G4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N29 | C28 | trip | 1.14Å | 1.14Å | |
| C28 | C24 | sing | 1.43Å | 1.45Å | |
| N25 | C24 | doub | 1.33Å | 1.35Å | Aromatic |
| N25 | C26 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | N27 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| N27 | C22 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | N19 | sing | 1.38Å | 1.37Å | |
| N19 | C18 | sing | 1.47Å | 1.47Å | |
| N19 | C20 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| O15 | C14 | doub | 1.21Å | 1.21Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C16 | sing | 1.53Å | 1.53Å | |
| F01 | C02 | sing | 1.35Å | 1.35Å | |
| C16 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | N13 | sing | 1.35Å | 1.38Å | |
| C08 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| N13 | C09 | sing | 1.47Å | 1.48Å | |
| N13 | N12 | sing | 1.37Å | 1.37Å | |
| C09 | C07 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | sing | 1.55Å | 1.54Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| N12 | C11 | sing | 1.49Å | 1.27Å | |
| C06 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | F05 | sing | 1.35Å | 1.36Å | |
| C10 | C11 | sing | 1.55Å | 1.47Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| N12 | H3 | sing | 1.01Å | 1.00Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C03 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C08 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N29 | C28 | C24 | 178.4° | 179.9° |
| C28 | C24 | N25 | 116.2° | 120.5° |
| C28 | C24 | C23 | 120.0° | 120.6° |
| C24 | N25 | C26 | 114.1° | 120.9° |
| N25 | C24 | C23 | 123.8° | 119.0° |
| N25 | C26 | N27 | 128.4° | 122.0° |
| N25 | C26 | H10 | 115.8° | 119.0° |
| C24 | C23 | C22 | 115.5° | 118.2° |
| C24 | C23 | H19 | 122.3° | 120.9° |
| C26 | N27 | C22 | 115.3° | 121.0° |
| N27 | C26 | H10 | 115.8° | 119.0° |
| C23 | C22 | N27 | 122.6° | 119.0° |
| C23 | C22 | N19 | 121.4° | 120.5° |
| C22 | C23 | H19 | 122.3° | 120.9° |
| N27 | C22 | N19 | 116.0° | 120.5° |
| C22 | N19 | C18 | 122.6° | 111.0° |
| C22 | N19 | C20 | 121.4° | 111.0° |
| C18 | N19 | C20 | 114.3° | 111.2° |
| N19 | C18 | C17 | 111.3° | 109.5° |
| N19 | C18 | H11 | 109.0° | 109.4° |
| N19 | C18 | H12 | 109.0° | 109.5° |
| N19 | C20 | C21 | 111.8° | 109.5° |
| N19 | C20 | H6 | 108.9° | 109.5° |
| N19 | C20 | H7 | 108.9° | 109.5° |
| C18 | C17 | C16 | 109.8° | 109.3° |
| C18 | C17 | H4 | 109.4° | 109.5° |
| C18 | C17 | H5 | 109.4° | 109.5° |
| C17 | C18 | H11 | 109.0° | 109.5° |
| C17 | C18 | H12 | 109.0° | 109.4° |
| C17 | C16 | C21 | 109.5° | 109.2° |
| C17 | C16 | C14 | 110.9° | 109.5° |
| C16 | C17 | H4 | 109.4° | 109.5° |
| C16 | C17 | H5 | 109.4° | 109.5° |
| C17 | C16 | H15 | 108.6° | 109.5° |
| O15 | C14 | C16 | 121.4° | 120.0° |
| O15 | C14 | N13 | 120.0° | 120.0° |
| C20 | C21 | C16 | 108.8° | 109.3° |
| C21 | C20 | H6 | 108.9° | 109.5° |
| C21 | C20 | H7 | 108.9° | 109.4° |
| C20 | C21 | H8 | 109.6° | 109.6° |
| C20 | C21 | H9 | 109.6° | 109.5° |
| C21 | C16 | C14 | 110.4° | 109.5° |
| C16 | C21 | H8 | 109.7° | 109.5° |
| C16 | C21 | H9 | 109.7° | 109.5° |
| C21 | C16 | H15 | 108.6° | 109.6° |
| F01 | C02 | C08 | 118.0° | 120.0° |
| F01 | C02 | C03 | 118.1° | 120.0° |
| C16 | C14 | N13 | 118.6° | 120.0° |
| C14 | C16 | H15 | 108.8° | 109.5° |
| C14 | N13 | C09 | 125.2° | 125.1° |
| C14 | N13 | N12 | 121.8° | 125.1° |
| C02 | C08 | C07 | 119.1° | 120.0° |
| C08 | C02 | C03 | 123.8° | 120.0° |
| C02 | C08 | H20 | 120.4° | 120.0° |
| C08 | C07 | C09 | 119.3° | 120.0° |
| C08 | C07 | C06 | 118.9° | 120.0° |
| C07 | C08 | H20 | 120.5° | 120.0° |
| C02 | C03 | C04 | 115.6° | 120.0° |
| C02 | C03 | H18 | 122.2° | 120.0° |
| C09 | N13 | N12 | 112.9° | 109.8° |
| N13 | C09 | C07 | 112.9° | 110.2° |
| N13 | C09 | C10 | 100.5° | 105.4° |
| N13 | C09 | H16 | 110.2° | 110.2° |
| N13 | N12 | C11 | 107.0° | 107.1° |
| N13 | N12 | H3 | 110.1° | 111.0° |
| C07 | C09 | C10 | 113.7° | 110.3° |
| C09 | C07 | C06 | 121.8° | 120.0° |
| C07 | C09 | H16 | 109.8° | 110.3° |
| C09 | C10 | C11 | 101.6° | 101.2° |
| C09 | C10 | H1 | 111.4° | 111.1° |
| C09 | C10 | H2 | 111.4° | 111.1° |
| C10 | C09 | H16 | 109.4° | 110.3° |
| C07 | C06 | C04 | 119.0° | 120.0° |
| C07 | C06 | H17 | 120.5° | 119.9° |
| C03 | C04 | C06 | 123.6° | 120.0° |
| C03 | C04 | F05 | 118.1° | 120.0° |
| C04 | C03 | H18 | 122.2° | 120.0° |
| N12 | C11 | C10 | 115.1° | 101.8° |
| C11 | N12 | H3 | 110.1° | 111.0° |
| N12 | C11 | H13 | 108.0° | 111.0° |
| N12 | C11 | H14 | 108.1° | 111.0° |
| C06 | C04 | F05 | 118.3° | 120.0° |
| C04 | C06 | H17 | 120.5° | 120.0° |
| C11 | C10 | H1 | 111.4° | 111.1° |
| C11 | C10 | H2 | 111.4° | 111.1° |
| C10 | C11 | H13 | 108.1° | 110.9° |
| C10 | C11 | H14 | 108.0° | 110.9° |
| H1 | C10 | H2 | 109.4° | 110.9° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N29 | C28 | C24 | N25 | 167.2° | 113.5° |
| N29 | C28 | C24 | C23 | 13.7° | 66.5° |
| C28 | C24 | N25 | C23 | 179.0° | 180.0° |
| C28 | C24 | N25 | C26 | 175.5° | 179.8° |
| C28 | C24 | C23 | C22 | 179.2° | 180.0° |
| C28 | C24 | C23 | H19 | 0.8° | 0.0° |
| C24 | N25 | C26 | N27 | 7.3° | 0.3° |
| N25 | C24 | C23 | C22 | 0.3° | 0.0° |
| C24 | N25 | C26 | H10 | 172.7° | 179.7° |
| N25 | C24 | C23 | H19 | 179.8° | 180.0° |
| C26 | N25 | C24 | C23 | 3.5° | 0.2° |
| N25 | C26 | N27 | H10 | 180.0° | 180.0° |
| N25 | C26 | N27 | C22 | 6.6° | 0.1° |
| C24 | C23 | C22 | H19 | 180.0° | 180.0° |
| C24 | C23 | C22 | N27 | 1.1° | 0.3° |
| C24 | C23 | C22 | N19 | 178.8° | 180.0° |
| C26 | N27 | C22 | C23 | 1.8° | 0.2° |
| C26 | N27 | C22 | N19 | 178.3° | 180.0° |
| C23 | C22 | N27 | N19 | 179.9° | 179.8° |
| C23 | C22 | N19 | C18 | 13.7° | 179.7° |
| C23 | C22 | N19 | C20 | 151.1° | 56.0° |
| N27 | C22 | N19 | C18 | 166.4° | 0.0° |
| N27 | C22 | N19 | C20 | 28.8° | 124.2° |
| C22 | N27 | C26 | H10 | 173.4° | 180.0° |
| N27 | C22 | C23 | H19 | 178.9° | 179.8° |
| C22 | N19 | C18 | C20 | 165.8° | 124.1° |
| C22 | N19 | C18 | C17 | 112.6° | 174.1° |
| C22 | N19 | C20 | C21 | 111.6° | 174.1° |
| C22 | N19 | C20 | H6 | 8.7° | 54.1° |
| C22 | N19 | C20 | H7 | 128.0° | 65.9° |
| C22 | N19 | C18 | H11 | 127.1° | 65.9° |
| C22 | N19 | C18 | H12 | 7.7° | 54.2° |
| N19 | C22 | C23 | H19 | 1.2° | 0.0° |
| N19 | C18 | C17 | H11 | 120.3° | 120.0° |
| N19 | C18 | C17 | H12 | 120.3° | 120.0° |
| N19 | C18 | C17 | C16 | 54.8° | 59.2° |
| C18 | N19 | C20 | C21 | 54.4° | 61.7° |
| N19 | C18 | C17 | H4 | 174.9° | 60.7° |
| N19 | C18 | C17 | H5 | 65.2° | 179.1° |
| C18 | N19 | C20 | H6 | 174.7° | 178.2° |
| C18 | N19 | C20 | H7 | 66.0° | 58.3° |
| N19 | C18 | H11 | H12 | 119.2° | 120.0° |
| C20 | N19 | C18 | C17 | 53.2° | 61.7° |
| N19 | C20 | C21 | H6 | 120.3° | 120.1° |
| N19 | C20 | C21 | H7 | 120.4° | 120.0° |
| N19 | C20 | C21 | C16 | 56.4° | 59.2° |
| N19 | C20 | H6 | H7 | 118.9° | 120.0° |
| N19 | C20 | C21 | H8 | 63.6° | 179.1° |
| N19 | C20 | C21 | H9 | 176.3° | 60.8° |
| C20 | N19 | C18 | H11 | 67.1° | 58.3° |
| C20 | N19 | C18 | H12 | 173.5° | 178.3° |
| C18 | C17 | C16 | H4 | 120.1° | 119.9° |
| C18 | C17 | C16 | H5 | 120.0° | 120.0° |
| C18 | C17 | C16 | C21 | 58.8° | 57.6° |
| C18 | C17 | C16 | C14 | 179.1° | 62.3° |
| C18 | C17 | H4 | H5 | 119.8° | 120.2° |
| C17 | C18 | H11 | H12 | 119.1° | 119.9° |
| C18 | C17 | C16 | H15 | 59.6° | 177.6° |
| C17 | C16 | C14 | O15 | 21.3° | 10.7° |
| C17 | C16 | C21 | C20 | 59.1° | 57.6° |
| C17 | C16 | C21 | C14 | 122.4° | 119.9° |
| C17 | C16 | C21 | H15 | 118.4° | 119.9° |
| C17 | C16 | C14 | H15 | 119.3° | 120.1° |
| C17 | C16 | C14 | N13 | 157.0° | 169.3° |
| C16 | C17 | H4 | H5 | 119.9° | 120.1° |
| C17 | C16 | C21 | H8 | 60.7° | 177.6° |
| C17 | C16 | C21 | H9 | 179.0° | 62.3° |
| C16 | C17 | C18 | H11 | 65.5° | 60.8° |
| C16 | C17 | C18 | H12 | 175.1° | 179.2° |
| O15 | C14 | C16 | C21 | 100.3° | 109.0° |
| O15 | C14 | C16 | N13 | 178.4° | 179.9° |
| O15 | C14 | N13 | C09 | 2.9° | 5.2° |
| O15 | C14 | N13 | N12 | 177.8° | 174.7° |
| O15 | C14 | C16 | H15 | 140.6° | 130.8° |
| C20 | C21 | C16 | H8 | 119.9° | 120.0° |
| C20 | C21 | C16 | H9 | 119.9° | 120.0° |
| C20 | C21 | C16 | C14 | 178.5° | 62.3° |
| C21 | C20 | H6 | H7 | 119.0° | 119.9° |
| C20 | C21 | H8 | H9 | 120.3° | 120.2° |
| C20 | C21 | C16 | H15 | 59.3° | 177.6° |
| C21 | C16 | C14 | H15 | 119.1° | 120.2° |
| C21 | C16 | C14 | N13 | 81.4° | 71.0° |
| C21 | C16 | C17 | H4 | 178.9° | 62.3° |
| C21 | C16 | C17 | H5 | 61.2° | 177.6° |
| C16 | C21 | C20 | H6 | 176.7° | 179.2° |
| C16 | C21 | C20 | H7 | 64.0° | 60.8° |
| C16 | C21 | H8 | H9 | 120.4° | 120.0° |
| F01 | C02 | C08 | C03 | 178.1° | 180.0° |
| F01 | C02 | C08 | C07 | 179.7° | 179.7° |
| F01 | C02 | C03 | C04 | 179.8° | 180.0° |
| F01 | C02 | C03 | H18 | 0.2° | 0.0° |
| F01 | C02 | C08 | H20 | 0.3° | 0.0° |
| C16 | C14 | N13 | C09 | 178.7° | 174.7° |
| C16 | C14 | N13 | N12 | 3.8° | 5.3° |
| C14 | C16 | C17 | H4 | 59.0° | 177.8° |
| C14 | C16 | C17 | H5 | 60.9° | 57.7° |
| C14 | C16 | C21 | H8 | 61.6° | 57.7° |
| C14 | C16 | C21 | H9 | 58.6° | 177.8° |
| C14 | N13 | C09 | N12 | 175.3° | 180.0° |
| C14 | N13 | C09 | C07 | 59.9° | 64.1° |
| C14 | N13 | C09 | C10 | 178.6° | 176.9° |
| C14 | N13 | N12 | C11 | 168.0° | 153.5° |
| C14 | N13 | N12 | H3 | 48.4° | 32.2° |
| N13 | C14 | C16 | H15 | 37.7° | 49.2° |
| C14 | N13 | C09 | H16 | 63.3° | 57.9° |
| C02 | C08 | C07 | H20 | 180.0° | 179.7° |
| C02 | C08 | C07 | C09 | 179.5° | 180.0° |
| C02 | C08 | C07 | C06 | 0.3° | 0.6° |
| C08 | C02 | C03 | C04 | 1.6° | 0.0° |
| C08 | C02 | C03 | H18 | 178.4° | 180.0° |
| C07 | C08 | C02 | C03 | 1.6° | 0.3° |
| C08 | C07 | C09 | N13 | 119.0° | 39.5° |
| C08 | C07 | C09 | C06 | 179.1° | 179.4° |
| C08 | C07 | C09 | C10 | 127.3° | 76.5° |
| C08 | C07 | C06 | C04 | 2.0° | 0.6° |
| C08 | C07 | C09 | H16 | 4.4° | 161.4° |
| C08 | C07 | C06 | H17 | 178.0° | 179.7° |
| C02 | C03 | C04 | H18 | 180.0° | 180.0° |
| C02 | C03 | C04 | C06 | 0.2° | 0.0° |
| C02 | C03 | C04 | F05 | 178.3° | 180.0° |
| C03 | C02 | C08 | H20 | 178.4° | 180.0° |
| N13 | C09 | C07 | C10 | 113.7° | 116.0° |
| N13 | C09 | C07 | H16 | 123.4° | 121.9° |
| N13 | C09 | C10 | H16 | 115.9° | 119.0° |
| N13 | C09 | C07 | C06 | 60.1° | 140.0° |
| C09 | N13 | N12 | C11 | 7.5° | 26.5° |
| N13 | C09 | C10 | C11 | 11.1° | 19.9° |
| N13 | C09 | C10 | H1 | 107.7° | 137.9° |
| N13 | C09 | C10 | H2 | 129.8° | 98.1° |
| C09 | N13 | N12 | H3 | 127.1° | 147.8° |
| N12 | N13 | C09 | C07 | 124.8° | 115.9° |
| N12 | N13 | C09 | C10 | 3.3° | 3.1° |
| N13 | N12 | C11 | H3 | 119.6° | 121.3° |
| N13 | N12 | C11 | C10 | 16.3° | 38.4° |
| N13 | N12 | C11 | H13 | 104.5° | 156.5° |
| N13 | N12 | C11 | H14 | 137.2° | 79.7° |
| N12 | N13 | C09 | H16 | 112.0° | 122.1° |
| C07 | C09 | C10 | H16 | 123.2° | 122.0° |
| C09 | C07 | C06 | C04 | 178.9° | 180.0° |
| C07 | C09 | C10 | C11 | 131.9° | 138.9° |
| C07 | C09 | C10 | H1 | 13.2° | 103.1° |
| C07 | C09 | C10 | H2 | 109.3° | 20.9° |
| C09 | C07 | C06 | H17 | 1.1° | 0.3° |
| C09 | C07 | C08 | H20 | 0.5° | 0.3° |
| C10 | C09 | C07 | C06 | 53.6° | 104.0° |
| C09 | C10 | C11 | N12 | 17.9° | 34.2° |
| C09 | C10 | C11 | H1 | 118.8° | 118.0° |
| C09 | C10 | C11 | H2 | 118.7° | 118.0° |
| C09 | C10 | H1 | H2 | 123.7° | 124.1° |
| C09 | C10 | C11 | H13 | 102.9° | 152.3° |
| C09 | C10 | C11 | H14 | 138.8° | 84.0° |
| C07 | C06 | C04 | C03 | 2.0° | 0.3° |
| C07 | C06 | C04 | H17 | 180.0° | 179.7° |
| C07 | C06 | C04 | F05 | 180.0° | 179.8° |
| C06 | C07 | C09 | H16 | 176.5° | 18.0° |
| C06 | C07 | C08 | H20 | 179.7° | 179.7° |
| C03 | C04 | C06 | F05 | 178.1° | 180.0° |
| C03 | C04 | C06 | H17 | 178.0° | 180.0° |
| N12 | C11 | C10 | H13 | 120.8° | 118.1° |
| N12 | C11 | C10 | H14 | 120.9° | 118.1° |
| N12 | C11 | C10 | H1 | 100.8° | 152.2° |
| N12 | C11 | C10 | H2 | 136.7° | 83.8° |
| N12 | C11 | H13 | H14 | 117.5° | 123.9° |
| C06 | C04 | C03 | H18 | 179.8° | 180.0° |
| F05 | C04 | C06 | H17 | 0.0° | 0.0° |
| F05 | C04 | C03 | H18 | 1.7° | 0.0° |
| C11 | C10 | H1 | H2 | 123.6° | 124.1° |
| C10 | C11 | N12 | H3 | 135.9° | 159.7° |
| C10 | C11 | H13 | H14 | 117.4° | 123.8° |
| C11 | C10 | C09 | H16 | 104.9° | 99.1° |
| H1 | C10 | C11 | H13 | 138.3° | 89.7° |
| H1 | C10 | C11 | H14 | 20.0° | 34.1° |
| H1 | C10 | C09 | H16 | 136.4° | 18.9° |
| H2 | C10 | C11 | H13 | 15.8° | 34.3° |
| H2 | C10 | C11 | H14 | 102.5° | 158.0° |
| H2 | C10 | C09 | H16 | 13.9° | 142.9° |
| H3 | N12 | C11 | H13 | 15.1° | 82.2° |
| H3 | N12 | C11 | H14 | 103.2° | 41.6° |
| H4 | C17 | C18 | H11 | 54.6° | 179.3° |
| H4 | C17 | C18 | H12 | 64.8° | 59.3° |
| H4 | C17 | C16 | H15 | 60.4° | 57.7° |
| H5 | C17 | C18 | H11 | 174.5° | 59.1° |
| H5 | C17 | C18 | H12 | 55.1° | 60.9° |
| H5 | C17 | C16 | H15 | 179.7° | 62.4° |
| H6 | C20 | C21 | H8 | 56.8° | 60.9° |
| H6 | C20 | C21 | H9 | 63.4° | 59.3° |
| H7 | C20 | C21 | H8 | 176.1° | 59.1° |
| H7 | C20 | C21 | H9 | 55.9° | 179.2° |
| H8 | C21 | C16 | H15 | 179.2° | 62.4° |
| H9 | C21 | C16 | H15 | 60.6° | 57.6° |
