G2W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C25 | doub | 1.38Å | 1.52Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.52Å | Aromatic |
| C25 | C23 | sing | 1.39Å | 1.53Å | Aromatic |
| C28 | C26 | doub | 1.40Å | 1.52Å | Aromatic |
| C20 | C15 | sing | 1.51Å | 1.53Å | |
| C11 | C09 | sing | 1.54Å | 1.48Å | |
| C11 | N04 | sing | 1.47Å | 1.47Å | |
| O02 | C09 | sing | 1.43Å | 1.38Å | |
| O02 | C13 | sing | 1.36Å | 1.39Å | |
| C15 | C13 | doub | 1.39Å | 1.51Å | Aromatic |
| C15 | C19 | sing | 1.38Å | 1.52Å | Aromatic |
| C23 | N07 | sing | 1.40Å | 1.45Å | |
| C23 | C24 | doub | 1.39Å | 1.53Å | Aromatic |
| C26 | C24 | sing | 1.39Å | 1.53Å | Aromatic |
| C26 | C29 | sing | 1.48Å | 1.53Å | |
| N08 | C30 | sing | 1.46Å | 1.45Å | |
| N08 | C29 | sing | 1.35Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.46Å | |
| C13 | C16 | sing | 1.39Å | 1.52Å | Aromatic |
| C19 | C22 | doub | 1.39Å | 1.52Å | Aromatic |
| N04 | C12 | sing | 1.39Å | 1.44Å | |
| N04 | C10 | sing | 1.47Å | 1.49Å | |
| N05 | C12 | doub | 1.33Å | 1.44Å | Aromatic |
| N05 | C17 | sing | 1.32Å | 1.47Å | Aromatic |
| N07 | C17 | sing | 1.39Å | 1.45Å | |
| C12 | C14 | sing | 1.40Å | 1.48Å | Aromatic |
| C17 | N06 | doub | 1.32Å | 1.48Å | Aromatic |
| C29 | O03 | doub | 1.22Å | 1.18Å | |
| C14 | C18 | doub | 1.38Å | 1.49Å | Aromatic |
| N06 | C18 | sing | 1.33Å | 1.45Å | Aromatic |
| C16 | C21 | doub | 1.38Å | 1.52Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.52Å | Aromatic |
| C22 | F01 | sing | 1.35Å | 1.35Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| N07 | H9 | sing | 0.97Å | 1.00Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C27 | C28 | 120.1° | 120.3° |
| C27 | C25 | C23 | 120.3° | 120.2° |
| C27 | C25 | H18 | 119.8° | 119.9° |
| C25 | C27 | H19 | 120.0° | 119.9° |
| C27 | C28 | C26 | 120.2° | 120.0° |
| C27 | C28 | H8 | 119.9° | 120.0° |
| C28 | C27 | H19 | 120.0° | 119.8° |
| C25 | C23 | N07 | 118.6° | 120.0° |
| C25 | C23 | C24 | 119.7° | 120.0° |
| C23 | C25 | H18 | 119.9° | 119.9° |
| C28 | C26 | C24 | 119.8° | 119.8° |
| C28 | C26 | C29 | 119.2° | 120.1° |
| C26 | C28 | H8 | 119.9° | 120.0° |
| C20 | C15 | C13 | 120.5° | 120.0° |
| C20 | C15 | C19 | 120.3° | 120.0° |
| C15 | C20 | H3 | 109.5° | 109.4° |
| C15 | C20 | H4 | 109.5° | 109.4° |
| C15 | C20 | H5 | 109.5° | 109.5° |
| C09 | C11 | N04 | 87.5° | 87.9° |
| C11 | C09 | O02 | 111.1° | 114.2° |
| C11 | C09 | C10 | 88.4° | 83.5° |
| C11 | C09 | H11 | 113.3° | 114.4° |
| C09 | C11 | H12 | 114.7° | 113.5° |
| C09 | C11 | H13 | 114.7° | 113.5° |
| C11 | N04 | C12 | 133.1° | 111.0° |
| C11 | N04 | C10 | 87.5° | 87.8° |
| N04 | C11 | H12 | 114.6° | 113.4° |
| N04 | C11 | H13 | 114.7° | 113.5° |
| C09 | O02 | C13 | 108.3° | 117.0° |
| O02 | C09 | C10 | 112.4° | 114.1° |
| O02 | C09 | H11 | 115.1° | 113.3° |
| O02 | C13 | C15 | 119.9° | 120.0° |
| O02 | C13 | C16 | 119.4° | 120.1° |
| C13 | C15 | C19 | 119.2° | 120.0° |
| C15 | C13 | C16 | 120.6° | 119.9° |
| C15 | C19 | C22 | 120.2° | 120.0° |
| C15 | C19 | H17 | 119.9° | 120.1° |
| N07 | C23 | C24 | 121.7° | 120.0° |
| C23 | N07 | C17 | 125.5° | 120.0° |
| C23 | N07 | H9 | 117.2° | 120.0° |
| C23 | C24 | C26 | 120.0° | 119.8° |
| C23 | C24 | H7 | 120.0° | 120.1° |
| C24 | C26 | C29 | 121.1° | 120.1° |
| C26 | C24 | H7 | 120.0° | 120.1° |
| C26 | C29 | N08 | 120.2° | 120.0° |
| C26 | C29 | O03 | 119.9° | 120.0° |
| C30 | N08 | C29 | 121.1° | 120.0° |
| C30 | N08 | H10 | 119.4° | 120.0° |
| N08 | C30 | H20 | 109.5° | 109.5° |
| N08 | C30 | H21 | 109.5° | 109.4° |
| N08 | C30 | H22 | 109.4° | 109.5° |
| N08 | C29 | O03 | 119.9° | 120.0° |
| C29 | N08 | H10 | 119.5° | 120.0° |
| C09 | C10 | N04 | 87.5° | 88.0° |
| C09 | C10 | H1 | 114.7° | 113.5° |
| C09 | C10 | H2 | 114.6° | 113.5° |
| C10 | C09 | H11 | 113.6° | 114.2° |
| C13 | C16 | C21 | 120.4° | 120.0° |
| C13 | C16 | H15 | 119.8° | 120.0° |
| C19 | C22 | C21 | 120.8° | 120.0° |
| C19 | C22 | F01 | 119.5° | 120.0° |
| C22 | C19 | H17 | 119.9° | 119.9° |
| C12 | N04 | C10 | 131.1° | 111.0° |
| N04 | C12 | N05 | 118.3° | 120.5° |
| N04 | C12 | C14 | 120.3° | 120.5° |
| N04 | C10 | H1 | 114.7° | 113.4° |
| N04 | C10 | H2 | 114.6° | 113.4° |
| C12 | N05 | C17 | 120.2° | 120.6° |
| N05 | C12 | C14 | 121.3° | 119.0° |
| N05 | C17 | N07 | 121.3° | 119.2° |
| N05 | C17 | N06 | 119.1° | 121.7° |
| N07 | C17 | N06 | 119.6° | 119.1° |
| C17 | N07 | H9 | 117.2° | 120.0° |
| C12 | C14 | C18 | 118.4° | 118.5° |
| C12 | C14 | H14 | 120.8° | 120.8° |
| C17 | N06 | C18 | 120.9° | 120.9° |
| C14 | C18 | N06 | 119.9° | 119.3° |
| C18 | C14 | H14 | 120.8° | 120.8° |
| C14 | C18 | H16 | 120.0° | 120.3° |
| N06 | C18 | H16 | 120.0° | 120.3° |
| C16 | C21 | C22 | 118.8° | 120.0° |
| C16 | C21 | H6 | 120.6° | 120.0° |
| C21 | C16 | H15 | 119.8° | 120.0° |
| C21 | C22 | F01 | 119.7° | 120.0° |
| C22 | C21 | H6 | 120.7° | 120.0° |
| H1 | C10 | H2 | 109.5° | 112.8° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H3 | C20 | H5 | 109.4° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 112.8° |
| H20 | C30 | H21 | 109.4° | 109.5° |
| H20 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C27 | C28 | H19 | 180.0° | 179.7° |
| C27 | C25 | C23 | H18 | 180.0° | 179.9° |
| C25 | C27 | C28 | C26 | 0.3° | 0.3° |
| C27 | C25 | C23 | N07 | 179.3° | 179.9° |
| C27 | C25 | C23 | C24 | 0.8° | 0.1° |
| C25 | C27 | C28 | H8 | 179.7° | 179.7° |
| C28 | C27 | C25 | C23 | 0.1° | 0.3° |
| C27 | C28 | C26 | H8 | 180.0° | 180.0° |
| C27 | C28 | C26 | C24 | 0.1° | 0.0° |
| C27 | C28 | C26 | C29 | 179.5° | 180.0° |
| C28 | C27 | C25 | H18 | 179.9° | 179.7° |
| C25 | C23 | N07 | C24 | 178.5° | 180.0° |
| C25 | C23 | C24 | C26 | 1.0° | 0.2° |
| C25 | C23 | N07 | C17 | 102.7° | 144.9° |
| C25 | C23 | C24 | H7 | 179.0° | 180.0° |
| C25 | C23 | N07 | H9 | 77.3° | 35.1° |
| C23 | C25 | C27 | H19 | 179.9° | 180.0° |
| C28 | C26 | C24 | C23 | 0.6° | 0.3° |
| C28 | C26 | C24 | C29 | 179.6° | 180.0° |
| C28 | C26 | C29 | N08 | 1.7° | 0.1° |
| C28 | C26 | C29 | O03 | 177.9° | 179.9° |
| C28 | C26 | C24 | H7 | 179.4° | 180.0° |
| C26 | C28 | C27 | H19 | 179.7° | 180.0° |
| C20 | C15 | C13 | O02 | 0.3° | 0.3° |
| C20 | C15 | C13 | C19 | 179.7° | 180.0° |
| C20 | C15 | C13 | C16 | 179.9° | 180.0° |
| C20 | C15 | C19 | C22 | 179.9° | 180.0° |
| C15 | C20 | H3 | H4 | 120.0° | 120.0° |
| C15 | C20 | H3 | H5 | 120.0° | 120.0° |
| C15 | C20 | H4 | H5 | 120.0° | 120.0° |
| C20 | C15 | C19 | H17 | 0.1° | 0.0° |
| C09 | C11 | N04 | H12 | 116.1° | 114.8° |
| C09 | C11 | N04 | H13 | 116.1° | 114.8° |
| C11 | C09 | O02 | C10 | 97.3° | 93.8° |
| C11 | C09 | O02 | H11 | 130.5° | 133.2° |
| C11 | C09 | O02 | C13 | 166.2° | 108.0° |
| C11 | C09 | C10 | H11 | 114.8° | 113.8° |
| C09 | C11 | N04 | C12 | 127.1° | 138.7° |
| C09 | C11 | N04 | C10 | 22.3° | 27.0° |
| C11 | C09 | C10 | H1 | 138.5° | 140.7° |
| C11 | C09 | C10 | H2 | 93.5° | 88.8° |
| C09 | C11 | H12 | H13 | 130.5° | 130.8° |
| N04 | C11 | C09 | O02 | 90.6° | 139.6° |
| C11 | N04 | C12 | C10 | 137.5° | 96.0° |
| C11 | N04 | C12 | N05 | 82.5° | 96.0° |
| C11 | N04 | C12 | C14 | 98.6° | 84.0° |
| C11 | N04 | C10 | H1 | 138.7° | 141.8° |
| C11 | N04 | C10 | H2 | 93.4° | 87.9° |
| N04 | C11 | C09 | H11 | 137.9° | 87.7° |
| N04 | C11 | H12 | H13 | 130.5° | 130.8° |
| C09 | O02 | C13 | C15 | 55.5° | 173.6° |
| O02 | C09 | C10 | H11 | 132.9° | 132.5° |
| C09 | O02 | C13 | C16 | 124.3° | 6.1° |
| O02 | C09 | C10 | N04 | 89.8° | 139.6° |
| O02 | C09 | C10 | H1 | 26.3° | 105.6° |
| O02 | C09 | C10 | H2 | 154.2° | 24.8° |
| O02 | C09 | C11 | H12 | 153.3° | 24.9° |
| O02 | C09 | C11 | H13 | 25.4° | 105.6° |
| O02 | C13 | C15 | C16 | 179.8° | 179.7° |
| O02 | C13 | C15 | C19 | 179.9° | 179.7° |
| C13 | O02 | C09 | C10 | 96.5° | 158.3° |
| O02 | C13 | C16 | C21 | 179.9° | 179.7° |
| C13 | O02 | C09 | H11 | 35.7° | 25.3° |
| O02 | C13 | C16 | H15 | 0.0° | 0.3° |
| C13 | C15 | C19 | C22 | 0.2° | 0.0° |
| C15 | C13 | C16 | C21 | 0.2° | 0.0° |
| C13 | C15 | C20 | H3 | 90.1° | 90.0° |
| C13 | C15 | C20 | H4 | 149.9° | 150.0° |
| C13 | C15 | C20 | H5 | 29.8° | 30.0° |
| C15 | C13 | C16 | H15 | 179.8° | 180.0° |
| C13 | C15 | C19 | H17 | 179.9° | 180.0° |
| C19 | C15 | C13 | C16 | 0.2° | 0.0° |
| C15 | C19 | C22 | H17 | 180.0° | 180.0° |
| C15 | C19 | C22 | C21 | 0.2° | 0.0° |
| C15 | C19 | C22 | F01 | 179.7° | 180.0° |
| C19 | C15 | C20 | H3 | 90.1° | 90.0° |
| C19 | C15 | C20 | H4 | 29.9° | 30.0° |
| C19 | C15 | C20 | H5 | 149.9° | 150.0° |
| N07 | C23 | C24 | C26 | 179.5° | 179.8° |
| C23 | N07 | C17 | N05 | 24.8° | 174.6° |
| C23 | N07 | C17 | H9 | 180.0° | 179.9° |
| C23 | N07 | C17 | N06 | 156.1° | 5.7° |
| N07 | C23 | C24 | H7 | 0.5° | 0.0° |
| N07 | C23 | C25 | H18 | 0.7° | 0.0° |
| C23 | C24 | C26 | H7 | 180.0° | 179.8° |
| C23 | C24 | C26 | C29 | 179.9° | 179.8° |
| C24 | C23 | N07 | C17 | 78.8° | 35.0° |
| C24 | C23 | N07 | H9 | 101.2° | 144.9° |
| C24 | C23 | C25 | H18 | 179.2° | 180.0° |
| C24 | C26 | C29 | N08 | 178.8° | 180.0° |
| C24 | C26 | C29 | O03 | 1.7° | 0.0° |
| C24 | C26 | C28 | H8 | 179.9° | 180.0° |
| C26 | C29 | N08 | C30 | 179.9° | 180.0° |
| C26 | C29 | N08 | O03 | 179.5° | 180.0° |
| C29 | C26 | C24 | H7 | 0.1° | 0.0° |
| C29 | C26 | C28 | H8 | 0.6° | 0.0° |
| C26 | C29 | N08 | H10 | 0.1° | 0.0° |
| C30 | N08 | C29 | H10 | 180.0° | 180.0° |
| C30 | N08 | C29 | O03 | 0.6° | 0.0° |
| N08 | C30 | H20 | H21 | 120.0° | 120.0° |
| N08 | C30 | H20 | H22 | 120.0° | 120.0° |
| N08 | C30 | H21 | H22 | 120.0° | 120.0° |
| C29 | N08 | C30 | H20 | 180.0° | 60.0° |
| C29 | N08 | C30 | H21 | 60.0° | 60.0° |
| C29 | N08 | C30 | H22 | 60.0° | 180.0° |
| C09 | C10 | N04 | C12 | 127.8° | 138.7° |
| C09 | C10 | N04 | H1 | 116.1° | 114.8° |
| C09 | C10 | N04 | H2 | 116.0° | 114.9° |
| C09 | C10 | H1 | H2 | 130.5° | 130.9° |
| C10 | C09 | C11 | H12 | 93.2° | 88.7° |
| C10 | C09 | C11 | H13 | 138.8° | 140.8° |
| C13 | C16 | C21 | H15 | 180.0° | 180.0° |
| C13 | C16 | C21 | C22 | 0.2° | 0.0° |
| C13 | C16 | C21 | H6 | 179.8° | 180.0° |
| C19 | C22 | C21 | C16 | 0.2° | 0.0° |
| C19 | C22 | C21 | F01 | 179.5° | 179.9° |
| C19 | C22 | C21 | H6 | 179.8° | 180.0° |
| N04 | C12 | N05 | C14 | 178.8° | 180.0° |
| N04 | C12 | N05 | C17 | 179.7° | 180.0° |
| N04 | C12 | C14 | C18 | 179.3° | 180.0° |
| C12 | N04 | C10 | H1 | 11.7° | 106.5° |
| C12 | N04 | C10 | H2 | 116.2° | 23.9° |
| C12 | N04 | C11 | H12 | 116.9° | 23.9° |
| C12 | N04 | C11 | H13 | 11.0° | 106.5° |
| N04 | C12 | C14 | H14 | 0.7° | 0.0° |
| C10 | N04 | C12 | N05 | 55.0° | 0.0° |
| C10 | N04 | C12 | C14 | 123.8° | 180.0° |
| N04 | C10 | H1 | H2 | 130.5° | 130.7° |
| N04 | C10 | C09 | H11 | 137.3° | 87.8° |
| C10 | N04 | C11 | H12 | 93.8° | 87.8° |
| C10 | N04 | C11 | H13 | 138.4° | 141.7° |
| C12 | N05 | C17 | N07 | 179.7° | 179.7° |
| C12 | N05 | C17 | N06 | 0.7° | 0.0° |
| N05 | C12 | C14 | C18 | 0.5° | 0.0° |
| N05 | C12 | C14 | H14 | 179.5° | 180.0° |
| N05 | C17 | N07 | N06 | 179.1° | 179.7° |
| C17 | N05 | C12 | C14 | 0.8° | 0.0° |
| N05 | C17 | N06 | C18 | 0.2° | 0.0° |
| N05 | C17 | N07 | H9 | 155.1° | 5.3° |
| N07 | C17 | N06 | C18 | 179.3° | 179.7° |
| C12 | C14 | C18 | H14 | 180.0° | 180.0° |
| C12 | C14 | C18 | N06 | 0.0° | 0.0° |
| C12 | C14 | C18 | H16 | 180.0° | 180.0° |
| C17 | N06 | C18 | C14 | 0.2° | 0.0° |
| N06 | C17 | N07 | H9 | 23.9° | 174.3° |
| C17 | N06 | C18 | H16 | 179.8° | 180.0° |
| O03 | C29 | N08 | H10 | 179.4° | 180.0° |
| C14 | C18 | N06 | H16 | 180.0° | 180.0° |
| N06 | C18 | C14 | H14 | 180.0° | 180.0° |
| C16 | C21 | C22 | H6 | 180.0° | 180.0° |
| C16 | C21 | C22 | F01 | 179.7° | 180.0° |
| C22 | C21 | C16 | H15 | 179.8° | 180.0° |
| C21 | C22 | C19 | H17 | 179.8° | 179.9° |
| F01 | C22 | C21 | H6 | 0.3° | 0.1° |
| F01 | C22 | C19 | H17 | 0.4° | 0.0° |
| H1 | C10 | C09 | H11 | 106.6° | 26.9° |
| H2 | C10 | C09 | H11 | 21.3° | 157.4° |
| H3 | C20 | H4 | H5 | 119.9° | 120.1° |
| H6 | C21 | C16 | H15 | 0.2° | 0.0° |
| H8 | C28 | C27 | H19 | 0.3° | 0.0° |
| H10 | N08 | C30 | H20 | 0.0° | 120.0° |
| H10 | N08 | C30 | H21 | 120.0° | 120.0° |
| H10 | N08 | C30 | H22 | 120.0° | 0.0° |
| H11 | C09 | C11 | H12 | 21.9° | 157.6° |
| H11 | C09 | C11 | H13 | 106.0° | 27.1° |
| H14 | C14 | C18 | H16 | 0.0° | 0.0° |
| H18 | C25 | C27 | H19 | 0.1° | 0.1° |
| H20 | C30 | H21 | H22 | 120.0° | 120.0° |
