Obsolete: G1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C1 | sing | 1.40Å | 1.29Å | |
| F2 | C1 | sing | 1.40Å | 1.30Å | |
| O1 | C8 | doub | 1.22Å | 1.24Å | |
| C1 | F1 | sing | 1.40Å | 1.31Å | |
| C1 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C11 | sing | 1.46Å | 1.49Å | |
| C8 | N3 | sing | 1.31Å | 1.40Å | |
| C11 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| N3 | C7 | doub | 1.33Å | 1.31Å | |
| C14 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | S | sing | 1.77Å | 1.75Å | |
| C7 | N1 | sing | 1.37Å | 1.38Å | |
| C7 | S | sing | 1.74Å | 1.75Å | |
| C9 | N2 | sing | 1.40Å | 1.41Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N2 | O2 | sing | 1.42Å | 1.39Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C1 | F2 | 104.5° | 109.5° |
| F3 | C1 | F1 | 109.3° | 109.5° |
| F3 | C1 | C13 | 113.7° | 109.4° |
| F2 | C1 | F1 | 106.7° | 109.5° |
| F2 | C1 | C13 | 111.7° | 109.5° |
| O1 | C8 | C11 | 119.5° | 115.1° |
| O1 | C8 | N3 | 119.4° | 115.1° |
| F1 | C1 | C13 | 110.5° | 109.4° |
| C1 | C13 | C12 | 119.0° | 119.3° |
| C1 | C13 | C14 | 120.4° | 119.3° |
| C13 | C12 | C11 | 120.4° | 119.9° |
| C12 | C13 | C14 | 120.5° | 121.4° |
| C13 | C12 | H7 | 119.8° | 120.0° |
| C12 | C11 | C8 | 117.3° | 121.8° |
| C12 | C11 | C10 | 117.9° | 118.0° |
| C11 | C12 | H7 | 119.8° | 120.1° |
| C13 | C14 | C9 | 119.8° | 120.0° |
| C13 | C14 | H10 | 120.1° | 120.0° |
| C11 | C8 | N3 | 121.1° | 129.8° |
| C8 | C11 | C10 | 124.9° | 120.1° |
| C8 | N3 | C7 | 123.2° | 127.4° |
| C11 | C10 | C9 | 122.8° | 121.9° |
| C11 | C10 | S | 120.6° | 114.8° |
| N3 | C7 | N1 | 118.9° | 122.5° |
| N3 | C7 | S | 127.2° | 115.1° |
| C14 | C9 | C10 | 118.6° | 118.8° |
| C14 | C9 | N2 | 123.9° | 120.6° |
| C9 | C14 | H10 | 120.1° | 120.0° |
| C9 | C10 | S | 116.6° | 123.2° |
| C10 | C9 | N2 | 117.5° | 120.6° |
| C10 | S | C7 | 103.0° | 112.8° |
| N1 | C7 | S | 113.9° | 122.4° |
| C7 | N1 | C6 | 119.1° | 120.6° |
| C7 | N1 | C2 | 122.9° | 120.6° |
| C9 | N2 | O2 | 108.8° | 120.0° |
| C9 | N2 | H8 | 109.7° | 120.0° |
| C5 | C6 | N1 | 109.6° | 108.8° |
| C6 | C5 | C4 | 111.9° | 109.3° |
| C6 | C5 | H3 | 108.8° | 109.5° |
| C6 | C5 | H4 | 108.9° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.4° | 109.6° |
| C6 | N1 | C2 | 112.0° | 118.8° |
| N1 | C6 | H5 | 109.4° | 109.6° |
| N1 | C6 | H6 | 109.5° | 109.6° |
| C5 | C4 | C3 | 113.8° | 109.6° |
| C5 | C4 | H1 | 108.4° | 109.4° |
| C5 | C4 | H2 | 108.4° | 109.4° |
| C4 | C5 | H3 | 108.9° | 109.5° |
| C4 | C5 | H4 | 108.9° | 109.5° |
| N1 | C2 | C3 | 110.3° | 108.8° |
| N1 | C2 | H11 | 109.2° | 109.5° |
| N1 | C2 | H12 | 109.3° | 109.6° |
| O2 | N2 | H8 | 109.7° | 120.0° |
| N2 | O2 | H9 | 109.5° | 114.0° |
| C4 | C3 | C2 | 110.8° | 109.3° |
| C3 | C4 | H1 | 108.4° | 109.5° |
| C3 | C4 | H2 | 108.4° | 109.5° |
| C4 | C3 | H13 | 109.1° | 109.5° |
| C4 | C3 | H14 | 109.1° | 109.5° |
| C3 | C2 | H11 | 109.3° | 109.6° |
| C3 | C2 | H12 | 109.3° | 109.6° |
| C2 | C3 | H13 | 109.1° | 109.5° |
| C2 | C3 | H14 | 109.1° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.7° |
| H11 | C2 | H12 | 109.5° | 109.7° |
| H13 | C3 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C1 | F2 | F1 | 115.8° | 120.0° |
| F3 | C1 | F2 | C13 | 123.4° | 120.0° |
| F3 | C1 | F1 | C13 | 125.9° | 119.9° |
| F3 | C1 | C13 | C12 | 57.5° | 179.9° |
| F3 | C1 | C13 | C14 | 123.7° | 0.1° |
| F2 | C1 | F1 | C13 | 121.6° | 120.1° |
| F2 | C1 | C13 | C12 | 60.5° | 59.8° |
| F2 | C1 | C13 | C14 | 118.3° | 120.0° |
| O1 | C8 | C11 | C12 | 1.4° | 0.0° |
| O1 | C8 | C11 | N3 | 178.9° | 180.0° |
| O1 | C8 | C11 | C10 | 179.3° | 180.0° |
| O1 | C8 | N3 | C7 | 178.6° | 180.0° |
| F1 | C1 | C13 | C12 | 179.1° | 60.2° |
| F1 | C1 | C13 | C14 | 0.4° | 120.0° |
| C1 | C13 | C12 | C14 | 178.8° | 179.8° |
| C1 | C13 | C12 | C11 | 179.0° | 179.9° |
| C1 | C13 | C14 | C9 | 179.0° | 180.0° |
| C1 | C13 | C12 | H7 | 1.0° | 0.1° |
| C1 | C13 | C14 | H10 | 0.9° | 0.2° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | C8 | 179.4° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C14 | C9 | 0.3° | 0.2° |
| C12 | C13 | C14 | H10 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.2° |
| C12 | C11 | C8 | C10 | 179.3° | 180.0° |
| C12 | C11 | C8 | N3 | 179.7° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C12 | C11 | C10 | S | 179.7° | 180.0° |
| C13 | C14 | C9 | H10 | 180.0° | 179.8° |
| C13 | C14 | C9 | C10 | 0.2° | 0.1° |
| C13 | C14 | C9 | N2 | 178.7° | 179.9° |
| C14 | C13 | C12 | H7 | 179.7° | 179.9° |
| C11 | C8 | N3 | C7 | 0.3° | 0.1° |
| C8 | C11 | C10 | C9 | 179.2° | 180.0° |
| C8 | C11 | C10 | S | 0.5° | 0.0° |
| C8 | C11 | C12 | H7 | 0.6° | 0.0° |
| N3 | C8 | C11 | C10 | 0.4° | 0.0° |
| C8 | N3 | C7 | N1 | 179.5° | 180.0° |
| C8 | N3 | C7 | S | 0.9° | 0.1° |
| C11 | C10 | C9 | C14 | 0.0° | 0.0° |
| C11 | C10 | C9 | S | 179.7° | 180.0° |
| C11 | C10 | S | C7 | 0.0° | 0.0° |
| C11 | C10 | C9 | N2 | 178.9° | 180.0° |
| C10 | C11 | C12 | H7 | 179.9° | 180.0° |
| N3 | C7 | S | C10 | 0.7° | 0.1° |
| N3 | C7 | N1 | S | 178.7° | 180.0° |
| N3 | C7 | N1 | C6 | 6.1° | 179.7° |
| N3 | C7 | N1 | C2 | 156.6° | 0.1° |
| C14 | C9 | C10 | N2 | 178.9° | 180.0° |
| C14 | C9 | C10 | S | 179.7° | 180.0° |
| C14 | C9 | N2 | O2 | 119.7° | 0.0° |
| C14 | C9 | N2 | H8 | 120.4° | 180.0° |
| C9 | C10 | S | C7 | 179.7° | 180.0° |
| C10 | C9 | N2 | O2 | 59.2° | 180.0° |
| C10 | C9 | N2 | H8 | 60.7° | 0.0° |
| C10 | C9 | C14 | H10 | 179.8° | 180.0° |
| C10 | S | C7 | N1 | 179.3° | 180.0° |
| S | C10 | C9 | N2 | 1.4° | 0.0° |
| C7 | N1 | C6 | C5 | 91.1° | 126.2° |
| C7 | N1 | C6 | C2 | 153.6° | 179.8° |
| C7 | N1 | C2 | C3 | 89.6° | 126.1° |
| C7 | N1 | C6 | H5 | 28.9° | 6.4° |
| C7 | N1 | C6 | H6 | 148.9° | 114.1° |
| C7 | N1 | C2 | H11 | 30.5° | 114.1° |
| C7 | N1 | C2 | H12 | 150.2° | 6.3° |
| S | C7 | N1 | C6 | 172.7° | 0.2° |
| S | C7 | N1 | C2 | 22.1° | 180.0° |
| C9 | N2 | O2 | H8 | 119.9° | 180.0° |
| C9 | N2 | O2 | H9 | 180.0° | 180.0° |
| N2 | C9 | C14 | H10 | 1.3° | 0.0° |
| C5 | C6 | N1 | H5 | 120.0° | 119.8° |
| C5 | C6 | N1 | H6 | 120.0° | 119.8° |
| C6 | C5 | C4 | H3 | 120.3° | 120.0° |
| C6 | C5 | C4 | H4 | 120.4° | 120.0° |
| C5 | C6 | N1 | C2 | 62.5° | 53.6° |
| C6 | C5 | C4 | C3 | 47.3° | 61.4° |
| C6 | C5 | C4 | H1 | 73.3° | 178.6° |
| C6 | C5 | C4 | H2 | 168.0° | 58.7° |
| C6 | C5 | H3 | H4 | 118.9° | 120.1° |
| C5 | C6 | H5 | H6 | 120.0° | 120.3° |
| N1 | C6 | C5 | C4 | 53.5° | 54.6° |
| C6 | N1 | C2 | C3 | 62.8° | 53.6° |
| N1 | C6 | C5 | H3 | 173.8° | 174.6° |
| N1 | C6 | C5 | H4 | 66.9° | 65.3° |
| N1 | C6 | H5 | H6 | 120.0° | 120.4° |
| C6 | N1 | C2 | H11 | 177.0° | 66.2° |
| C6 | N1 | C2 | H12 | 57.3° | 173.4° |
| C5 | C4 | C3 | H1 | 120.7° | 120.0° |
| C5 | C4 | C3 | H2 | 120.7° | 120.0° |
| C5 | C4 | C3 | C2 | 46.7° | 61.4° |
| C5 | C4 | H1 | H2 | 118.0° | 119.9° |
| C4 | C5 | H3 | H4 | 118.9° | 120.1° |
| C4 | C5 | C6 | H5 | 173.5° | 174.4° |
| C4 | C5 | C6 | H6 | 66.5° | 65.2° |
| C5 | C4 | C3 | H13 | 166.9° | 58.6° |
| C5 | C4 | C3 | H14 | 73.5° | 178.7° |
| N1 | C2 | C3 | C4 | 53.3° | 54.6° |
| N1 | C2 | C3 | H11 | 120.1° | 119.8° |
| N1 | C2 | C3 | H12 | 120.1° | 119.8° |
| C2 | N1 | C6 | H5 | 177.5° | 173.4° |
| C2 | N1 | C6 | H6 | 57.5° | 66.2° |
| N1 | C2 | H11 | H12 | 119.6° | 120.3° |
| N1 | C2 | C3 | H13 | 173.5° | 65.3° |
| N1 | C2 | C3 | H14 | 66.9° | 174.6° |
| C4 | C3 | C2 | H13 | 120.2° | 119.9° |
| C4 | C3 | C2 | H14 | 120.2° | 119.9° |
| C3 | C4 | H1 | H2 | 118.0° | 120.0° |
| C3 | C4 | C5 | H3 | 167.7° | 178.7° |
| C3 | C4 | C5 | H4 | 73.1° | 58.6° |
| C4 | C3 | C2 | H11 | 173.4° | 65.1° |
| C4 | C3 | C2 | H12 | 66.9° | 174.4° |
| C4 | C3 | H13 | H14 | 119.4° | 120.0° |
| C2 | C3 | C4 | H1 | 74.0° | 178.6° |
| C2 | C3 | C4 | H2 | 167.4° | 58.6° |
| C3 | C2 | H11 | H12 | 119.6° | 120.4° |
| C2 | C3 | H13 | H14 | 119.4° | 120.1° |
| H1 | C4 | C5 | H3 | 47.0° | 58.7° |
| H1 | C4 | C5 | H4 | 166.3° | 61.4° |
| H1 | C4 | C3 | H13 | 46.2° | 61.4° |
| H1 | C4 | C3 | H14 | 165.8° | 58.7° |
| H2 | C4 | C5 | H3 | 71.7° | 61.3° |
| H2 | C4 | C5 | H4 | 47.6° | 178.7° |
| H2 | C4 | C3 | H13 | 72.4° | 178.6° |
| H2 | C4 | C3 | H14 | 47.2° | 61.3° |
| H3 | C5 | C6 | H5 | 66.2° | 65.6° |
| H3 | C5 | C6 | H6 | 53.8° | 54.8° |
| H4 | C5 | C6 | H5 | 53.1° | 54.5° |
| H4 | C5 | C6 | H6 | 173.1° | 174.9° |
| H8 | N2 | O2 | H9 | 60.1° | 0.0° |
| H11 | C2 | C3 | H13 | 66.4° | 174.9° |
| H11 | C2 | C3 | H14 | 53.2° | 54.8° |
| H12 | C2 | C3 | H13 | 53.3° | 54.5° |
| H12 | C2 | C3 | H14 | 172.9° | 65.6° |
