HN4 | 37.5° | 121.3° |
| C1 | C6 | H6 | H6A | 120.0° | 120.0° |
| C1 | C6 | H6 | H6B | 120.0° | 120.0° |
| C1 | C6 | H6A | H6B | 120.0° | 120.1° |
| N1 | C10 | N2 | C8 | 179.3° | 180.0° |
| N1 | C10 | C8 | C7 | 179.4° | 180.0° |
| N1 | C10 | C8 | C9 | 0.4° | 0.0° |
| C10 | N1 | C13 | C11 | 0.3° | 0.0° |
| N1 | C10 | N2 | HN2 | 0.0° | 0.0° |
| N1 | C10 | N2 | HN2A | 120.0° | 180.0° |
| C10 | N1 | C13 | H13 | 179.7° | 180.0° |
| C13 | N1 | C10 | N2 | 179.1° | 180.0° |
| C13 | N1 | C10 | C8 | 0.2° | 0.0° |
| N1 | C13 | C11 | C9 | 0.6° | 0.0° |
| N1 | C13 | C11 | C12 | 176.9° | 180.0° |
| N1 | C13 | C11 | H13 | 180.0° | 180.0° |
| O1 | S2 | O3 | N4 | 114.0° | 122.9° |
| O1 | S2 | O3 | C18 | 130.8° | 122.9° |
| O1 | S2 | N4 | C18 | 112.4° | 113.5° |
| O1 | S2 | C18 | C5 | 157.7° | 39.3° |
| O1 | S2 | C18 | C17 | 18.8° | 140.8° |
| O1 | S2 | N4 | HN4 | 152.3° | 2.2° |
| S1 | C9 | C8 | C7 | 0.2° | 0.1° |
| C9 | S1 | C14 | C7 | 0.1° | 0.0° |
| S1 | C9 | C8 | C11 | 179.9° | 180.0° |
| S1 | C9 | C8 | C10 | 180.0° | 180.0° |
| S1 | C9 | C11 | C12 | 2.9° | 0.0° |
| S1 | C9 | C11 | C13 | 179.5° | 180.0° |
| C9 | S1 | C14 | C16 | 178.5° | 180.0° |
| S1 | C14 | C16 | C2 | 3.7° | 0.1° |
| S1 | C14 | C7 | C8 | 0.2° | 0.0° |
| S1 | C14 | C7 | C16 | 178.6° | 180.0° |
| C14 | S1 | C9 | C8 | 0.0° | 0.0° |
| C14 | S1 | C9 | C11 | 179.9° | 180.0° |
| S1 | C14 | C16 | C19 | 173.6° | 180.0° |
| S1 | C14 | C7 | H7 | 179.7° | 180.0° |
| C16 | C2 | C17 | H2 | 180.0° | 179.6° |
| C2 | C16 | C19 | C5 | 1.0° | 0.1° |
| C2 | C16 | C14 | C7 | 174.8° | 179.9° |
| C2 | C16 | C14 | C19 | 177.3° | 179.9° |
| C16 | C2 | C17 | C18 | 0.0° | 0.1° |
| C16 | C2 | C17 | H17 | 180.0° | 179.9° |
| C2 | C16 | C19 | H19 | 179.1° | 179.9° |
| C2 | C17 | C18 | S2 | 174.8° | 180.0° |
| C2 | C17 | C18 | C5 | 1.2° | 0.1° |
| C17 | C2 | C16 | C14 | 176.3° | 180.0° |
| C17 | C2 | C16 | C19 | 1.0° | 0.1° |
| C2 | C17 | C18 | H17 | 180.0° | 180.0° |
| N2 | C10 | C8 | C7 | 1.3° | 0.0° |
| N2 | C10 | C8 | C9 | 178.9° | 180.0° |
| C10 | N2 | HN2 | HN2A | 120.0° | 180.0° |
| O2 | C12 | N3 | C11 | 179.7° | 180.0° |
| O2 | C12 | N3 | C15 | 7.0° | 0.0° |
| O2 | C12 | C11 | C9 | 19.1° | 0.0° |
| O2 | C12 | C11 | C13 | 163.3° | 179.9° |
| O2 | C12 | N3 | HN3 | 173.1° | 180.0° |
| O3 | S2 | N4 | C18 | 118.0° | 113.6° |
| O3 | S2 | C18 | C5 | 64.1° | 172.2° |
| O3 | S2 | C18 | C17 | 119.4° | 7.9° |
| O3 | S2 | N4 | HN4 | 78.1° | 135.1° |
| N4 | S2 | C18 | C5 | 52.8° | 74.2° |
| N4 | S2 | C18 | C17 | 123.7° | 105.7° |
| S2 | C18 | C5 | C17 | 176.2° | 179.9° |
| S2 | C18 | C5 | C19 | 175.0° | 180.0° |
| C18 | S2 | N4 | HN4 | 39.9° | 111.3° |
| S2 | C18 | C5 | H5 | 5.0° | 0.0° |
| S2 | C18 | C17 | H17 | 5.2° | 0.0° |
| C12 | N3 | C15 | HN3 | 180.0° | 180.0° |
| N3 | C12 | C11 | C9 | 160.6° | 180.0° |
| N3 | C12 | C11 | C13 | 17.0° | 0.1° |
| C12 | N3 | C15 | H15 | 180.0° | 180.0° |
| C12 | N3 | C15 | H15A | 60.0° | 60.0° |
| C12 | N3 | C15 | H15B | 60.0° | 60.0° |
| C15 | N3 | C12 | C11 | 173.4° | 180.0° |
| N3 | C15 | H15 | H15A | 120.0° | 120.0° |
| N3 | C15 | H15 | H15B | 120.0° | 120.0° |
| N3 | C15 | H15A | H15B | 120.0° | 120.0° |
| C18 | C5 | C19 | H5 | 180.0° | 180.0° |
| C18 | C5 | C19 | C16 | 0.0° | 0.1° |
| C5 | C18 | C17 | H17 | 178.8° | 179.9° |
| C18 | C5 | C19 | H19 | 179.9° | 180.0° |
| C5 | C19 | C16 | C14 | 176.4° | 180.0° |
| C5 | C19 | C16 | H19 | 180.0° | 180.0° |
| C19 | C5 | C18 | C17 | 1.2° | 0.1° |
| C8 | C7 | C14 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C7 | C8 | C9 | C11 | 179.7° | 180.0° |
| C8 | C7 | C14 | C16 | 178.4° | 180.0° |
| C14 | C7 | C8 | C9 | 0.3° | 0.1° |
| C14 | C7 | C8 | C10 | 179.9° | 180.0° |
| C7 | C14 | C16 | C19 | 8.0° | 0.0° |
| C8 | C9 | C11 | C12 | 177.2° | 179.9° |
| C8 | C9 | C11 | C13 | 0.4° | 0.0° |
| C9 | C8 | C7 | H7 | 179.7° | 180.0° |
| C10 | C8 | C9 | C11 | 0.1° | 0.0° |
| C8 | C10 | N2 | HN2 | 179.3° | 180.0° |
| C8 | C10 | N2 | HN2A | 60.7° | 0.0° |
| C10 | C8 | C7 | H7 | 0.2° | 0.0° |
| C9 | C11 | C12 | C13 | 177.5° | 180.0° |
| C9 | C11 | C13 | H13 | 179.4° | 180.0° |
| C11 | C12 | N3 | HN3 | 6.6° | 0.0° |
| C12 | C11 | C13 | H13 | 3.0° | 0.1° |
| C14 | C16 | C2 | H2 | 3.7° | 0.4° |
| C16 | C14 | C7 | H7 | 1.7° | 0.0° |
| C14 | C16 | C19 | H19 | 3.6° | 0.0° |
| C19 | C16 | C2 | H2 | 179.0° | 179.7° |
| C16 | C19 | C5 | H5 | 180.0° | 180.0° |
| C18 | C17 | C2 | H2 | 180.0° | 179.7° |
| C17 | C18 | C5 | H5 | 178.8° | 180.0° |
| H2 | C2 | C17 | H17 | 0.0° | 0.3° |
| H3 | C3 | H3A | H3B | 119.9° | 120.0° |
| HN3 | N3 | C15 | H15 | 0.0° | 0.0° |
| HN3 | N3 | C15 | H15A | 120.0° | 120.0° |
| HN3 | N3 | C15 | H15B | 120.0° | 120.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| H5 | C5 | C19 | H19 | 0.0° | 0.0° |
| H6 | C6 | H6A | H6B | 120.0° | 119.9° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
