GIG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C2 | sing | 1.49Å | 1.52Å | |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | N12 | sing | 1.41Å | 1.40Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | F11 | sing | 1.34Å | 1.33Å | |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| N12 | C13 | sing | 1.40Å | 1.39Å | |
| N12 | HN12 | sing | 1.02Å | 1.00Å | |
| C13 | N15 | sing | 1.42Å | 1.40Å | |
| C13 | O14 | doub | 1.23Å | 1.27Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C21 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C36 | O35 | sing | 1.43Å | 1.44Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| O35 | C33 | sing | 1.37Å | 1.35Å | |
| C33 | N32 | sing | 1.41Å | 1.35Å | |
| C33 | O34 | doub | 1.23Å | 1.26Å | |
| N32 | C27 | sing | 1.37Å | 1.41Å | |
| N32 | HN32 | sing | 1.04Å | 1.00Å | |
| C27 | N28 | sing | 1.37Å | 1.34Å | Aromatic |
| C27 | N26 | doub | 1.31Å | 1.41Å | Aromatic |
| N28 | C29 | sing | 1.37Å | 1.38Å | Aromatic |
| N28 | HN28 | sing | 1.01Å | 1.00Å | |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | C25 | doub | 1.39Å | 1.44Å | Aromatic |
| C30 | C31 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 1.08Å | |
| C23 | O22 | sing | 1.36Å | 1.37Å | |
| O22 | C19 | sing | 1.38Å | 1.39Å | |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.40Å | |
| N15 | HN15 | sing | 1.03Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.08Å | |
| C2 | F1 | sing | 1.36Å | 1.35Å | |
| C2 | F3 | sing | 1.37Å | 1.36Å | |
| C2 | F4 | sing | 1.37Å | 1.35Å | |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C25 | N26 | sing | 1.38Å | 1.38Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C10 | 121.4° | 120.0° |
| C6 | C5 | C2 | 118.5° | 120.0° |
| C5 | C6 | C7 | 120.0° | 119.3° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| C10 | C5 | C2 | 120.0° | 120.0° |
| C5 | C10 | C9 | 120.0° | 120.0° |
| C5 | C10 | H10 | 120.0° | 120.5° |
| C5 | C2 | F1 | 116.7° | 112.7° |
| C5 | C2 | F3 | 113.9° | 113.6° |
| C5 | C2 | F4 | 113.6° | 113.6° |
| C7 | C6 | H6 | 120.0° | 120.8° |
| C6 | C7 | N12 | 123.0° | 119.2° |
| C6 | C7 | C8 | 118.3° | 121.4° |
| N12 | C7 | C8 | 118.7° | 119.4° |
| C7 | N12 | C13 | 125.5° | 128.0° |
| C7 | N12 | HN12 | 117.3° | 115.6° |
| C7 | C8 | F11 | 118.8° | 121.2° |
| C7 | C8 | C9 | 121.2° | 119.3° |
| F11 | C8 | C9 | 120.0° | 119.5° |
| C8 | C9 | C10 | 119.0° | 120.0° |
| C8 | C9 | H9 | 120.5° | 120.0° |
| C9 | C10 | H10 | 120.0° | 119.5° |
| C10 | C9 | H9 | 120.5° | 120.0° |
| C13 | N12 | HN12 | 117.3° | 116.4° |
| N12 | C13 | N15 | 110.7° | 110.0° |
| N12 | C13 | O14 | 121.6° | 125.3° |
| N15 | C13 | O14 | 122.6° | 124.7° |
| C13 | N15 | C16 | 126.0° | 128.6° |
| C13 | N15 | HN15 | 117.0° | 115.7° |
| C18 | C17 | C16 | 121.3° | 120.0° |
| C18 | C17 | H17 | 119.4° | 119.4° |
| C17 | C18 | C19 | 118.7° | 119.2° |
| C17 | C18 | H18 | 120.6° | 119.6° |
| C16 | C17 | H17 | 119.4° | 120.6° |
| C17 | C16 | C21 | 119.2° | 120.0° |
| C17 | C16 | N15 | 118.8° | 120.1° |
| C19 | C20 | C21 | 119.5° | 119.2° |
| C19 | C20 | H20 | 120.3° | 121.2° |
| C20 | C19 | O22 | 120.7° | 119.2° |
| C20 | C19 | C18 | 121.5° | 121.6° |
| C21 | C20 | H20 | 120.2° | 119.6° |
| C20 | C21 | C16 | 119.8° | 119.9° |
| C20 | C21 | H21 | 120.1° | 119.4° |
| C16 | C21 | H21 | 120.1° | 120.7° |
| C21 | C16 | N15 | 121.9° | 119.9° |
| C23 | C24 | C25 | 115.6° | 118.4° |
| C23 | C24 | H24 | 122.2° | 120.9° |
| C24 | C23 | C31 | 123.7° | 121.1° |
| C24 | C23 | O22 | 114.9° | 119.4° |
| C25 | C24 | H24 | 122.2° | 120.7° |
| C24 | C25 | C29 | 121.8° | 119.2° |
| C24 | C25 | N26 | 131.6° | 130.0° |
| O35 | C36 | H361 | 109.5° | 109.5° |
| O35 | C36 | H362 | 109.5° | 109.5° |
| O35 | C36 | H363 | 109.5° | 109.0° |
| C36 | O35 | C33 | 116.7° | 116.1° |
| H361 | C36 | H362 | 109.5° | 110.1° |
| H361 | C36 | H363 | 109.5° | 109.4° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| O35 | C33 | N32 | 110.5° | 110.1° |
| O35 | C33 | O34 | 117.9° | 123.5° |
| N32 | C33 | O34 | 126.5° | 126.4° |
| C33 | N32 | C27 | 122.2° | 129.4° |
| C33 | N32 | HN32 | 118.9° | 115.3° |
| C27 | N32 | HN32 | 118.9° | 115.3° |
| N32 | C27 | N28 | 124.7° | 120.4° |
| N32 | C27 | N26 | 121.4° | 127.7° |
| N28 | C27 | N26 | 113.8° | 112.0° |
| C27 | N28 | C29 | 104.9° | 107.8° |
| C27 | N28 | HN28 | 127.6° | 126.1° |
| C27 | N26 | C25 | 104.8° | 105.0° |
| C29 | N28 | HN28 | 127.5° | 126.2° |
| N28 | C29 | C30 | 128.9° | 132.3° |
| N28 | C29 | C25 | 109.9° | 104.4° |
| C30 | C29 | C25 | 121.2° | 123.4° |
| C29 | C30 | C31 | 116.7° | 116.7° |
| C29 | C30 | H30 | 121.7° | 121.9° |
| C29 | C25 | N26 | 106.6° | 110.9° |
| C31 | C30 | H30 | 121.7° | 121.4° |
| C30 | C31 | C23 | 121.0° | 121.3° |
| C30 | C31 | H31 | 119.5° | 119.0° |
| C23 | C31 | H31 | 119.5° | 119.7° |
| C31 | C23 | O22 | 121.4° | 119.6° |
| C23 | O22 | C19 | 122.3° | 117.6° |
| O22 | C19 | C18 | 117.8° | 119.2° |
| C19 | C18 | H18 | 120.7° | 121.2° |
| C16 | N15 | HN15 | 117.0° | 115.7° |
| F1 | C2 | F3 | 107.6° | 105.5° |
| F1 | C2 | F4 | 102.1° | 105.6° |
| F3 | C2 | F4 | 101.3° | 105.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C10 | C2 | 178.2° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | N12 | 179.2° | 179.9° |
| C5 | C6 | C7 | C8 | 1.2° | 0.0° |
| C6 | C5 | C10 | C9 | 0.4° | 0.0° |
| C6 | C5 | C10 | H10 | 179.6° | 180.0° |
| C6 | C5 | C2 | F1 | 68.8° | 60.1° |
| C6 | C5 | C2 | F3 | 164.8° | 180.0° |
| C6 | C5 | C2 | F4 | 49.6° | 59.9° |
| C10 | C5 | C6 | C7 | 0.0° | 0.0° |
| C10 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C10 | C9 | C8 | 0.5° | 0.0° |
| C5 | C10 | C9 | H10 | 180.0° | 180.0° |
| C5 | C10 | C9 | H9 | 179.5° | 179.9° |
| C10 | C5 | C2 | F1 | 112.9° | 119.9° |
| C10 | C5 | C2 | F3 | 13.4° | 0.0° |
| C10 | C5 | C2 | F4 | 128.7° | 120.1° |
| C2 | C5 | C6 | C7 | 178.2° | 180.0° |
| C2 | C5 | C6 | H6 | 1.7° | 0.0° |
| C2 | C5 | C10 | C9 | 178.6° | 180.0° |
| C2 | C5 | C10 | H10 | 1.4° | 0.0° |
| C5 | C2 | F1 | F3 | 129.4° | 124.5° |
| C5 | C2 | F1 | F4 | 124.4° | 124.5° |
| C5 | C2 | F3 | F4 | 122.3° | 124.8° |
| C6 | C7 | N12 | C8 | 178.0° | 179.9° |
| C6 | C7 | C8 | F11 | 179.3° | 180.0° |
| C6 | C7 | C8 | C9 | 2.1° | 0.0° |
| C6 | C7 | N12 | C13 | 25.6° | 0.0° |
| C6 | C7 | N12 | HN12 | 154.4° | 180.0° |
| H6 | C6 | C7 | N12 | 0.8° | 0.1° |
| H6 | C6 | C7 | C8 | 178.8° | 180.0° |
| N12 | C7 | C8 | F11 | 1.2° | 0.1° |
| N12 | C7 | C8 | C9 | 179.8° | 180.0° |
| C7 | N12 | C13 | HN12 | 180.0° | 179.9° |
| C7 | N12 | C13 | N15 | 176.8° | 180.0° |
| C7 | N12 | C13 | O14 | 21.5° | 0.0° |
| C7 | C8 | F11 | C9 | 178.6° | 180.0° |
| C7 | C8 | C9 | C10 | 1.8° | 0.0° |
| C8 | C7 | N12 | C13 | 156.4° | 179.9° |
| C8 | C7 | N12 | HN12 | 23.6° | 0.0° |
| C7 | C8 | C9 | H9 | 178.2° | 179.9° |
| F11 | C8 | C9 | C10 | 179.6° | 180.0° |
| F11 | C8 | C9 | H9 | 0.4° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| H10 | C10 | C9 | H9 | 0.5° | 0.1° |
| N12 | C13 | N15 | O14 | 155.0° | 179.9° |
| N12 | C13 | N15 | C16 | 170.9° | 180.0° |
| N12 | C13 | N15 | HN15 | 9.0° | 0.1° |
| HN12 | N12 | C13 | N15 | 3.2° | 0.0° |
| HN12 | N12 | C13 | O14 | 158.5° | 179.9° |
| C13 | N15 | C16 | C17 | 174.9° | 180.0° |
| C13 | N15 | C16 | C21 | 6.1° | 0.1° |
| C13 | N15 | C16 | HN15 | 180.0° | 179.9° |
| O14 | C13 | N15 | C16 | 34.1° | 0.1° |
| O14 | C13 | N15 | HN15 | 146.0° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 1.9° | 0.1° |
| C18 | C17 | C16 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | O22 | 179.9° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | N15 | 179.2° | 179.9° |
| C17 | C16 | C21 | C20 | 0.6° | 0.0° |
| C17 | C16 | C21 | N15 | 179.0° | 179.9° |
| C17 | C16 | C21 | H21 | 179.4° | 179.9° |
| C16 | C17 | C18 | C19 | 0.5° | 0.0° |
| C17 | C16 | N15 | HN15 | 5.1° | 0.1° |
| C16 | C17 | C18 | H18 | 179.5° | 180.0° |
| H17 | C17 | C16 | C21 | 179.8° | 180.0° |
| H17 | C17 | C18 | C19 | 179.5° | 179.9° |
| H17 | C17 | C16 | N15 | 0.8° | 0.0° |
| H17 | C17 | C18 | H18 | 0.5° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C16 | 2.0° | 0.1° |
| C19 | C20 | C21 | H21 | 178.0° | 179.9° |
| C20 | C19 | O22 | C23 | 50.1° | 45.1° |
| C20 | C19 | O22 | C18 | 178.2° | 179.8° |
| C20 | C19 | C18 | H18 | 178.1° | 179.9° |
| C20 | C21 | C16 | H21 | 180.0° | 179.9° |
| C21 | C20 | C19 | O22 | 179.1° | 179.9° |
| C21 | C20 | C19 | C18 | 2.7° | 0.1° |
| C20 | C21 | C16 | N15 | 178.4° | 179.9° |
| H20 | C20 | C21 | C16 | 178.0° | 179.9° |
| H20 | C20 | C21 | H21 | 2.0° | 0.0° |
| H20 | C20 | C19 | O22 | 0.8° | 0.2° |
| H20 | C20 | C19 | C18 | 177.3° | 179.9° |
| C21 | C16 | N15 | HN15 | 173.9° | 180.0° |
| H21 | C21 | C16 | N15 | 1.6° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C29 | 0.9° | 0.0° |
| C24 | C23 | C31 | C30 | 0.9° | 0.0° |
| C24 | C23 | C31 | O22 | 179.7° | 180.0° |
| C24 | C23 | C31 | H31 | 179.1° | 180.0° |
| C24 | C23 | O22 | C19 | 147.1° | 45.0° |
| C23 | C24 | C25 | N26 | 179.9° | 180.0° |
| C24 | C25 | N26 | C27 | 179.9° | 180.0° |
| C24 | C25 | C29 | N28 | 179.2° | 180.0° |
| C24 | C25 | C29 | C30 | 1.1° | 0.0° |
| C24 | C25 | C29 | N26 | 179.4° | 180.0° |
| C25 | C24 | C23 | C31 | 0.8° | 0.0° |
| C25 | C24 | C23 | O22 | 179.5° | 180.0° |
| H24 | C24 | C25 | C29 | 179.1° | 180.0° |
| H24 | C24 | C23 | C31 | 179.2° | 180.0° |
| H24 | C24 | C23 | O22 | 0.5° | 0.0° |
| H24 | C24 | C25 | N26 | 0.1° | 0.0° |
| O35 | C36 | H361 | H362 | 120.0° | 120.4° |
| O35 | C36 | H361 | H363 | 120.0° | 119.4° |
| O35 | C36 | H362 | H363 | 120.0° | 119.4° |
| C36 | O35 | C33 | N32 | 177.9° | 180.0° |
| C36 | O35 | C33 | O34 | 25.8° | 0.0° |
| H361 | C36 | H362 | H363 | 120.0° | 120.2° |
| H361 | C36 | O35 | C33 | 132.4° | 79.5° |
| H362 | C36 | O35 | C33 | 12.4° | 159.7° |
| H363 | C36 | O35 | C33 | 107.6° | 40.1° |
| O35 | C33 | N32 | O34 | 153.8° | 180.0° |
| O35 | C33 | N32 | C27 | 178.6° | 179.9° |
| O35 | C33 | N32 | HN32 | 1.4° | 0.0° |
| C33 | N32 | C27 | HN32 | 180.0° | 180.0° |
| C33 | N32 | C27 | N28 | 178.4° | 0.1° |
| C33 | N32 | C27 | N26 | 4.5° | 179.9° |
| O34 | C33 | N32 | C27 | 24.9° | 0.0° |
| O34 | C33 | N32 | HN32 | 155.1° | 180.0° |
| N32 | C27 | N28 | N26 | 177.3° | 179.8° |
| N32 | C27 | N28 | C29 | 178.7° | 179.9° |
| N32 | C27 | N28 | HN28 | 1.3° | 0.2° |
| N32 | C27 | N26 | C25 | 178.7° | 179.9° |
| HN32 | N32 | C27 | N28 | 1.6° | 179.9° |
| HN32 | N32 | C27 | N26 | 175.5° | 0.2° |
| C27 | N28 | C29 | HN28 | 180.0° | 179.9° |
| C27 | N28 | C29 | C30 | 178.8° | 180.0° |
| C27 | N28 | C29 | C25 | 0.9° | 0.1° |
| N28 | C27 | N26 | C25 | 1.2° | 0.1° |
| N26 | C27 | N28 | C29 | 1.3° | 0.1° |
| N26 | C27 | N28 | HN28 | 178.6° | 180.0° |
| C27 | N26 | C25 | C29 | 0.6° | 0.0° |
| N28 | C29 | C30 | C25 | 179.7° | 180.0° |
| N28 | C29 | C30 | C31 | 179.3° | 180.0° |
| N28 | C29 | C30 | H30 | 0.7° | 0.0° |
| N28 | C29 | C25 | N26 | 0.2° | 0.0° |
| HN28 | N28 | C29 | C30 | 1.2° | 0.1° |
| HN28 | N28 | C29 | C25 | 179.1° | 179.9° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C23 | 0.9° | 0.0° |
| C29 | C30 | C31 | H31 | 179.1° | 180.0° |
| C30 | C29 | C25 | N26 | 179.5° | 180.0° |
| C25 | C29 | C30 | C31 | 1.0° | 0.0° |
| C25 | C29 | C30 | H30 | 178.9° | 180.0° |
| C30 | C31 | C23 | H31 | 180.0° | 180.0° |
| C30 | C31 | C23 | O22 | 179.5° | 180.0° |
| H30 | C30 | C31 | C23 | 179.0° | 180.0° |
| H30 | C30 | C31 | H31 | 0.9° | 0.0° |
| C31 | C23 | O22 | C19 | 33.2° | 135.0° |
| H31 | C31 | C23 | O22 | 0.5° | 0.0° |
| C23 | O22 | C19 | C18 | 128.1° | 135.0° |
| O22 | C19 | C18 | H18 | 0.1° | 0.1° |
| F1 | C2 | F3 | F4 | 106.7° | 111.3° |
