GFI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F24 | C22 | sing | 1.40Å | 1.34Å | |
| C22 | F25 | sing | 1.40Å | 1.34Å | |
| C22 | F26 | sing | 1.40Å | 1.34Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| N20 | C21 | doub | 1.31Å | 1.33Å | Aromatic |
| N20 | C18 | sing | 1.35Å | 1.44Å | Aromatic |
| C21 | O23 | sing | 1.34Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.57Å | |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| C17 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.59Å | |
| C09 | O10 | sing | 1.43Å | 1.45Å | |
| C18 | C15 | sing | 1.48Å | 1.48Å | |
| C18 | N19 | doub | 1.31Å | 1.36Å | Aromatic |
| O23 | N19 | sing | 1.21Å | 1.33Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
| C06 | O01 | sing | 1.34Å | 1.38Å | Aromatic |
| C05 | C03 | sing | 1.42Å | 1.46Å | Aromatic |
| C11 | O10 | sing | 1.36Å | 1.38Å | |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| O01 | N02 | sing | 1.21Å | 1.33Å | Aromatic |
| C03 | C04 | sing | 1.48Å | 1.50Å | |
| C03 | N02 | doub | 1.31Å | 1.35Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | N28 | sing | 1.46Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C04 | N28 | sing | 1.35Å | 1.46Å | |
| C04 | O27 | doub | 1.21Å | 1.21Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F24 | C22 | F25 | 105.2° | 109.4° |
| F24 | C22 | F26 | 105.2° | 109.4° |
| F24 | C22 | C21 | 114.5° | 109.4° |
| F25 | C22 | F26 | 105.4° | 109.5° |
| F25 | C22 | C21 | 112.4° | 109.5° |
| F26 | C22 | C21 | 113.4° | 109.5° |
| C22 | C21 | N20 | 130.6° | 126.5° |
| C22 | C21 | O23 | 118.2° | 126.4° |
| C21 | N20 | C18 | 103.8° | 105.6° |
| N20 | C21 | O23 | 111.2° | 107.1° |
| N20 | C18 | C15 | 124.4° | 126.4° |
| N20 | C18 | N19 | 108.9° | 107.1° |
| C21 | O23 | N19 | 108.3° | 110.0° |
| C17 | C16 | C15 | 122.0° | 120.0° |
| C16 | C17 | C11 | 122.3° | 120.0° |
| C16 | C17 | H171 | 118.9° | 120.0° |
| C17 | C16 | H161 | 119.0° | 120.0° |
| C16 | C15 | C18 | 120.7° | 120.1° |
| C16 | C15 | C14 | 116.7° | 119.9° |
| C15 | C16 | H161 | 119.0° | 120.0° |
| C08 | C07 | C06 | 121.8° | 109.5° |
| C07 | C08 | C09 | 115.0° | 109.5° |
| C08 | C07 | H072 | 106.3° | 109.5° |
| C08 | C07 | H071 | 106.3° | 109.5° |
| C07 | C08 | H082 | 108.0° | 109.5° |
| C07 | C08 | H081 | 108.0° | 109.5° |
| C07 | C06 | C05 | 134.0° | 126.6° |
| C07 | C06 | O01 | 119.3° | 126.7° |
| C06 | C07 | H072 | 106.3° | 109.5° |
| C06 | C07 | H071 | 106.3° | 109.5° |
| C17 | C11 | O10 | 125.0° | 120.0° |
| C17 | C11 | C12 | 115.9° | 120.2° |
| C11 | C17 | H171 | 118.8° | 120.0° |
| C08 | C09 | O10 | 112.2° | 109.4° |
| C09 | C08 | H082 | 108.1° | 109.5° |
| C09 | C08 | H081 | 108.1° | 109.5° |
| C08 | C09 | H092 | 108.8° | 109.5° |
| C08 | C09 | H091 | 108.8° | 109.5° |
| C09 | O10 | C11 | 119.2° | 116.9° |
| O10 | C09 | H092 | 108.8° | 109.5° |
| O10 | C09 | H091 | 108.8° | 109.5° |
| C15 | C18 | N19 | 126.7° | 126.5° |
| C18 | C15 | C14 | 122.6° | 120.0° |
| C18 | N19 | O23 | 107.8° | 110.1° |
| C15 | C14 | C12 | 121.6° | 119.9° |
| C15 | C14 | H141 | 119.2° | 120.1° |
| C05 | C06 | O01 | 106.7° | 106.7° |
| C06 | C05 | C03 | 105.7° | 103.9° |
| C06 | C05 | H051 | 127.2° | 128.1° |
| C06 | O01 | N02 | 111.3° | 111.8° |
| C05 | C03 | C04 | 127.8° | 126.9° |
| C05 | C03 | N02 | 107.3° | 106.1° |
| C03 | C05 | H051 | 127.2° | 128.0° |
| O10 | C11 | C12 | 119.0° | 119.9° |
| C11 | C12 | C14 | 121.4° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| O01 | N02 | C03 | 109.0° | 111.5° |
| C04 | C03 | N02 | 124.9° | 127.0° |
| C03 | C04 | N28 | 117.6° | 120.0° |
| C03 | C04 | O27 | 119.9° | 120.0° |
| C14 | C12 | C13 | 118.0° | 120.0° |
| C12 | C14 | H141 | 119.2° | 120.0° |
| C30 | N28 | C04 | 123.0° | 120.0° |
| C30 | N28 | C29 | 116.5° | 120.0° |
| N28 | C30 | H303 | 109.5° | 109.5° |
| N28 | C30 | H302 | 109.5° | 109.5° |
| N28 | C30 | H301 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| N28 | C04 | O27 | 122.6° | 120.0° |
| C04 | N28 | C29 | 120.6° | 120.0° |
| N28 | C29 | H292 | 109.5° | 109.5° |
| N28 | C29 | H291 | 109.4° | 109.4° |
| N28 | C29 | H293 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.4° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.4° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.4° |
| H303 | C30 | H302 | 109.4° | 109.4° |
| H303 | C30 | H301 | 109.4° | 109.4° |
| H302 | C30 | H301 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F24 | C22 | F25 | F26 | 110.9° | 119.9° |
| F24 | C22 | F25 | C21 | 125.2° | 120.0° |
| F24 | C22 | F26 | C21 | 125.8° | 120.0° |
| F24 | C22 | C21 | N20 | 29.3° | 29.8° |
| F24 | C22 | C21 | O23 | 151.1° | 150.0° |
| F25 | C22 | F26 | C21 | 123.3° | 120.1° |
| F25 | C22 | C21 | N20 | 149.2° | 90.2° |
| F25 | C22 | C21 | O23 | 31.2° | 90.0° |
| F26 | C22 | C21 | N20 | 91.4° | 149.7° |
| F26 | C22 | C21 | O23 | 88.2° | 30.0° |
| C22 | C21 | N20 | O23 | 179.6° | 179.8° |
| C22 | C21 | N20 | C18 | 179.5° | 179.8° |
| C22 | C21 | O23 | N19 | 179.8° | 179.9° |
| C21 | N20 | C18 | C15 | 179.2° | 179.8° |
| C21 | N20 | C18 | N19 | 0.3° | 0.3° |
| N20 | C21 | O23 | N19 | 0.2° | 0.3° |
| C18 | N20 | C21 | O23 | 0.1° | 0.0° |
| N20 | C18 | C15 | C16 | 5.7° | 0.3° |
| N20 | C18 | C15 | N19 | 178.7° | 179.4° |
| N20 | C18 | N19 | O23 | 0.4° | 0.5° |
| N20 | C18 | C15 | C14 | 173.5° | 179.5° |
| C21 | O23 | N19 | C18 | 0.4° | 0.5° |
| C17 | C16 | C15 | H161 | 180.0° | 179.9° |
| C16 | C17 | C11 | H171 | 180.0° | 179.9° |
| C17 | C16 | C15 | C18 | 179.5° | 179.7° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C17 | C11 | O10 | 179.7° | 180.0° |
| C16 | C17 | C11 | C12 | 0.1° | 0.0° |
| C15 | C16 | C17 | C11 | 0.1° | 0.0° |
| C16 | C15 | C18 | C14 | 179.2° | 179.8° |
| C16 | C15 | C18 | N19 | 175.6° | 179.7° |
| C16 | C15 | C14 | C12 | 0.2° | 0.0° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C16 | C15 | C14 | H141 | 179.8° | 180.0° |
| C08 | C07 | C06 | H072 | 121.7° | 120.0° |
| C08 | C07 | C06 | H071 | 121.7° | 120.1° |
| C07 | C08 | C09 | H082 | 120.8° | 120.0° |
| C07 | C08 | C09 | H081 | 120.8° | 120.0° |
| C07 | C08 | C09 | O10 | 145.8° | 180.0° |
| C08 | C07 | C06 | C05 | 144.6° | 90.0° |
| C08 | C07 | C06 | O01 | 34.3° | 89.9° |
| C08 | C07 | H072 | H071 | 114.4° | 120.0° |
| C07 | C08 | H082 | H081 | 117.4° | 120.0° |
| C07 | C08 | C09 | H092 | 25.4° | 60.0° |
| C07 | C08 | C09 | H091 | 93.7° | 60.0° |
| C06 | C07 | C08 | C09 | 136.3° | 180.0° |
| C07 | C06 | C05 | O01 | 178.9° | 180.0° |
| C07 | C06 | C05 | C03 | 179.4° | 180.0° |
| C07 | C06 | O01 | N02 | 179.7° | 179.7° |
| C07 | C06 | C05 | H051 | 0.6° | 0.0° |
| C06 | C07 | H072 | H071 | 114.4° | 120.0° |
| C06 | C07 | C08 | H082 | 102.9° | 60.0° |
| C06 | C07 | C08 | H081 | 15.5° | 60.0° |
| C17 | C11 | O10 | C09 | 27.2° | 0.0° |
| C17 | C11 | O10 | C12 | 179.7° | 180.0° |
| C17 | C11 | C12 | C14 | 0.1° | 0.1° |
| C17 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C17 | C16 | H161 | 180.0° | 180.0° |
| C08 | C09 | O10 | H092 | 120.4° | 120.0° |
| C08 | C09 | O10 | H091 | 120.4° | 120.0° |
| C08 | C09 | O10 | C11 | 150.3° | 180.0° |
| C09 | C08 | C07 | H072 | 102.0° | 60.0° |
| C09 | C08 | C07 | H071 | 14.6° | 60.0° |
| C09 | C08 | H082 | H081 | 117.5° | 120.0° |
| C08 | C09 | H092 | H091 | 118.7° | 120.0° |
| C09 | O10 | C11 | C12 | 152.5° | 180.0° |
| O10 | C09 | C08 | H082 | 93.4° | 60.0° |
| O10 | C09 | C08 | H081 | 25.0° | 60.0° |
| O10 | C09 | H092 | H091 | 118.7° | 120.0° |
| C15 | C18 | N19 | O23 | 179.3° | 180.0° |
| C18 | C15 | C14 | C12 | 179.5° | 179.8° |
| C18 | C15 | C14 | H141 | 0.5° | 0.3° |
| C18 | C15 | C16 | H161 | 0.5° | 0.2° |
| N19 | C18 | C15 | C14 | 5.2° | 0.1° |
| C15 | C14 | C12 | C11 | 0.1° | 0.1° |
| C15 | C14 | C12 | H141 | 180.0° | 179.9° |
| C15 | C14 | C12 | C13 | 179.9° | 180.0° |
| C14 | C15 | C16 | H161 | 179.8° | 180.0° |
| C06 | C05 | C03 | H051 | 180.0° | 180.0° |
| C05 | C06 | O01 | N02 | 0.5° | 0.2° |
| C06 | C05 | C03 | C04 | 180.0° | 180.0° |
| C06 | C05 | C03 | N02 | 0.3° | 0.2° |
| C05 | C06 | C07 | H072 | 93.7° | 150.0° |
| C05 | C06 | C07 | H071 | 22.8° | 30.0° |
| O01 | C06 | C05 | C03 | 0.5° | 0.0° |
| C06 | O01 | N02 | C03 | 0.3° | 0.4° |
| O01 | C06 | C05 | H051 | 179.5° | 180.0° |
| O01 | C06 | C07 | H072 | 87.4° | 30.0° |
| O01 | C06 | C07 | H071 | 156.0° | 150.0° |
| C05 | C03 | N02 | O01 | 0.0° | 0.4° |
| C05 | C03 | C04 | N02 | 179.6° | 179.7° |
| C05 | C03 | C04 | N28 | 131.6° | 177.1° |
| C05 | C03 | C04 | O27 | 48.9° | 3.0° |
| O10 | C11 | C12 | C14 | 179.8° | 179.9° |
| O10 | C11 | C12 | C13 | 0.2° | 0.0° |
| O10 | C11 | C17 | H171 | 0.2° | 0.1° |
| C11 | O10 | C09 | H092 | 89.2° | 60.0° |
| C11 | O10 | C09 | H091 | 29.9° | 60.0° |
| C11 | C12 | C14 | C13 | 180.0° | 179.9° |
| C11 | C12 | C13 | H131 | 90.0° | 90.0° |
| C11 | C12 | C13 | H132 | 150.0° | 149.9° |
| C11 | C12 | C13 | H133 | 30.0° | 30.0° |
| C12 | C11 | C17 | H171 | 179.9° | 179.9° |
| C11 | C12 | C14 | H141 | 179.9° | 180.0° |
| O01 | N02 | C03 | C04 | 179.7° | 179.8° |
| C03 | C04 | N28 | C30 | 0.5° | 174.0° |
| C03 | C04 | N28 | O27 | 179.5° | 179.9° |
| C03 | C04 | N28 | C29 | 179.9° | 6.0° |
| C04 | C03 | C05 | H051 | 0.0° | 0.0° |
| N02 | C03 | C04 | N28 | 48.7° | 3.2° |
| N02 | C03 | C04 | O27 | 130.8° | 176.7° |
| N02 | C03 | C05 | H051 | 179.7° | 179.8° |
| C14 | C12 | C13 | H131 | 90.0° | 90.0° |
| C14 | C12 | C13 | H132 | 30.0° | 30.0° |
| C14 | C12 | C13 | H133 | 150.0° | 149.9° |
| C30 | N28 | C04 | C29 | 179.6° | 180.0° |
| C30 | N28 | C04 | O27 | 180.0° | 6.1° |
| C30 | N28 | C29 | H292 | 180.0° | 173.5° |
| C30 | N28 | C29 | H291 | 60.0° | 53.5° |
| C30 | N28 | C29 | H293 | 60.0° | 66.5° |
| N28 | C30 | H303 | H302 | 120.0° | 120.0° |
| N28 | C30 | H303 | H301 | 120.0° | 120.0° |
| N28 | C30 | H302 | H301 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.1° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | H141 | 0.1° | 0.1° |
| C04 | N28 | C29 | H292 | 0.4° | 6.5° |
| C04 | N28 | C29 | H291 | 120.4° | 126.6° |
| C04 | N28 | C29 | H293 | 119.6° | 113.5° |
| C04 | N28 | C30 | H303 | 180.0° | 90.0° |
| C04 | N28 | C30 | H302 | 60.0° | 150.0° |
| C04 | N28 | C30 | H301 | 60.0° | 30.0° |
| O27 | C04 | N28 | C29 | 0.4° | 173.9° |
| N28 | C29 | H292 | H291 | 120.0° | 120.0° |
| N28 | C29 | H292 | H293 | 120.0° | 120.0° |
| N28 | C29 | H291 | H293 | 120.0° | 120.0° |
| C29 | N28 | C30 | H303 | 0.4° | 90.0° |
| C29 | N28 | C30 | H302 | 120.4° | 30.0° |
| C29 | N28 | C30 | H301 | 119.6° | 150.0° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| H171 | C17 | C16 | H161 | 0.0° | 0.1° |
| H072 | C07 | C08 | H082 | 18.9° | 180.0° |
| H072 | C07 | C08 | H081 | 137.2° | 60.0° |
| H071 | C07 | C08 | H082 | 135.4° | 60.0° |
| H071 | C07 | C08 | H081 | 106.2° | 180.0° |
| H082 | C08 | C09 | H092 | 146.2° | NaN° |
| H082 | C08 | C09 | H091 | 27.1° | 60.0° |
| H081 | C08 | C09 | H092 | 95.4° | 60.0° |
| H081 | C08 | C09 | H091 | 145.5° | 180.0° |
| H292 | C29 | H291 | H293 | 120.0° | 120.0° |
| H303 | C30 | H302 | H301 | 120.0° | 119.9° |
