R6Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | N25 | doub | 1.29Å | 1.34Å | Aromatic |
| N24 | N23 | sing | 1.41Å | 1.35Å | Aromatic |
| N15 | N14 | doub | 1.29Å | 1.35Å | Aromatic |
| N15 | N16 | sing | 1.28Å | 1.36Å | Aromatic |
| N25 | N26 | sing | 1.28Å | 1.37Å | Aromatic |
| N23 | C22 | sing | 1.36Å | 1.35Å | Aromatic |
| N14 | N13 | sing | 1.41Å | 1.35Å | Aromatic |
| N16 | C12 | doub | 1.32Å | 1.33Å | Aromatic |
| N26 | C22 | doub | 1.32Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.54Å | |
| N13 | C12 | sing | 1.36Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.49Å | |
| C21 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.37Å | Aromatic |
| C17 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
| N18 | C19 | sing | 1.40Å | 1.43Å | |
| N18 | C02 | sing | 1.35Å | 1.38Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.49Å | |
| C03 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | O01 | doub | 1.22Å | 1.20Å | |
| C05 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| F08 | C06 | sing | 1.40Å | 1.34Å | |
| C06 | F07 | sing | 1.40Å | 1.33Å | |
| C06 | F09 | sing | 1.40Å | 1.35Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C29 | H7 | sing | 1.08Å | 1.08Å | |
| N13 | H8 | sing | 0.97Å | 1.00Å | |
| N18 | H9 | sing | 0.97Å | 1.00Å | |
| N23 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N25 | N24 | N23 | 107.8° | 106.8° |
| N24 | N25 | N26 | 108.6° | 110.4° |
| N24 | N23 | C22 | 109.0° | 105.2° |
| N24 | N23 | H10 | 125.5° | 127.4° |
| N14 | N15 | N16 | 110.9° | 110.4° |
| N15 | N14 | N13 | 105.9° | 106.9° |
| N15 | N16 | C12 | 104.8° | 110.5° |
| N25 | N26 | C22 | 107.2° | 110.5° |
| N23 | C22 | N26 | 107.5° | 107.0° |
| N23 | C22 | C21 | 123.9° | 126.5° |
| C22 | N23 | H10 | 125.5° | 127.4° |
| N14 | N13 | C12 | 107.8° | 105.2° |
| N14 | N13 | H8 | 126.1° | 127.4° |
| N16 | C12 | N13 | 110.7° | 107.0° |
| N16 | C12 | C11 | 122.6° | 126.5° |
| N26 | C22 | C21 | 128.6° | 126.5° |
| C22 | C21 | C20 | 117.2° | 120.1° |
| C22 | C21 | C27 | 124.6° | 120.1° |
| N13 | C12 | C11 | 126.7° | 126.5° |
| C12 | N13 | H8 | 126.1° | 127.4° |
| C12 | C11 | C17 | 120.6° | 120.1° |
| C12 | C11 | C10 | 118.6° | 120.0° |
| C20 | C21 | C27 | 118.1° | 119.8° |
| C21 | C20 | C19 | 120.4° | 119.8° |
| C21 | C20 | H4 | 119.8° | 120.1° |
| C21 | C27 | C28 | 121.5° | 120.0° |
| C21 | C27 | H5 | 119.3° | 120.0° |
| C20 | C19 | N18 | 114.6° | 120.0° |
| C20 | C19 | C29 | 122.0° | 120.0° |
| C19 | C20 | H4 | 119.8° | 120.1° |
| C17 | C11 | C10 | 120.9° | 119.9° |
| C11 | C17 | C03 | 118.2° | 119.7° |
| C11 | C17 | H3 | 120.9° | 120.1° |
| C11 | C10 | C05 | 120.5° | 120.1° |
| C11 | C10 | H2 | 119.7° | 120.0° |
| C17 | C03 | C02 | 121.0° | 120.0° |
| C17 | C03 | C04 | 121.9° | 119.9° |
| C03 | C17 | H3 | 120.9° | 120.1° |
| C10 | C05 | C04 | 120.2° | 120.3° |
| C10 | C05 | C06 | 119.3° | 119.9° |
| C05 | C10 | H2 | 119.8° | 119.9° |
| C19 | N18 | C02 | 124.6° | 120.0° |
| N18 | C19 | C29 | 123.5° | 120.0° |
| C19 | N18 | H9 | 117.7° | 120.0° |
| N18 | C02 | C03 | 116.4° | 120.0° |
| N18 | C02 | O01 | 120.6° | 120.0° |
| C02 | N18 | H9 | 117.7° | 120.0° |
| C27 | C28 | C29 | 120.7° | 120.2° |
| C28 | C27 | H5 | 119.2° | 120.0° |
| C27 | C28 | H6 | 119.7° | 119.9° |
| C19 | C29 | C28 | 117.4° | 120.2° |
| C19 | C29 | H7 | 121.3° | 119.9° |
| C02 | C03 | C04 | 117.1° | 120.1° |
| C03 | C02 | O01 | 123.1° | 120.1° |
| C03 | C04 | C05 | 118.3° | 120.1° |
| C03 | C04 | H1 | 120.8° | 119.9° |
| C04 | C05 | C06 | 120.5° | 119.8° |
| C05 | C04 | H1 | 120.8° | 120.0° |
| C05 | C06 | F08 | 112.0° | 109.5° |
| C05 | C06 | F07 | 115.0° | 109.5° |
| C05 | C06 | F09 | 110.0° | 109.5° |
| C29 | C28 | H6 | 119.7° | 119.9° |
| C28 | C29 | H7 | 121.3° | 119.9° |
| F08 | C06 | F07 | 108.0° | 109.5° |
| F08 | C06 | F09 | 106.4° | 109.4° |
| F07 | C06 | F09 | 104.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | N24 | N23 | C22 | 0.1° | 0.1° |
| N24 | N25 | N26 | C22 | 0.3° | 0.4° |
| N25 | N24 | N23 | H10 | 179.9° | 180.0° |
| N23 | N24 | N25 | N26 | 0.1° | 0.3° |
| N24 | N23 | C22 | H10 | 180.0° | 179.9° |
| N24 | N23 | C22 | N26 | 0.3° | 0.2° |
| N24 | N23 | C22 | C21 | 179.9° | 180.0° |
| N14 | N15 | N16 | C12 | 0.9° | 0.4° |
| N15 | N14 | N13 | C12 | 0.2° | 0.0° |
| N15 | N14 | N13 | H8 | 179.8° | 180.0° |
| N16 | N15 | N14 | N13 | 0.7° | 0.2° |
| N15 | N16 | C12 | N13 | 0.8° | 0.4° |
| N15 | N16 | C12 | C11 | 177.9° | 179.9° |
| N25 | N26 | C22 | N23 | 0.3° | 0.4° |
| N25 | N26 | C22 | C21 | 180.0° | 179.8° |
| N23 | C22 | N26 | C21 | 179.6° | 179.8° |
| N23 | C22 | C21 | C20 | 33.9° | 180.0° |
| N23 | C22 | C21 | C27 | 143.8° | 0.1° |
| N14 | N13 | C12 | N16 | 0.4° | 0.2° |
| N14 | N13 | C12 | H8 | 180.0° | 180.0° |
| N14 | N13 | C12 | C11 | 177.4° | 180.0° |
| N16 | C12 | N13 | C11 | 177.0° | 179.8° |
| N16 | C12 | C11 | C17 | 27.9° | 179.7° |
| N16 | C12 | C11 | C10 | 151.3° | 0.9° |
| N16 | C12 | N13 | H8 | 179.6° | 179.7° |
| N26 | C22 | C21 | C20 | 146.5° | 0.3° |
| N26 | C22 | C21 | C27 | 35.8° | 179.7° |
| N26 | C22 | N23 | H10 | 179.8° | 179.8° |
| C22 | C21 | C20 | C27 | 177.9° | 180.0° |
| C22 | C21 | C20 | C19 | 178.5° | 180.0° |
| C22 | C21 | C27 | C28 | 178.9° | 180.0° |
| C22 | C21 | C20 | H4 | 1.5° | 0.1° |
| C22 | C21 | C27 | H5 | 1.2° | 0.0° |
| C21 | C22 | N23 | H10 | 0.1° | 0.1° |
| N13 | C12 | C11 | C17 | 155.4° | 0.0° |
| N13 | C12 | C11 | C10 | 25.3° | 179.4° |
| C12 | C11 | C17 | C10 | 179.2° | 179.4° |
| C12 | C11 | C17 | C03 | 179.7° | 180.0° |
| C12 | C11 | C10 | C05 | 179.8° | 179.7° |
| C12 | C11 | C10 | H2 | 0.2° | 0.3° |
| C12 | C11 | C17 | H3 | 0.3° | 0.5° |
| C11 | C12 | N13 | H8 | 2.6° | 0.0° |
| C21 | C20 | C19 | H4 | 180.0° | 179.9° |
| C21 | C20 | C19 | N18 | 179.2° | 179.7° |
| C20 | C21 | C27 | C28 | 1.1° | 0.0° |
| C21 | C20 | C19 | C29 | 0.4° | 0.0° |
| C20 | C21 | C27 | H5 | 178.9° | 180.0° |
| C27 | C21 | C20 | C19 | 0.6° | 0.0° |
| C21 | C27 | C28 | H5 | 180.0° | 180.0° |
| C21 | C27 | C28 | C29 | 0.6° | 0.1° |
| C27 | C21 | C20 | H4 | 179.3° | 179.9° |
| C21 | C27 | C28 | H6 | 179.4° | 179.9° |
| C20 | C19 | N18 | C29 | 178.8° | 179.7° |
| C20 | C19 | N18 | C02 | 145.1° | 35.4° |
| C20 | C19 | C29 | C28 | 0.9° | 0.0° |
| C20 | C19 | C29 | H7 | 179.1° | 180.0° |
| C20 | C19 | N18 | H9 | 34.9° | 144.6° |
| C11 | C17 | C03 | H3 | 180.0° | 179.5° |
| C17 | C11 | C10 | C05 | 0.6° | 0.3° |
| C11 | C17 | C03 | C02 | 177.8° | 179.8° |
| C11 | C17 | C03 | C04 | 0.9° | 0.5° |
| C17 | C11 | C10 | H2 | 179.4° | 179.8° |
| C10 | C11 | C17 | C03 | 0.5° | 0.5° |
| C11 | C10 | C05 | H2 | 180.0° | 179.9° |
| C11 | C10 | C05 | C04 | 0.9° | 0.1° |
| C11 | C10 | C05 | C06 | 179.2° | 180.0° |
| C10 | C11 | C17 | H3 | 179.5° | 180.0° |
| C17 | C03 | C02 | N18 | 31.7° | 180.0° |
| C17 | C03 | C02 | C04 | 177.0° | 179.7° |
| C17 | C03 | C02 | O01 | 146.5° | 0.3° |
| C17 | C03 | C04 | C05 | 1.3° | 0.3° |
| C17 | C03 | C04 | H1 | 178.7° | 179.7° |
| C10 | C05 | C04 | C03 | 1.3° | 0.1° |
| C10 | C05 | C04 | C06 | 179.9° | 179.9° |
| C10 | C05 | C06 | F08 | 87.4° | 60.0° |
| C10 | C05 | C06 | F07 | 36.4° | 180.0° |
| C10 | C05 | C06 | F09 | 154.5° | 60.0° |
| C10 | C05 | C04 | H1 | 178.7° | 180.0° |
| C19 | N18 | C02 | H9 | 180.0° | 180.0° |
| C19 | N18 | C02 | C03 | 178.9° | 175.1° |
| C19 | N18 | C02 | O01 | 0.7° | 4.6° |
| N18 | C19 | C29 | C28 | 179.6° | 179.7° |
| N18 | C19 | C20 | H4 | 0.9° | 0.3° |
| N18 | C19 | C29 | H7 | 0.4° | 0.2° |
| C02 | N18 | C19 | C29 | 36.1° | 144.9° |
| N18 | C02 | C03 | O01 | 178.2° | 179.7° |
| N18 | C02 | C03 | C04 | 151.2° | 0.3° |
| C27 | C28 | C29 | C19 | 0.4° | 0.1° |
| C27 | C28 | C29 | H6 | 180.0° | 179.9° |
| C27 | C28 | C29 | H7 | 179.6° | 180.0° |
| C19 | C29 | C28 | H7 | 180.0° | 179.9° |
| C29 | C19 | C20 | H4 | 179.6° | 179.9° |
| C19 | C29 | C28 | H6 | 179.6° | 179.9° |
| C29 | C19 | N18 | H9 | 143.9° | 35.1° |
| C02 | C03 | C04 | C05 | 178.3° | 180.0° |
| C02 | C03 | C04 | H1 | 1.7° | 0.0° |
| C02 | C03 | C17 | H3 | 2.2° | 0.3° |
| C03 | C02 | N18 | H9 | 1.0° | 4.9° |
| C04 | C03 | C02 | O01 | 30.6° | 180.0° |
| C03 | C04 | C05 | H1 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 178.9° | 180.0° |
| C04 | C03 | C17 | H3 | 179.1° | 180.0° |
| O01 | C02 | N18 | H9 | 179.3° | 175.4° |
| C04 | C05 | C06 | F08 | 92.5° | 120.0° |
| C04 | C05 | C06 | F07 | 143.7° | 0.0° |
| C04 | C05 | C06 | F09 | 25.6° | 120.0° |
| C04 | C05 | C10 | H2 | 179.0° | 180.0° |
| C05 | C06 | F08 | F07 | 127.6° | 120.0° |
| C05 | C06 | F08 | F09 | 120.2° | 120.0° |
| C05 | C06 | F07 | F09 | 121.0° | 120.0° |
| C06 | C05 | C04 | H1 | 1.1° | 0.0° |
| C06 | C05 | C10 | H2 | 0.8° | 0.1° |
| C29 | C28 | C27 | H5 | 179.4° | 180.0° |
| F08 | C06 | F07 | F09 | 113.2° | 120.0° |
| H5 | C27 | C28 | H6 | 0.6° | 0.1° |
| H6 | C28 | C29 | H7 | 0.4° | 0.1° |
