7GG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.46Å | |
| N11 | C10 | sing | 1.39Å | 1.47Å | |
| C10 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | N09 | sing | 1.33Å | 1.32Å | Aromatic |
| N18 | C19 | sing | 1.34Å | 1.37Å | Aromatic |
| N09 | C08 | doub | 1.34Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C19 | N23 | sing | 1.35Å | 1.36Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | N03 | sing | 1.46Å | 1.43Å | |
| N23 | C22 | doub | 1.30Å | 1.34Å | Aromatic |
| C08 | C20 | sing | 1.40Å | 1.45Å | Aromatic |
| C08 | C07 | sing | 1.47Å | 1.57Å | |
| C20 | N21 | sing | 1.38Å | 1.36Å | Aromatic |
| N03 | C04 | sing | 1.47Å | 1.44Å | |
| N03 | C06 | sing | 1.38Å | 1.42Å | |
| C22 | N21 | sing | 1.35Å | 1.35Å | Aromatic |
| C07 | C06 | doub | 1.34Å | 1.42Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| N21 | H19 | sing | 0.97Å | 1.00Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 119.3° | 120.1° |
| C16 | C15 | C14 | 120.1° | 120.2° |
| C16 | C15 | H16 | 120.0° | 120.0° |
| C15 | C16 | H17 | 120.3° | 119.9° |
| C16 | C17 | C12 | 120.7° | 119.9° |
| C17 | C16 | H17 | 120.4° | 120.0° |
| C16 | C17 | H18 | 119.7° | 120.0° |
| C15 | C14 | C13 | 120.5° | 120.1° |
| C15 | C14 | H1 | 119.7° | 120.0° |
| C14 | C15 | H16 | 120.0° | 119.9° |
| C17 | C12 | C13 | 120.1° | 119.8° |
| C17 | C12 | N11 | 116.8° | 120.1° |
| C12 | C17 | H18 | 119.6° | 120.1° |
| C14 | C13 | C12 | 119.4° | 119.9° |
| C13 | C14 | H1 | 119.8° | 120.0° |
| C14 | C13 | H2 | 120.3° | 120.0° |
| C13 | C12 | N11 | 123.1° | 120.1° |
| C12 | C13 | H2 | 120.3° | 120.0° |
| C12 | N11 | C10 | 129.7° | 120.0° |
| C12 | N11 | H15 | 115.2° | 120.0° |
| N11 | C10 | N18 | 112.0° | 118.8° |
| N11 | C10 | N09 | 125.0° | 118.8° |
| C10 | N11 | H15 | 115.2° | 120.0° |
| N18 | C10 | N09 | 123.0° | 122.5° |
| C10 | N18 | C19 | 121.9° | 120.6° |
| C10 | N09 | C08 | 119.3° | 120.9° |
| N18 | C19 | N23 | 134.7° | 134.4° |
| N18 | C19 | C20 | 118.1° | 118.8° |
| N09 | C08 | C20 | 118.4° | 118.5° |
| N09 | C08 | C07 | 128.8° | 120.7° |
| C01 | C02 | N03 | 110.8° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.4° | 109.5° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C01 | C02 | H6 | 109.2° | 109.5° |
| C01 | C02 | H7 | 109.2° | 109.5° |
| N23 | C19 | C20 | 107.1° | 106.8° |
| C19 | N23 | C22 | 108.9° | 109.8° |
| C19 | C20 | C08 | 119.4° | 118.7° |
| C19 | C20 | N21 | 107.2° | 106.1° |
| C02 | N03 | C04 | 115.5° | 120.0° |
| C02 | N03 | C06 | 119.0° | 120.0° |
| N03 | C02 | H6 | 109.1° | 109.4° |
| N03 | C02 | H7 | 109.1° | 109.5° |
| N23 | C22 | N21 | 108.6° | 110.1° |
| N23 | C22 | H20 | 125.7° | 124.9° |
| C20 | C08 | C07 | 112.8° | 120.7° |
| C08 | C20 | N21 | 133.4° | 135.2° |
| C08 | C07 | C06 | 137.2° | 120.0° |
| C08 | C07 | H14 | 111.4° | 120.0° |
| C20 | N21 | C22 | 108.1° | 107.2° |
| C20 | N21 | H19 | 126.0° | 126.5° |
| C04 | N03 | C06 | 113.7° | 120.0° |
| N03 | C04 | C05 | 111.2° | 109.5° |
| N03 | C04 | H8 | 109.0° | 109.5° |
| N03 | C04 | H9 | 109.0° | 109.5° |
| N03 | C06 | C07 | 133.7° | 119.9° |
| N03 | C06 | H13 | 113.2° | 120.0° |
| C22 | N21 | H19 | 125.9° | 126.3° |
| N21 | C22 | H20 | 125.7° | 125.0° |
| C07 | C06 | H13 | 113.1° | 120.0° |
| C06 | C07 | H14 | 111.4° | 120.0° |
| C05 | C04 | H8 | 109.0° | 109.5° |
| C05 | C04 | H9 | 109.0° | 109.5° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C04 | C05 | H11 | 109.4° | 109.5° |
| C04 | C05 | H12 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C02 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H10 | C05 | H12 | 109.4° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.1° | 0.3° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C16 | C15 | C14 | H1 | 179.7° | 179.7° |
| C15 | C16 | C17 | H18 | 179.9° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C16 | C17 | C12 | H18 | 180.0° | 179.7° |
| C16 | C17 | C12 | C13 | 0.5° | 0.5° |
| C16 | C17 | C12 | N11 | 179.4° | 180.0° |
| C17 | C16 | C15 | H16 | 179.7° | 180.0° |
| C15 | C14 | C13 | H1 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.2° | 0.3° |
| C15 | C14 | C13 | H2 | 179.8° | 179.8° |
| C14 | C15 | C16 | H17 | 179.7° | 180.0° |
| C17 | C12 | C13 | C14 | 0.6° | 0.5° |
| C17 | C12 | C13 | N11 | 178.8° | 179.5° |
| C17 | C12 | N11 | C10 | 174.5° | 148.3° |
| C17 | C12 | C13 | H2 | 179.4° | 179.5° |
| C17 | C12 | N11 | H15 | 5.5° | 31.7° |
| C12 | C17 | C16 | H17 | 179.9° | 179.7° |
| C14 | C13 | C12 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | N11 | 179.4° | 180.0° |
| C13 | C14 | C15 | H16 | 179.7° | 180.0° |
| C13 | C12 | N11 | C10 | 6.7° | 32.3° |
| C12 | C13 | C14 | H1 | 179.8° | 179.9° |
| C13 | C12 | N11 | H15 | 173.3° | 147.8° |
| C13 | C12 | C17 | H18 | 179.5° | 179.8° |
| C12 | N11 | C10 | H15 | 180.0° | 180.0° |
| C12 | N11 | C10 | N18 | 177.8° | 4.3° |
| C12 | N11 | C10 | N09 | 2.5° | 175.4° |
| N11 | C12 | C13 | H2 | 0.7° | 0.1° |
| N11 | C12 | C17 | H18 | 0.6° | 0.3° |
| N11 | C10 | N18 | N09 | 179.7° | 179.6° |
| N11 | C10 | N18 | C19 | 179.8° | 179.7° |
| N11 | C10 | N09 | C08 | 179.6° | 179.7° |
| N18 | C10 | N09 | C08 | 0.1° | 0.1° |
| C10 | N18 | C19 | N23 | 179.3° | 180.0° |
| C10 | N18 | C19 | C20 | 0.6° | 0.1° |
| N18 | C10 | N11 | H15 | 2.2° | 175.7° |
| N09 | C10 | N18 | C19 | 0.5° | 0.0° |
| C10 | N09 | C08 | C20 | 0.5° | 0.0° |
| C10 | N09 | C08 | C07 | 180.0° | 180.0° |
| N09 | C10 | N11 | H15 | 177.5° | 4.7° |
| N18 | C19 | N23 | C20 | 179.9° | 179.9° |
| N18 | C19 | N23 | C22 | 179.8° | 179.9° |
| N18 | C19 | C20 | C08 | 0.2° | 0.1° |
| N18 | C19 | C20 | N21 | 179.7° | 180.0° |
| N09 | C08 | C20 | C19 | 0.4° | 0.0° |
| N09 | C08 | C20 | C07 | 179.6° | 180.0° |
| N09 | C08 | C20 | N21 | 179.8° | 180.0° |
| N09 | C08 | C07 | C06 | 7.8° | 58.5° |
| N09 | C08 | C07 | H14 | 172.2° | 121.5° |
| C01 | C02 | N03 | H6 | 120.2° | 120.0° |
| C01 | C02 | N03 | H7 | 120.2° | 120.0° |
| C01 | C02 | N03 | C04 | 31.9° | 157.6° |
| C01 | C02 | N03 | C06 | 172.6° | 22.3° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | H6 | H7 | 119.4° | 120.0° |
| N23 | C19 | C20 | C08 | 179.7° | 179.9° |
| N23 | C19 | C20 | N21 | 0.4° | 0.0° |
| C19 | N23 | C22 | N21 | 0.1° | 0.0° |
| C19 | N23 | C22 | H20 | 179.9° | 180.0° |
| C20 | C19 | N23 | C22 | 0.3° | 0.0° |
| C19 | C20 | C08 | N21 | 179.9° | 179.9° |
| C19 | C20 | C08 | C07 | 179.9° | 180.0° |
| C19 | C20 | N21 | C22 | 0.3° | 0.0° |
| C19 | C20 | N21 | H19 | 179.7° | 179.9° |
| C02 | N03 | C04 | C06 | 142.7° | 180.0° |
| C02 | N03 | C06 | C07 | 75.0° | 152.5° |
| C02 | N03 | C04 | C05 | 104.1° | 90.0° |
| N03 | C02 | C01 | H3 | 180.0° | 154.2° |
| N03 | C02 | C01 | H4 | 60.0° | 85.8° |
| N03 | C02 | C01 | H5 | 60.0° | 34.3° |
| N03 | C02 | H6 | H7 | 119.4° | 120.0° |
| C02 | N03 | C04 | H8 | 135.7° | 150.0° |
| C02 | N03 | C04 | H9 | 16.2° | 30.0° |
| C02 | N03 | C06 | H13 | 105.0° | 27.5° |
| N23 | C22 | N21 | C20 | 0.1° | 0.0° |
| N23 | C22 | N21 | H20 | 180.0° | 180.0° |
| N23 | C22 | N21 | H19 | 179.9° | 179.9° |
| C08 | C20 | N21 | C22 | 179.8° | 179.9° |
| C20 | C08 | C07 | C06 | 171.7° | 121.5° |
| C20 | C08 | C07 | H14 | 8.2° | 58.5° |
| C08 | C20 | N21 | H19 | 0.2° | 0.0° |
| C07 | C08 | C20 | N21 | 0.2° | 0.0° |
| C08 | C07 | C06 | N03 | 2.6° | 30.8° |
| C08 | C07 | C06 | H14 | 180.0° | 179.9° |
| C08 | C07 | C06 | H13 | 177.4° | 149.2° |
| C20 | N21 | C22 | H19 | 180.0° | 180.0° |
| C20 | N21 | C22 | H20 | 179.9° | 180.0° |
| C04 | N03 | C06 | C07 | 143.7° | 27.5° |
| N03 | C04 | C05 | H8 | 120.3° | 120.0° |
| N03 | C04 | C05 | H9 | 120.3° | 120.0° |
| C04 | N03 | C02 | H6 | 88.3° | 82.4° |
| C04 | N03 | C02 | H7 | 152.1° | 37.6° |
| N03 | C04 | H8 | H9 | 119.2° | 120.0° |
| N03 | C04 | C05 | H10 | 180.0° | 60.0° |
| N03 | C04 | C05 | H11 | 60.0° | 60.0° |
| N03 | C04 | C05 | H12 | 60.0° | 180.0° |
| C04 | N03 | C06 | H13 | 36.3° | 152.5° |
| N03 | C06 | C07 | H13 | 180.0° | 180.0° |
| C06 | N03 | C04 | C05 | 38.6° | 90.0° |
| C06 | N03 | C02 | H6 | 52.3° | 97.6° |
| C06 | N03 | C02 | H7 | 67.3° | 142.3° |
| C06 | N03 | C04 | H8 | 81.6° | 30.0° |
| C06 | N03 | C04 | H9 | 158.9° | 150.0° |
| N03 | C06 | C07 | H14 | 177.5° | 149.2° |
| C05 | C04 | H8 | H9 | 119.2° | 120.0° |
| C04 | C05 | H10 | H11 | 120.0° | 120.0° |
| C04 | C05 | H10 | H12 | 120.0° | 119.9° |
| C04 | C05 | H11 | H12 | 120.0° | 120.0° |
| H1 | C14 | C13 | H2 | 0.2° | 0.1° |
| H1 | C14 | C15 | H16 | 0.3° | 0.3° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H3 | C01 | C02 | H6 | 59.8° | 85.8° |
| H3 | C01 | C02 | H7 | 59.8° | 34.2° |
| H4 | C01 | C02 | H6 | 60.2° | 34.2° |
| H4 | C01 | C02 | H7 | 179.8° | 154.2° |
| H5 | C01 | C02 | H6 | 179.8° | 154.2° |
| H5 | C01 | C02 | H7 | 60.2° | 85.8° |
| H8 | C04 | C05 | H10 | 59.7° | NaN° |
| H8 | C04 | C05 | H11 | 179.7° | 60.0° |
| H8 | C04 | C05 | H12 | 60.3° | 60.1° |
| H9 | C04 | C05 | H10 | 59.8° | 60.0° |
| H9 | C04 | C05 | H11 | 60.3° | 180.0° |
| H9 | C04 | C05 | H12 | 179.7° | 60.0° |
| H10 | C05 | H11 | H12 | 120.0° | 120.0° |
| H13 | C06 | C07 | H14 | 2.5° | 30.8° |
| H16 | C15 | C16 | H17 | 0.3° | 0.0° |
| H17 | C16 | C17 | H18 | 0.1° | 0.0° |
| H19 | N21 | C22 | H20 | 0.1° | 0.0° |
