GEX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| C11 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| N1 | C7 | sing | 1.40Å | 1.40Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | S1 | sing | 1.81Å | 1.79Å | |
| C2 | S1 | sing | 1.76Å | 1.76Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C10 | C11 | 110.4° | 109.4° |
| C10 | N2 | C9 | 109.9° | 110.9° |
| N2 | C10 | H13 | 109.3° | 109.5° |
| N2 | C10 | H14 | 109.2° | 109.5° |
| C10 | N2 | H12 | 109.4° | 111.0° |
| C10 | C11 | N1 | 110.3° | 109.4° |
| C10 | C11 | H16 | 109.3° | 109.5° |
| C10 | C11 | H15 | 109.3° | 109.5° |
| C11 | C10 | H13 | 109.2° | 109.4° |
| C11 | C10 | H14 | 109.2° | 109.5° |
| N2 | C9 | C8 | 111.9° | 109.4° |
| N2 | C9 | H11 | 108.9° | 109.5° |
| N2 | C9 | H10 | 108.9° | 109.6° |
| C9 | N2 | H12 | 109.3° | 111.0° |
| C11 | N1 | C8 | 111.3° | 110.9° |
| C11 | N1 | C7 | 123.7° | 111.0° |
| N1 | C11 | H16 | 109.3° | 109.5° |
| N1 | C11 | H15 | 109.2° | 109.5° |
| C9 | C8 | N1 | 109.9° | 109.3° |
| C9 | C8 | H8 | 109.4° | 109.5° |
| C9 | C8 | H9 | 109.3° | 109.5° |
| C8 | C9 | H11 | 108.9° | 109.4° |
| C8 | C9 | H10 | 108.9° | 109.5° |
| C8 | N1 | C7 | 124.8° | 111.0° |
| N1 | C8 | H8 | 109.4° | 109.5° |
| N1 | C8 | H9 | 109.4° | 109.5° |
| N1 | C7 | C6 | 120.0° | 120.1° |
| N1 | C7 | C2 | 121.4° | 120.1° |
| C7 | C6 | C5 | 121.2° | 120.0° |
| C6 | C7 | C2 | 118.6° | 119.8° |
| C7 | C6 | H7 | 119.4° | 120.0° |
| C6 | C5 | C4 | 120.0° | 120.2° |
| C6 | C5 | H6 | 120.0° | 119.9° |
| C5 | C6 | H7 | 119.4° | 120.0° |
| C7 | C2 | S1 | 124.6° | 120.1° |
| C7 | C2 | C3 | 119.3° | 119.8° |
| C5 | C4 | C3 | 119.9° | 120.2° |
| C5 | C4 | H5 | 120.1° | 119.9° |
| C4 | C5 | H6 | 120.0° | 120.0° |
| C1 | S1 | C2 | 102.4° | 103.0° |
| S1 | C1 | H1 | 109.5° | 109.5° |
| S1 | C1 | H2 | 109.5° | 109.5° |
| S1 | C1 | H3 | 109.4° | 109.5° |
| S1 | C2 | C3 | 116.1° | 120.1° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C2 | C3 | H4 | 119.5° | 120.0° |
| C3 | C4 | H5 | 120.1° | 119.9° |
| C4 | C3 | H4 | 119.5° | 120.0° |
| H16 | C11 | H15 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H11 | C9 | H10 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C10 | C11 | H13 | 120.2° | 120.0° |
| N2 | C10 | C11 | H14 | 120.2° | 120.0° |
| C10 | N2 | C9 | H12 | 120.1° | 123.8° |
| N2 | C10 | C11 | N1 | 58.0° | 58.4° |
| C10 | N2 | C9 | C8 | 57.6° | 59.4° |
| N2 | C10 | C11 | H16 | 178.1° | 61.6° |
| N2 | C10 | C11 | H15 | 62.1° | 178.4° |
| C10 | N2 | C9 | H11 | 178.0° | 179.2° |
| C10 | N2 | C9 | H10 | 62.7° | 60.7° |
| N2 | C10 | H13 | H14 | 119.6° | 120.1° |
| C11 | C10 | N2 | C9 | 58.0° | 59.3° |
| C10 | C11 | N1 | H16 | 120.1° | 119.9° |
| C10 | C11 | N1 | H15 | 120.1° | 120.0° |
| C10 | C11 | N1 | C8 | 57.0° | 59.3° |
| C10 | C11 | N1 | C7 | 118.2° | 176.8° |
| C10 | C11 | H16 | H15 | 119.7° | 120.1° |
| C11 | C10 | H13 | H14 | 119.5° | 120.0° |
| C11 | C10 | N2 | H12 | 62.0° | 176.9° |
| N2 | C9 | C8 | H11 | 120.3° | 119.9° |
| N2 | C9 | C8 | H10 | 120.4° | 120.1° |
| N2 | C9 | C8 | N1 | 56.2° | 58.4° |
| N2 | C9 | C8 | H8 | 63.9° | 178.4° |
| N2 | C9 | C8 | H9 | 176.2° | 61.5° |
| N2 | C9 | H11 | H10 | 118.9° | 120.2° |
| C9 | N2 | C10 | H13 | 62.1° | 60.6° |
| C9 | N2 | C10 | H14 | 178.2° | 179.3° |
| C11 | N1 | C8 | C9 | 55.6° | 59.3° |
| C11 | N1 | C8 | C7 | 175.1° | 123.9° |
| C11 | N1 | C7 | C6 | 47.0° | 60.0° |
| C11 | N1 | C7 | C2 | 132.9° | 120.0° |
| N1 | C11 | H16 | H15 | 119.6° | 120.0° |
| C11 | N1 | C8 | H8 | 64.5° | 179.3° |
| C11 | N1 | C8 | H9 | 175.6° | 60.6° |
| N1 | C11 | C10 | H13 | 62.1° | 61.6° |
| N1 | C11 | C10 | H14 | 178.2° | 178.4° |
| C9 | C8 | N1 | H8 | 120.1° | 120.0° |
| C9 | C8 | N1 | H9 | 120.0° | 119.9° |
| C9 | C8 | N1 | C7 | 119.5° | 176.8° |
| C9 | C8 | H8 | H9 | 119.8° | 120.1° |
| C8 | C9 | H11 | H10 | 118.9° | 120.0° |
| C8 | C9 | N2 | H12 | 62.4° | 176.8° |
| C8 | N1 | C7 | C6 | 127.5° | 63.9° |
| C8 | N1 | C7 | C2 | 52.6° | 116.2° |
| C8 | N1 | C11 | H16 | 177.1° | 60.7° |
| C8 | N1 | C11 | H15 | 63.2° | 179.3° |
| N1 | C8 | H8 | H9 | 119.8° | 120.1° |
| N1 | C8 | C9 | H11 | 176.5° | 178.3° |
| N1 | C8 | C9 | H10 | 64.2° | 61.7° |
| N1 | C7 | C6 | C2 | 179.9° | 180.0° |
| N1 | C7 | C6 | C5 | 179.9° | 179.9° |
| N1 | C7 | C2 | S1 | 1.0° | 0.0° |
| N1 | C7 | C2 | C3 | 179.8° | 180.0° |
| N1 | C7 | C6 | H7 | 0.2° | 0.0° |
| C7 | N1 | C11 | H16 | 1.9° | 63.2° |
| C7 | N1 | C11 | H15 | 121.7° | 56.8° |
| C7 | N1 | C8 | H8 | 120.4° | 56.8° |
| C7 | N1 | C8 | H9 | 0.5° | 63.2° |
| C7 | C6 | C5 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.5° | 0.1° |
| C6 | C7 | C2 | S1 | 178.9° | 180.0° |
| C6 | C7 | C2 | C3 | 0.1° | 0.0° |
| C7 | C6 | C5 | H6 | 179.5° | 180.0° |
| C5 | C6 | C7 | C2 | 0.0° | 0.1° |
| C6 | C5 | C4 | H6 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.9° | 0.0° |
| C6 | C5 | C4 | H5 | 179.1° | 179.8° |
| C7 | C2 | S1 | C1 | 51.2° | 180.0° |
| C7 | C2 | S1 | C3 | 178.9° | 180.0° |
| C7 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C7 | C6 | H7 | 179.9° | 180.0° |
| C7 | C2 | C3 | H4 | 179.5° | 179.7° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C5 | C4 | C3 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H7 | 179.5° | 180.0° |
| C5 | C4 | C3 | H4 | 179.1° | 179.7° |
| C1 | S1 | C2 | C3 | 127.7° | 0.0° |
| S1 | C1 | H1 | H2 | 120.0° | 120.0° |
| S1 | C1 | H1 | H3 | 120.0° | 120.0° |
| S1 | C1 | H2 | H3 | 120.0° | 120.0° |
| S1 | C2 | C3 | C4 | 179.5° | 180.0° |
| S1 | C2 | C3 | H4 | 0.5° | 0.3° |
| C2 | S1 | C1 | H1 | 180.0° | 180.0° |
| C2 | S1 | C1 | H2 | 60.0° | 60.0° |
| C2 | S1 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C2 | C3 | C4 | H5 | 179.1° | 179.7° |
| C3 | C4 | C5 | H6 | 179.1° | 179.9° |
| H5 | C4 | C5 | H6 | 0.9° | 0.3° |
| H5 | C4 | C3 | H4 | 0.9° | 0.0° |
| H6 | C5 | C6 | H7 | 0.5° | 0.1° |
| H16 | C11 | C10 | H13 | 58.0° | 178.4° |
| H16 | C11 | C10 | H14 | 61.7° | 58.4° |
| H15 | C11 | C10 | H13 | 177.7° | 58.4° |
| H15 | C11 | C10 | H14 | 58.1° | 61.6° |
| H8 | C8 | C9 | H11 | 56.5° | 61.7° |
| H8 | C8 | C9 | H10 | 175.7° | 58.3° |
| H9 | C8 | C9 | H11 | 63.4° | 58.4° |
| H9 | C8 | C9 | H10 | 55.9° | 178.4° |
| H11 | C9 | N2 | H12 | 57.9° | 56.9° |
| H10 | C9 | N2 | H12 | 177.2° | 63.2° |
| H13 | C10 | N2 | H12 | 177.9° | 63.2° |
| H14 | C10 | N2 | H12 | 58.1° | 56.8° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
