GT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C9 | trip | 1.14Å | 1.15Å | |
| C9 | C8 | sing | 1.47Å | 1.45Å | |
| O1 | C7 | doub | 1.21Å | 1.24Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| 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 | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| 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) |
| N2 | C9 | C8 | 176.4° | 179.9° |
| C9 | C8 | C7 | 111.8° | 109.4° |
| C9 | C8 | H7 | 108.9° | 109.5° |
| C9 | C8 | H8 | 108.9° | 109.5° |
| O1 | C7 | C8 | 121.7° | 120.0° |
| O1 | C7 | N1 | 124.1° | 120.0° |
| C8 | C7 | N1 | 114.2° | 120.0° |
| C7 | C8 | H7 | 108.9° | 109.5° |
| C7 | C8 | H8 | 108.9° | 109.4° |
| C7 | N1 | C4 | 125.8° | 120.1° |
| C7 | N1 | H1 | 117.1° | 120.0° |
| N1 | C4 | C3 | 112.2° | 109.5° |
| N1 | C4 | C5 | 109.8° | 109.5° |
| C4 | N1 | H1 | 117.1° | 119.9° |
| N1 | C4 | H2 | 108.7° | 109.4° |
| C4 | C3 | C2 | 111.7° | 109.5° |
| C3 | C4 | C5 | 110.0° | 109.5° |
| C3 | C4 | H2 | 108.1° | 109.5° |
| C4 | C3 | H13 | 108.9° | 109.5° |
| C4 | C3 | H14 | 108.9° | 109.5° |
| C3 | C2 | C1 | 113.1° | 109.5° |
| C3 | C2 | H11 | 108.5° | 109.5° |
| C3 | C2 | H12 | 108.6° | 109.5° |
| C2 | C3 | H13 | 108.9° | 109.4° |
| C2 | C3 | H14 | 108.9° | 109.5° |
| C4 | C5 | C6 | 112.0° | 109.4° |
| C5 | C4 | H2 | 107.9° | 109.4° |
| C4 | C5 | H3 | 108.8° | 109.5° |
| C4 | C5 | H4 | 108.8° | 109.5° |
| C2 | C1 | C6 | 110.8° | 109.4° |
| C2 | C1 | H9 | 109.2° | 109.5° |
| C2 | C1 | H10 | 109.2° | 109.5° |
| C1 | C2 | H11 | 108.6° | 109.5° |
| C1 | C2 | H12 | 108.5° | 109.5° |
| C5 | C6 | C1 | 110.6° | 109.5° |
| C6 | C5 | H3 | 108.9° | 109.5° |
| C6 | C5 | H4 | 108.8° | 109.4° |
| C5 | C6 | H5 | 109.2° | 109.5° |
| C5 | C6 | H6 | 109.2° | 109.5° |
| C1 | C6 | H5 | 109.2° | 109.5° |
| C1 | C6 | H6 | 109.2° | 109.4° |
| C6 | C1 | H9 | 109.1° | 109.5° |
| C6 | C1 | H10 | 109.1° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C9 | C8 | C7 | 77.8° | 173.4° |
| N2 | C9 | C8 | H7 | 161.9° | 53.5° |
| N2 | C9 | C8 | H8 | 42.6° | 66.6° |
| C9 | C8 | C7 | O1 | 7.7° | 0.0° |
| C9 | C8 | C7 | H7 | 120.4° | 120.0° |
| C9 | C8 | C7 | H8 | 120.3° | 120.0° |
| C9 | C8 | C7 | N1 | 173.5° | 180.0° |
| C9 | C8 | H7 | H8 | 118.9° | 120.0° |
| O1 | C7 | C8 | N1 | 178.7° | 180.0° |
| O1 | C7 | N1 | C4 | 1.6° | 0.0° |
| O1 | C7 | N1 | H1 | 178.4° | 179.7° |
| O1 | C7 | C8 | H7 | 112.6° | 120.0° |
| O1 | C7 | C8 | H8 | 128.1° | 120.0° |
| C8 | C7 | N1 | C4 | 179.7° | 180.0° |
| C8 | C7 | N1 | H1 | 0.3° | 0.2° |
| C7 | C8 | H7 | H8 | 119.0° | 120.0° |
| C7 | N1 | C4 | H1 | 180.0° | 179.7° |
| C7 | N1 | C4 | C3 | 82.4° | 84.7° |
| C7 | N1 | C4 | C5 | 155.0° | 155.2° |
| C7 | N1 | C4 | H2 | 37.1° | 35.3° |
| N1 | C7 | C8 | H7 | 66.1° | 60.0° |
| N1 | C7 | C8 | H8 | 53.2° | 60.1° |
| N1 | C4 | C3 | C5 | 122.5° | 120.0° |
| N1 | C4 | C3 | H2 | 119.9° | 119.9° |
| N1 | C4 | C3 | C2 | 175.8° | 180.0° |
| N1 | C4 | C5 | H2 | 118.4° | 119.9° |
| N1 | C4 | C5 | C6 | 179.5° | 180.0° |
| N1 | C4 | C5 | H3 | 59.1° | 59.9° |
| N1 | C4 | C5 | H4 | 60.1° | 60.1° |
| N1 | C4 | C3 | H13 | 55.5° | 60.1° |
| N1 | C4 | C3 | H14 | 63.9° | 59.9° |
| C4 | C3 | C2 | H13 | 120.3° | 120.0° |
| C4 | C3 | C2 | H14 | 120.3° | 120.1° |
| C3 | C4 | C5 | H2 | 117.7° | 120.1° |
| C4 | C3 | C2 | C1 | 53.1° | 60.0° |
| C3 | C4 | C5 | C6 | 56.5° | 60.0° |
| C3 | C4 | N1 | H1 | 97.6° | 95.0° |
| C3 | C4 | C5 | H3 | 176.9° | 180.0° |
| C3 | C4 | C5 | H4 | 63.9° | 60.0° |
| C4 | C3 | C2 | H11 | 173.6° | 60.0° |
| C4 | C3 | C2 | H12 | 67.4° | 180.0° |
| C4 | C3 | H13 | H14 | 119.0° | 120.0° |
| C2 | C3 | C4 | C5 | 53.3° | 60.0° |
| C3 | C2 | C1 | H11 | 120.5° | 120.0° |
| C3 | C2 | C1 | H12 | 120.5° | 120.0° |
| C3 | C2 | C1 | C6 | 53.8° | 60.0° |
| C2 | C3 | C4 | H2 | 64.4° | 60.0° |
| C3 | C2 | C1 | H9 | 66.4° | 180.0° |
| C3 | C2 | C1 | H10 | 174.0° | 60.0° |
| C3 | C2 | H11 | H12 | 118.3° | 120.0° |
| C2 | C3 | H13 | H14 | 119.0° | 120.0° |
| C4 | C5 | C6 | H3 | 120.4° | 120.1° |
| C4 | C5 | C6 | H4 | 120.4° | 120.0° |
| C4 | C5 | C6 | C1 | 58.0° | 60.0° |
| C5 | C4 | N1 | H1 | 25.1° | 25.0° |
| C4 | C5 | H3 | H4 | 118.8° | 120.0° |
| C4 | C5 | C6 | H5 | 62.2° | 60.1° |
| C4 | C5 | C6 | H6 | 178.2° | 180.0° |
| C5 | C4 | C3 | H13 | 67.1° | 60.0° |
| C5 | C4 | C3 | H14 | 173.6° | 179.9° |
| C2 | C1 | C6 | C5 | 55.5° | 60.0° |
| C2 | C1 | C6 | H9 | 120.2° | 120.0° |
| C2 | C1 | C6 | H10 | 120.2° | 120.0° |
| C2 | C1 | C6 | H5 | 64.7° | 60.0° |
| C2 | C1 | C6 | H6 | 175.6° | 180.0° |
| C2 | C1 | H9 | H10 | 119.4° | 120.0° |
| C1 | C2 | H11 | H12 | 118.3° | 120.0° |
| C1 | C2 | C3 | H13 | 67.2° | 60.0° |
| C1 | C2 | C3 | H14 | 173.4° | 180.0° |
| C5 | C6 | C1 | H5 | 120.2° | 120.0° |
| C5 | C6 | C1 | H6 | 120.2° | 120.0° |
| C6 | C5 | C4 | H2 | 61.2° | 60.1° |
| C6 | C5 | H3 | H4 | 118.9° | 120.0° |
| C5 | C6 | H5 | H6 | 119.5° | 120.0° |
| C5 | C6 | C1 | H9 | 64.7° | 180.0° |
| C5 | C6 | C1 | H10 | 175.7° | 60.0° |
| C1 | C6 | C5 | H3 | 178.4° | 180.0° |
| C1 | C6 | C5 | H4 | 62.4° | 60.0° |
| C1 | C6 | H5 | H6 | 119.5° | 120.0° |
| C6 | C1 | H9 | H10 | 119.4° | 120.0° |
| C6 | C1 | C2 | H11 | 174.3° | 60.0° |
| C6 | C1 | C2 | H12 | 66.7° | 180.0° |
| H1 | N1 | C4 | H2 | 142.9° | 145.0° |
| H2 | C4 | C5 | H3 | 59.2° | 60.0° |
| H2 | C4 | C5 | H4 | 178.4° | 180.0° |
| H2 | C4 | C3 | H13 | 175.3° | 180.0° |
| H2 | C4 | C3 | H14 | 55.9° | 60.0° |
| H3 | C5 | C6 | H5 | 58.2° | 60.0° |
| H3 | C5 | C6 | H6 | 61.4° | 60.0° |
| H4 | C5 | C6 | H5 | 177.5° | 180.0° |
| H4 | C5 | C6 | H6 | 57.8° | 60.0° |
| H5 | C6 | C1 | H9 | 175.1° | 60.0° |
| H5 | C6 | C1 | H10 | 55.5° | 180.0° |
| H6 | C6 | C1 | H9 | 55.4° | 60.0° |
| H6 | C6 | C1 | H10 | 64.1° | 60.0° |
| H9 | C1 | C2 | H11 | 54.1° | 60.0° |
| H9 | C1 | C2 | H12 | 173.1° | 60.0° |
| H10 | C1 | C2 | H11 | 65.5° | 180.0° |
| H10 | C1 | C2 | H12 | 53.5° | 60.0° |
| H11 | C2 | C3 | H13 | 53.3° | 180.0° |
| H11 | C2 | C3 | H14 | 66.1° | 60.1° |
| H12 | C2 | C3 | H13 | 172.3° | 60.0° |
| H12 | C2 | C3 | H14 | 52.9° | 60.0° |
