G1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C14 | sing | 1.40Å | 1.35Å | |
| F3 | C14 | sing | 1.40Å | 1.35Å | |
| C14 | F1 | sing | 1.40Å | 1.36Å | |
| C14 | C2 | sing | 1.51Å | 1.50Å | |
| O1 | C7 | doub | 1.22Å | 1.23Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C4 | sing | 1.46Å | 1.49Å | |
| C7 | N1 | sing | 1.31Å | 1.39Å | |
| C4 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| N1 | C8 | doub | 1.33Å | 1.31Å | |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | S | sing | 1.77Å | 1.75Å | |
| C6 | N3 | sing | 1.40Å | 1.45Å | |
| C8 | N2 | sing | 1.37Å | 1.42Å | |
| C8 | S | sing | 1.74Å | 1.77Å | |
| C9 | N2 | sing | 1.47Å | 1.48Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| N2 | C13 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| N3 | O2 | sing | 1.42Å | 1.25Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C14 | F3 | 105.8° | 109.5° |
| F2 | C14 | F1 | 106.0° | 109.5° |
| F2 | C14 | C2 | 114.2° | 109.5° |
| F3 | C14 | F1 | 108.0° | 109.4° |
| F3 | C14 | C2 | 110.5° | 109.5° |
| F1 | C14 | C2 | 111.9° | 109.5° |
| C14 | C2 | C3 | 116.8° | 119.3° |
| C14 | C2 | C1 | 122.2° | 119.3° |
| O1 | C7 | C4 | 120.5° | 115.1° |
| O1 | C7 | N1 | 117.7° | 115.1° |
| C2 | C3 | C4 | 121.0° | 119.9° |
| C3 | C2 | C1 | 121.1° | 121.4° |
| C2 | C3 | H6 | 119.5° | 120.0° |
| C3 | C4 | C7 | 117.0° | 121.8° |
| C3 | C4 | C5 | 117.9° | 118.1° |
| C4 | C3 | H6 | 119.5° | 120.1° |
| C2 | C1 | C6 | 118.0° | 120.0° |
| C2 | C1 | H8 | 121.0° | 120.0° |
| C4 | C7 | N1 | 121.9° | 129.8° |
| C7 | C4 | C5 | 125.0° | 120.1° |
| C7 | N1 | C8 | 122.8° | 127.4° |
| C4 | C5 | C6 | 121.2° | 121.9° |
| C4 | C5 | S | 120.1° | 114.8° |
| N1 | C8 | N2 | 117.4° | 122.5° |
| N1 | C8 | S | 127.2° | 115.1° |
| C1 | C6 | C5 | 120.7° | 118.8° |
| C1 | C6 | N3 | 120.8° | 120.6° |
| C6 | C1 | H8 | 121.0° | 120.0° |
| C6 | C5 | S | 118.7° | 123.3° |
| C5 | C6 | N3 | 118.5° | 120.6° |
| C5 | S | C8 | 103.0° | 112.8° |
| C6 | N3 | O2 | 118.1° | 120.0° |
| C6 | N3 | H1 | 107.3° | 120.0° |
| N2 | C8 | S | 115.4° | 122.4° |
| C8 | N2 | C9 | 119.2° | 120.6° |
| C8 | N2 | C13 | 124.0° | 120.6° |
| N2 | C9 | C10 | 111.2° | 108.8° |
| C9 | N2 | C13 | 110.9° | 118.7° |
| N2 | C9 | H13 | 109.0° | 109.6° |
| N2 | C9 | H14 | 109.0° | 109.5° |
| C9 | C10 | C11 | 111.6° | 109.3° |
| C9 | C10 | H2 | 109.0° | 109.5° |
| C9 | C10 | H3 | 108.9° | 109.5° |
| C10 | C9 | H13 | 109.0° | 109.6° |
| C10 | C9 | H14 | 109.0° | 109.6° |
| N2 | C13 | C12 | 112.2° | 108.8° |
| N2 | C13 | H4 | 108.8° | 109.6° |
| N2 | C13 | H5 | 108.8° | 109.7° |
| C10 | C11 | C12 | 111.2° | 109.5° |
| C11 | C10 | H2 | 108.9° | 109.5° |
| C11 | C10 | H3 | 108.9° | 109.5° |
| C10 | C11 | H11 | 109.0° | 109.5° |
| C10 | C11 | H12 | 109.0° | 109.5° |
| O2 | N3 | H1 | 107.3° | 120.0° |
| N3 | O2 | H7 | 109.5° | 114.0° |
| C13 | C12 | C11 | 110.4° | 109.3° |
| C12 | C13 | H4 | 108.8° | 109.6° |
| C12 | C13 | H5 | 108.8° | 109.6° |
| C13 | C12 | H9 | 109.2° | 109.5° |
| C13 | C12 | H10 | 109.3° | 109.5° |
| C11 | C12 | H9 | 109.2° | 109.5° |
| C11 | C12 | H10 | 109.2° | 109.5° |
| C12 | C11 | H11 | 109.0° | 109.4° |
| C12 | C11 | H12 | 109.0° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.6° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C14 | F3 | F1 | 113.2° | 120.0° |
| F2 | C14 | F3 | C2 | 124.1° | 120.0° |
| F2 | C14 | F1 | C2 | 125.1° | 120.1° |
| F2 | C14 | C2 | C3 | 31.7° | 60.1° |
| F2 | C14 | C2 | C1 | 148.8° | 120.0° |
| F3 | C14 | F1 | C2 | 121.9° | 120.0° |
| F3 | C14 | C2 | C3 | 87.5° | 179.9° |
| F3 | C14 | C2 | C1 | 92.1° | 0.0° |
| F1 | C14 | C2 | C3 | 152.1° | 59.9° |
| F1 | C14 | C2 | C1 | 28.3° | 120.0° |
| C14 | C2 | C3 | C1 | 179.6° | 179.9° |
| C14 | C2 | C3 | C4 | 179.9° | 180.0° |
| C14 | C2 | C1 | C6 | 179.9° | 180.0° |
| C14 | C2 | C3 | H6 | 0.1° | 0.1° |
| C14 | C2 | C1 | H8 | 0.1° | 0.2° |
| O1 | C7 | C4 | C3 | 0.6° | 0.1° |
| O1 | C7 | C4 | N1 | 179.3° | 179.9° |
| O1 | C7 | C4 | C5 | 179.8° | 180.0° |
| O1 | C7 | N1 | C8 | 179.2° | 180.0° |
| C2 | C3 | C4 | H6 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C3 | C2 | C1 | H8 | 179.7° | 179.9° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C3 | C4 | C7 | C5 | 179.3° | 180.0° |
| C3 | C4 | C7 | N1 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | S | 179.3° | 180.0° |
| C2 | C1 | C6 | H8 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.0° | 0.1° |
| C2 | C1 | C6 | N3 | 179.8° | 180.0° |
| C1 | C2 | C3 | H6 | 179.7° | 180.0° |
| C4 | C7 | N1 | C8 | 1.5° | 0.1° |
| C7 | C4 | C5 | C6 | 179.6° | 180.0° |
| C7 | C4 | C5 | S | 0.1° | 0.0° |
| C7 | C4 | C3 | H6 | 0.7° | 0.1° |
| N1 | C7 | C4 | C5 | 0.9° | 0.1° |
| C7 | N1 | C8 | N2 | 179.0° | 180.0° |
| C7 | N1 | C8 | S | 1.4° | 0.1° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C4 | C5 | C6 | S | 179.7° | 180.0° |
| C4 | C5 | C6 | N3 | 179.5° | 180.0° |
| C4 | C5 | S | C8 | 0.1° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| N1 | C8 | S | C5 | 0.6° | 0.0° |
| N1 | C8 | N2 | S | 177.9° | 179.9° |
| N1 | C8 | N2 | C9 | 15.4° | 180.0° |
| N1 | C8 | N2 | C13 | 165.9° | 0.0° |
| C1 | C6 | C5 | N3 | 179.8° | 179.9° |
| C1 | C6 | C5 | S | 179.4° | 180.0° |
| C1 | C6 | N3 | O2 | 102.9° | 0.1° |
| C1 | C6 | N3 | H1 | 135.9° | 180.0° |
| C6 | C5 | S | C8 | 179.7° | 180.0° |
| C5 | C6 | N3 | O2 | 77.0° | 180.0° |
| C5 | C6 | N3 | H1 | 44.3° | 0.1° |
| C5 | C6 | C1 | H8 | 180.0° | 179.9° |
| S | C5 | C6 | N3 | 0.8° | 0.0° |
| C5 | S | C8 | N2 | 178.2° | 180.0° |
| C6 | N3 | O2 | H1 | 121.2° | 179.9° |
| C6 | N3 | O2 | H7 | 180.0° | 180.0° |
| N3 | C6 | C1 | H8 | 0.2° | 0.1° |
| C8 | N2 | C9 | C13 | 154.1° | 180.0° |
| C8 | N2 | C9 | C10 | 96.4° | 126.4° |
| C8 | N2 | C13 | C12 | 94.0° | 126.4° |
| C8 | N2 | C13 | H4 | 26.4° | 6.6° |
| C8 | N2 | C13 | H5 | 145.6° | 113.8° |
| C8 | N2 | C9 | H13 | 143.4° | 6.6° |
| C8 | N2 | C9 | H14 | 23.9° | 113.8° |
| S | C8 | N2 | C9 | 166.7° | 0.0° |
| S | C8 | N2 | C13 | 16.2° | 180.0° |
| N2 | C9 | C10 | H13 | 120.3° | 119.8° |
| N2 | C9 | C10 | H14 | 120.3° | 119.8° |
| N2 | C9 | C10 | C11 | 55.1° | 54.6° |
| C9 | N2 | C13 | C12 | 58.6° | 53.6° |
| N2 | C9 | C10 | H2 | 175.5° | 65.3° |
| N2 | C9 | C10 | H3 | 65.2° | 174.6° |
| C9 | N2 | C13 | H4 | 179.0° | 173.4° |
| C9 | N2 | C13 | H5 | 61.8° | 66.2° |
| N2 | C9 | H13 | H14 | 119.2° | 120.3° |
| C10 | C9 | N2 | C13 | 57.7° | 53.6° |
| C9 | C10 | C11 | H2 | 120.3° | 120.0° |
| C9 | C10 | C11 | H3 | 120.3° | 119.9° |
| C9 | C10 | C11 | C12 | 52.5° | 61.4° |
| C9 | C10 | H2 | H3 | 119.0° | 120.1° |
| C9 | C10 | C11 | H11 | 67.8° | 58.6° |
| C9 | C10 | C11 | H12 | 172.8° | 178.6° |
| C10 | C9 | H13 | H14 | 119.2° | 120.4° |
| N2 | C13 | C12 | H4 | 120.4° | 119.8° |
| N2 | C13 | C12 | H5 | 120.4° | 119.9° |
| N2 | C13 | C12 | C11 | 55.6° | 54.6° |
| N2 | C13 | H4 | H5 | 118.7° | 120.4° |
| N2 | C13 | C12 | H9 | 64.5° | 65.4° |
| N2 | C13 | C12 | H10 | 175.8° | 174.6° |
| C13 | N2 | C9 | H13 | 62.5° | 173.4° |
| C13 | N2 | C9 | H14 | 178.0° | 66.2° |
| C10 | C11 | C12 | C13 | 52.2° | 61.4° |
| C10 | C11 | C12 | H11 | 120.3° | 120.0° |
| C10 | C11 | C12 | H12 | 120.3° | 120.0° |
| C11 | C10 | H2 | H3 | 119.0° | 120.1° |
| C10 | C11 | C12 | H9 | 68.0° | 58.6° |
| C10 | C11 | C12 | H10 | 172.3° | 178.6° |
| C10 | C11 | H11 | H12 | 119.2° | 120.0° |
| C11 | C10 | C9 | H13 | 65.1° | 174.4° |
| C11 | C10 | C9 | H14 | 175.4° | 65.1° |
| C13 | C12 | C11 | H9 | 120.1° | 120.0° |
| C13 | C12 | C11 | H10 | 120.2° | 120.0° |
| C12 | C13 | H4 | H5 | 118.8° | 120.3° |
| C13 | C12 | H9 | H10 | 119.6° | 120.0° |
| C13 | C12 | C11 | H11 | 68.1° | 58.6° |
| C13 | C12 | C11 | H12 | 172.5° | 178.6° |
| C12 | C11 | C10 | H2 | 172.9° | 58.6° |
| C12 | C11 | C10 | H3 | 67.8° | 178.7° |
| C11 | C12 | C13 | H4 | 176.1° | 174.4° |
| C11 | C12 | C13 | H5 | 64.8° | 65.2° |
| C11 | C12 | H9 | H10 | 119.6° | 120.1° |
| C12 | C11 | H11 | H12 | 119.2° | 119.9° |
| H1 | N3 | O2 | H7 | 58.7° | 0.1° |
| H2 | C10 | C11 | H11 | 52.6° | 178.6° |
| H2 | C10 | C11 | H12 | 66.9° | 61.4° |
| H2 | C10 | C9 | H13 | 55.2° | 54.5° |
| H2 | C10 | C9 | H14 | 64.3° | 174.9° |
| H3 | C10 | C11 | H11 | 171.9° | 61.3° |
| H3 | C10 | C11 | H12 | 52.5° | 58.7° |
| H3 | C10 | C9 | H13 | 174.6° | 65.6° |
| H3 | C10 | C9 | H14 | 55.1° | 54.8° |
| H4 | C13 | C12 | H9 | 55.9° | 54.4° |
| H4 | C13 | C12 | H10 | 63.8° | 65.6° |
| H5 | C13 | C12 | H9 | 175.1° | 174.8° |
| H5 | C13 | C12 | H10 | 55.4° | 54.8° |
| H9 | C12 | C11 | H11 | 171.8° | 178.6° |
| H9 | C12 | C11 | H12 | 52.3° | 61.4° |
| H10 | C12 | C11 | H11 | 52.1° | 61.3° |
| H10 | C12 | C11 | H12 | 67.4° | 58.6° |
