7R7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | O14 | sing | 1.43Å | 1.44Å | |
| O14 | C13 | sing | 1.36Å | 1.41Å | |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C13 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | O10 | sing | 1.36Å | 1.36Å | |
| C2 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| O10 | C11 | sing | 1.43Å | 1.43Å | |
| C7 | O5 | sing | 1.46Å | 1.42Å | |
| N3 | C4 | sing | 1.34Å | 1.30Å | |
| C4 | O5 | sing | 1.34Å | 1.35Å | |
| C4 | S6 | doub | 1.71Å | 1.64Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O14 | C13 | 113.5° | 117.0° |
| O14 | C15 | H5 | 109.5° | 109.4° |
| O14 | C15 | H6 | 109.5° | 109.5° |
| O14 | C15 | H7 | 109.5° | 109.5° |
| O14 | C13 | C16 | 126.9° | 120.0° |
| O14 | C13 | C12 | 113.8° | 120.0° |
| O1 | C2 | C7 | 122.5° | 127.2° |
| O1 | C2 | N3 | 127.5° | 127.2° |
| C16 | C13 | C12 | 119.4° | 119.9° |
| C13 | C16 | C17 | 119.5° | 120.0° |
| C13 | C16 | H2 | 120.2° | 120.0° |
| C13 | C12 | C9 | 120.0° | 119.9° |
| C13 | C12 | H3 | 120.0° | 120.1° |
| C16 | C17 | C8 | 122.2° | 120.1° |
| C16 | C17 | H1 | 118.9° | 119.9° |
| C17 | C16 | H2 | 120.2° | 120.0° |
| C12 | C9 | C8 | 121.9° | 119.9° |
| C12 | C9 | O10 | 120.6° | 120.1° |
| C9 | C12 | H3 | 120.0° | 120.0° |
| C17 | C8 | C9 | 117.0° | 120.1° |
| C17 | C8 | C7 | 120.7° | 120.0° |
| C8 | C17 | H1 | 118.9° | 119.9° |
| C8 | C9 | O10 | 117.5° | 120.0° |
| C9 | C8 | C7 | 122.3° | 120.0° |
| C9 | O10 | C11 | 115.3° | 117.0° |
| C7 | C2 | N3 | 110.0° | 105.6° |
| C2 | C7 | C8 | 116.1° | 110.6° |
| C2 | C7 | O5 | 101.0° | 103.8° |
| C2 | C7 | H4 | 108.6° | 110.6° |
| C2 | N3 | C4 | 105.8° | 111.3° |
| C2 | N3 | H11 | 127.1° | 124.4° |
| C8 | C7 | O5 | 112.7° | 110.6° |
| C8 | C7 | H4 | 108.5° | 110.5° |
| O10 | C11 | H8 | 109.5° | 109.4° |
| O10 | C11 | H9 | 109.5° | 109.5° |
| O10 | C11 | H10 | 109.5° | 109.5° |
| C7 | O5 | C4 | 106.8° | 106.9° |
| O5 | C7 | H4 | 109.8° | 110.7° |
| N3 | C4 | O5 | 115.8° | 112.4° |
| N3 | C4 | S6 | 128.9° | 123.8° |
| C4 | N3 | H11 | 127.1° | 124.3° |
| O5 | C4 | S6 | 115.2° | 123.8° |
| H5 | C15 | H6 | 109.4° | 109.4° |
| H5 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | O14 | C13 | C16 | 8.6° | 0.0° |
| C15 | O14 | C13 | C12 | 171.6° | 179.9° |
| O14 | C15 | H5 | H6 | 120.0° | 120.0° |
| O14 | C15 | H5 | H7 | 120.0° | 120.0° |
| O14 | C15 | H6 | H7 | 120.0° | 120.1° |
| O14 | C13 | C16 | C12 | 179.8° | 179.9° |
| O14 | C13 | C16 | C17 | 179.7° | 180.0° |
| O14 | C13 | C12 | C9 | 179.7° | 179.8° |
| O14 | C13 | C16 | H2 | 0.3° | 0.0° |
| O14 | C13 | C12 | H3 | 0.3° | 0.2° |
| C13 | O14 | C15 | H5 | 180.0° | 180.0° |
| C13 | O14 | C15 | H6 | 60.0° | 60.0° |
| C13 | O14 | C15 | H7 | 60.0° | 60.0° |
| O1 | C2 | C7 | N3 | 179.7° | 179.7° |
| O1 | C2 | C7 | C8 | 59.3° | 61.1° |
| O1 | C2 | C7 | O5 | 178.6° | 179.7° |
| O1 | C2 | N3 | C4 | 176.5° | 179.7° |
| O1 | C2 | C7 | H4 | 63.2° | 61.6° |
| O1 | C2 | N3 | H11 | 3.4° | 0.3° |
| C13 | C16 | C17 | H2 | 180.0° | 180.0° |
| C16 | C13 | C12 | C9 | 0.1° | 0.2° |
| C13 | C16 | C17 | C8 | 0.4° | 0.0° |
| C13 | C16 | C17 | H1 | 179.6° | 179.7° |
| C16 | C13 | C12 | H3 | 179.9° | 179.8° |
| C12 | C13 | C16 | C17 | 0.5° | 0.1° |
| C13 | C12 | C9 | H3 | 180.0° | 179.6° |
| C13 | C12 | C9 | C8 | 0.8° | 0.4° |
| C13 | C12 | C9 | O10 | 178.7° | 180.0° |
| C12 | C13 | C16 | H2 | 179.5° | 180.0° |
| C16 | C17 | C8 | H1 | 180.0° | 179.7° |
| C16 | C17 | C8 | C9 | 0.4° | 0.2° |
| C16 | C17 | C8 | C7 | 180.0° | 179.8° |
| C12 | C9 | C8 | C17 | 1.0° | 0.4° |
| C12 | C9 | C8 | O10 | 177.9° | 179.6° |
| C12 | C9 | C8 | C7 | 179.4° | 179.6° |
| C12 | C9 | O10 | C11 | 64.9° | 0.1° |
| C17 | C8 | C9 | C7 | 179.6° | 180.0° |
| C17 | C8 | C9 | O10 | 178.9° | 180.0° |
| C17 | C8 | C7 | C2 | 121.2° | 95.0° |
| C17 | C8 | C7 | O5 | 123.0° | 19.4° |
| C8 | C17 | C16 | H2 | 179.6° | 180.0° |
| C17 | C8 | C7 | H4 | 1.3° | 142.2° |
| C9 | C8 | C7 | C2 | 59.2° | 85.0° |
| C8 | C9 | O10 | C11 | 117.1° | 179.5° |
| C9 | C8 | C7 | O5 | 56.5° | 160.6° |
| C9 | C8 | C17 | H1 | 179.6° | 179.9° |
| C8 | C9 | C12 | H3 | 179.2° | 180.0° |
| C9 | C8 | C7 | H4 | 178.3° | 37.8° |
| O10 | C9 | C8 | C7 | 1.5° | 0.1° |
| O10 | C9 | C12 | H3 | 1.3° | 0.4° |
| C9 | O10 | C11 | H8 | 180.0° | 60.0° |
| C9 | O10 | C11 | H9 | 60.0° | 59.9° |
| C9 | O10 | C11 | H10 | 60.0° | 180.0° |
| C2 | C7 | C8 | O5 | 115.7° | 114.4° |
| C2 | C7 | C8 | H4 | 122.5° | 122.8° |
| C2 | C7 | O5 | H4 | 114.5° | 118.7° |
| C7 | C2 | N3 | C4 | 3.2° | 0.0° |
| C2 | C7 | O5 | C4 | 5.7° | 0.0° |
| C7 | C2 | N3 | H11 | 176.9° | 180.0° |
| N3 | C2 | C7 | C8 | 120.5° | 118.6° |
| N3 | C2 | C7 | O5 | 1.6° | 0.0° |
| C2 | N3 | C4 | H11 | 180.0° | 180.0° |
| C2 | N3 | C4 | O5 | 7.6° | 0.0° |
| C2 | N3 | C4 | S6 | 176.1° | 180.0° |
| N3 | C2 | C7 | H4 | 117.1° | 118.7° |
| C8 | C7 | O5 | H4 | 121.0° | 122.8° |
| C8 | C7 | O5 | C4 | 118.8° | 118.6° |
| C7 | C8 | C17 | H1 | 0.0° | 0.0° |
| O10 | C11 | H8 | H9 | 120.0° | 120.0° |
| O10 | C11 | H8 | H10 | 120.0° | 120.0° |
| O10 | C11 | H9 | H10 | 120.0° | 120.1° |
| C7 | O5 | C4 | N3 | 8.8° | 0.0° |
| C7 | O5 | C4 | S6 | 174.4° | 180.0° |
| N3 | C4 | O5 | S6 | 176.8° | 179.9° |
| C4 | O5 | C7 | H4 | 120.2° | 118.7° |
| O5 | C4 | N3 | H11 | 172.5° | 180.0° |
| S6 | C4 | N3 | H11 | 3.8° | 0.1° |
| H1 | C17 | C16 | H2 | 0.4° | 0.3° |
| H5 | C15 | H6 | H7 | 120.0° | 119.9° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
