7TN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C25 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | O03 | sing | 1.36Å | 1.37Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| O04 | C16 | doub | 1.22Å | 1.24Å | |
| C23 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| O03 | C13 | sing | 1.36Å | 1.35Å | |
| C15 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.47Å | 1.43Å | |
| C16 | C17 | sing | 1.43Å | 1.35Å | |
| N09 | C26 | sing | 1.35Å | 1.34Å | |
| N09 | C17 | sing | 1.40Å | 1.38Å | |
| C11 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | O07 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | doub | 1.35Å | 1.41Å | |
| C10 | N08 | sing | 1.39Å | 1.34Å | |
| C10 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N08 | S01 | sing | 1.66Å | 1.57Å | |
| C12 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | O02 | sing | 1.35Å | 1.36Å | |
| C18 | O02 | sing | 1.34Å | 1.40Å | |
| O06 | S01 | doub | 1.42Å | 1.54Å | |
| S01 | C19 | sing | 1.81Å | 1.57Å | |
| S01 | O05 | doub | 1.42Å | 1.67Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å | |
| N09 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C24 | C25 | 119.7° | 120.1° |
| C24 | C22 | C20 | 119.9° | 119.9° |
| C24 | C22 | H3 | 120.1° | 120.0° |
| C22 | C24 | H4 | 120.2° | 120.0° |
| C24 | C25 | C23 | 119.5° | 120.1° |
| C25 | C24 | H4 | 120.1° | 119.9° |
| C24 | C25 | H12 | 120.2° | 120.0° |
| C22 | C20 | O03 | 118.0° | 120.1° |
| C22 | C20 | C21 | 120.9° | 119.9° |
| C20 | C22 | H3 | 120.0° | 120.0° |
| C25 | C23 | C21 | 120.8° | 120.1° |
| C25 | C23 | H11 | 119.6° | 120.0° |
| C23 | C25 | H12 | 120.3° | 119.9° |
| O03 | C20 | C21 | 120.9° | 120.0° |
| C20 | O03 | C13 | 124.3° | 118.0° |
| C20 | C21 | C23 | 118.9° | 119.9° |
| C20 | C21 | H2 | 120.5° | 120.1° |
| O04 | C16 | C11 | 122.0° | 121.4° |
| O04 | C16 | C17 | 121.0° | 121.4° |
| C23 | C21 | H2 | 120.6° | 120.0° |
| C21 | C23 | H11 | 119.6° | 119.9° |
| O03 | C13 | C15 | 122.6° | 120.0° |
| O03 | C13 | C10 | 115.3° | 120.0° |
| C13 | C15 | C11 | 120.5° | 119.6° |
| C15 | C13 | C10 | 121.9° | 120.0° |
| C13 | C15 | H1 | 119.7° | 120.2° |
| C15 | C11 | C16 | 120.3° | 121.3° |
| C15 | C11 | C12 | 117.2° | 120.4° |
| C11 | C15 | H1 | 119.8° | 120.2° |
| C13 | C10 | N08 | 114.7° | 119.7° |
| C13 | C10 | C14 | 115.4° | 120.5° |
| C11 | C16 | C17 | 116.8° | 117.3° |
| C16 | C11 | C12 | 121.5° | 118.3° |
| C16 | C17 | N09 | 112.0° | 120.3° |
| C16 | C17 | C18 | 119.8° | 119.5° |
| C26 | N09 | C17 | 121.1° | 120.0° |
| N09 | C26 | O07 | 125.2° | 120.0° |
| N09 | C26 | H5 | 117.4° | 120.0° |
| C26 | N09 | H14 | 119.5° | 120.0° |
| N09 | C17 | C18 | 128.1° | 120.2° |
| C17 | N09 | H14 | 119.5° | 120.0° |
| C11 | C12 | C14 | 120.3° | 119.4° |
| C11 | C12 | O02 | 120.3° | 119.8° |
| O07 | C26 | H5 | 117.4° | 120.0° |
| C17 | C18 | O02 | 123.5° | 122.7° |
| C17 | C18 | H7 | 118.3° | 118.7° |
| N08 | C10 | C14 | 129.4° | 119.8° |
| C10 | N08 | S01 | 121.4° | 120.0° |
| C10 | N08 | H13 | 106.4° | 120.1° |
| C10 | C14 | C12 | 124.0° | 120.0° |
| C10 | C14 | H6 | 118.0° | 120.0° |
| N08 | S01 | O06 | 107.0° | 104.3° |
| N08 | S01 | C19 | 111.5° | 104.5° |
| N08 | S01 | O05 | 107.7° | 104.3° |
| S01 | N08 | H13 | 106.4° | 120.0° |
| C14 | C12 | O02 | 118.9° | 120.8° |
| C12 | C14 | H6 | 118.0° | 120.0° |
| C12 | O02 | C18 | 115.8° | 122.5° |
| O02 | C18 | H7 | 118.3° | 118.6° |
| O06 | S01 | C19 | 119.6° | 110.5° |
| O06 | S01 | O05 | 108.6° | 121.0° |
| C19 | S01 | O05 | 101.9° | 110.5° |
| S01 | C19 | H8 | 109.5° | 109.5° |
| S01 | C19 | H9 | 109.5° | 109.5° |
| S01 | C19 | H10 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H8 | C19 | H10 | 109.4° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C24 | C25 | H4 | 180.0° | 180.0° |
| C24 | C22 | C20 | H3 | 180.0° | 179.9° |
| C22 | C24 | C25 | C23 | 3.6° | 0.3° |
| C24 | C22 | C20 | O03 | 179.7° | 180.0° |
| C24 | C22 | C20 | C21 | 4.8° | 0.2° |
| C22 | C24 | C25 | H12 | 176.4° | 180.0° |
| C25 | C24 | C22 | C20 | 4.6° | 0.0° |
| C24 | C25 | C23 | H12 | 180.0° | 179.7° |
| C24 | C25 | C23 | C21 | 2.8° | 0.2° |
| C25 | C24 | C22 | H3 | 175.3° | 179.9° |
| C24 | C25 | C23 | H11 | 177.2° | 179.8° |
| C22 | C20 | O03 | C21 | 174.9° | 179.7° |
| C22 | C20 | C21 | C23 | 3.9° | 0.3° |
| C22 | C20 | O03 | C13 | 152.8° | 112.4° |
| C22 | C20 | C21 | H2 | 176.1° | 179.8° |
| C20 | C22 | C24 | H4 | 175.4° | 180.0° |
| C25 | C23 | C21 | C20 | 2.9° | 0.0° |
| C25 | C23 | C21 | H11 | 180.0° | 180.0° |
| C25 | C23 | C21 | H2 | 177.1° | 179.9° |
| C23 | C25 | C24 | H4 | 176.4° | 179.8° |
| O03 | C20 | C21 | C23 | 178.6° | 180.0° |
| C20 | O03 | C13 | C15 | 46.6° | 5.5° |
| C20 | O03 | C13 | C10 | 138.6° | 174.5° |
| O03 | C20 | C21 | H2 | 1.3° | 0.1° |
| O03 | C20 | C22 | H3 | 0.3° | 0.1° |
| C20 | C21 | C23 | H2 | 180.0° | 179.9° |
| C21 | C20 | O03 | C13 | 32.3° | 67.8° |
| C21 | C20 | C22 | H3 | 175.2° | 179.7° |
| C20 | C21 | C23 | H11 | 177.1° | 180.0° |
| O04 | C16 | C11 | C15 | 10.0° | 0.0° |
| O04 | C16 | C11 | C17 | 175.4° | 180.0° |
| O04 | C16 | C17 | N09 | 0.2° | 0.0° |
| O04 | C16 | C11 | C12 | 178.7° | 180.0° |
| O04 | C16 | C17 | C18 | 176.7° | 180.0° |
| C21 | C23 | C25 | H12 | 177.2° | 180.0° |
| O03 | C13 | C15 | C10 | 174.4° | 180.0° |
| O03 | C13 | C15 | C11 | 179.6° | 180.0° |
| O03 | C13 | C10 | N08 | 8.6° | 0.0° |
| O03 | C13 | C10 | C14 | 178.4° | 179.8° |
| O03 | C13 | C15 | H1 | 0.4° | 0.1° |
| C13 | C15 | C11 | H1 | 180.0° | 179.9° |
| C13 | C15 | C11 | C16 | 176.7° | 180.0° |
| C13 | C15 | C11 | C12 | 7.5° | 0.0° |
| C15 | C13 | C10 | N08 | 176.6° | 180.0° |
| C15 | C13 | C10 | C14 | 3.7° | 0.2° |
| C11 | C15 | C13 | C10 | 5.2° | 0.0° |
| C15 | C11 | C16 | C12 | 168.7° | 180.0° |
| C15 | C11 | C16 | C17 | 165.4° | 180.0° |
| C15 | C11 | C12 | C14 | 8.8° | 0.3° |
| C15 | C11 | C12 | O02 | 178.9° | 180.0° |
| C13 | C10 | N08 | C14 | 171.7° | 179.7° |
| C13 | C10 | N08 | S01 | 170.9° | 144.3° |
| C13 | C10 | C14 | C12 | 5.1° | 0.5° |
| C10 | C13 | C15 | H1 | 174.8° | 179.9° |
| C13 | C10 | C14 | H6 | 174.9° | 179.8° |
| C13 | C10 | N08 | H13 | 49.2° | 35.7° |
| C11 | C16 | C17 | N09 | 175.6° | 180.0° |
| C11 | C16 | C17 | C18 | 7.8° | 0.1° |
| C16 | C11 | C12 | C14 | 177.8° | 179.8° |
| C16 | C11 | C12 | O02 | 9.9° | 0.0° |
| C16 | C11 | C15 | H1 | 3.3° | 0.1° |
| C16 | C17 | N09 | C26 | 172.7° | 58.7° |
| C16 | C17 | N09 | C18 | 176.2° | 180.0° |
| C17 | C16 | C11 | C12 | 3.3° | 0.0° |
| C16 | C17 | C18 | O02 | 0.2° | 0.1° |
| C16 | C17 | C18 | H7 | 179.8° | 180.0° |
| C16 | C17 | N09 | H14 | 7.2° | 121.3° |
| C26 | N09 | C17 | H14 | 180.0° | 180.0° |
| N09 | C26 | O07 | H5 | 180.0° | 179.9° |
| C26 | N09 | C17 | C18 | 11.1° | 121.3° |
| C17 | N09 | C26 | O07 | 0.6° | 4.4° |
| N09 | C17 | C18 | O02 | 175.8° | 179.9° |
| C17 | N09 | C26 | H5 | 179.4° | 175.7° |
| N09 | C17 | C18 | H7 | 4.2° | 0.0° |
| C11 | C12 | C14 | C10 | 7.9° | 0.5° |
| C11 | C12 | C14 | O02 | 172.4° | 179.7° |
| C11 | C12 | O02 | C18 | 17.2° | 0.0° |
| C12 | C11 | C15 | H1 | 172.5° | 179.9° |
| C11 | C12 | C14 | H6 | 172.1° | 179.7° |
| O07 | C26 | N09 | H14 | 179.4° | 175.6° |
| C17 | C18 | O02 | C12 | 13.0° | 0.0° |
| C17 | C18 | O02 | H7 | 180.0° | 180.0° |
| C18 | C17 | N09 | H14 | 169.0° | 58.7° |
| C10 | N08 | S01 | H13 | 121.7° | 180.0° |
| N08 | C10 | C14 | C12 | 176.8° | 179.7° |
| C10 | N08 | S01 | O06 | 173.5° | 175.8° |
| C10 | N08 | S01 | C19 | 41.1° | 59.7° |
| C10 | N08 | S01 | O05 | 69.9° | 56.4° |
| N08 | C10 | C14 | H6 | 3.2° | 0.0° |
| C14 | C10 | N08 | S01 | 0.9° | 35.4° |
| C10 | C14 | C12 | H6 | 180.0° | 179.7° |
| C10 | C14 | C12 | O02 | 179.7° | 179.7° |
| C14 | C10 | N08 | H13 | 122.5° | 144.6° |
| N08 | S01 | O06 | C19 | 127.8° | 111.7° |
| N08 | S01 | O06 | O05 | 116.0° | 116.8° |
| N08 | S01 | C19 | O05 | 114.6° | 111.6° |
| N08 | S01 | C19 | H8 | 180.0° | 60.0° |
| N08 | S01 | C19 | H9 | 60.0° | 180.0° |
| N08 | S01 | C19 | H10 | 60.0° | 60.0° |
| C14 | C12 | O02 | C18 | 170.4° | 179.7° |
| O02 | C12 | C14 | H6 | 0.3° | 0.0° |
| C12 | O02 | C18 | H7 | 167.0° | 180.0° |
| O06 | S01 | C19 | O05 | 119.7° | 136.7° |
| O06 | S01 | C19 | H8 | 54.3° | 51.7° |
| O06 | S01 | C19 | H9 | 65.8° | 68.4° |
| O06 | S01 | C19 | H10 | 174.2° | 171.6° |
| O06 | S01 | N08 | H13 | 64.8° | 4.3° |
| S01 | C19 | H8 | H9 | 120.0° | 120.0° |
| S01 | C19 | H8 | H10 | 120.0° | 120.0° |
| S01 | C19 | H9 | H10 | 120.0° | 120.0° |
| C19 | S01 | N08 | H13 | 162.8° | 120.3° |
| O05 | S01 | C19 | H8 | 65.4° | 171.6° |
| O05 | S01 | C19 | H9 | 174.6° | 68.4° |
| O05 | S01 | C19 | H10 | 54.6° | 51.6° |
| O05 | S01 | N08 | H13 | 51.8° | 123.6° |
| H2 | C21 | C23 | H11 | 2.9° | 0.1° |
| H3 | C22 | C24 | H4 | 4.6° | 0.1° |
| H4 | C24 | C25 | H12 | 3.6° | 0.0° |
| H5 | C26 | N09 | H14 | 0.6° | 4.3° |
| H8 | C19 | H9 | H10 | 120.0° | 120.0° |
| H11 | C23 | C25 | H12 | 2.8° | 0.0° |
