T8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| N | C1 | sing | 1.35Å | 1.35Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | N | sing | 1.47Å | 1.46Å | |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| C6 | O1 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 120.5° | 120.0° |
| C | C1 | N | 118.3° | 120.0° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.4° |
| O | C1 | N | 121.2° | 120.1° |
| C1 | N | C2 | 124.3° | 120.6° |
| C1 | N | C5 | 122.2° | 120.6° |
| N | C2 | C3 | 111.2° | 108.6° |
| C2 | N | C5 | 113.4° | 118.8° |
| N | C2 | H3 | 109.0° | 109.7° |
| N | C2 | H4 | 109.0° | 109.6° |
| C2 | C3 | N1 | 110.0° | 108.6° |
| C3 | C2 | H3 | 109.0° | 109.6° |
| C3 | C2 | H4 | 109.0° | 109.7° |
| C2 | C3 | H5 | 109.4° | 109.6° |
| C2 | C3 | H6 | 109.3° | 109.6° |
| C3 | N1 | C4 | 112.3° | 118.8° |
| C3 | N1 | C6 | 127.8° | 120.6° |
| N1 | C3 | H5 | 109.3° | 109.6° |
| N1 | C3 | H6 | 109.3° | 109.6° |
| N1 | C4 | C5 | 109.9° | 108.6° |
| C4 | N1 | C6 | 119.9° | 120.6° |
| N1 | C4 | H7 | 109.3° | 109.6° |
| N1 | C4 | H8 | 109.3° | 109.6° |
| C4 | C5 | N | 110.3° | 108.6° |
| C5 | C4 | H7 | 109.3° | 109.6° |
| C5 | C4 | H8 | 109.4° | 109.6° |
| C4 | C5 | H9 | 109.3° | 109.6° |
| C4 | C5 | H10 | 109.2° | 109.6° |
| N | C5 | H9 | 109.3° | 109.7° |
| N | C5 | H10 | 109.3° | 109.6° |
| N1 | C6 | O1 | 123.6° | 120.0° |
| N1 | C6 | C7 | 114.7° | 120.0° |
| O1 | C6 | C7 | 121.7° | 120.0° |
| C6 | C7 | H13 | 109.5° | 109.5° |
| C6 | C7 | H12 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.7° |
| H9 | C5 | H10 | 109.5° | 109.7° |
| H13 | C7 | H12 | 109.4° | 109.5° |
| H13 | C7 | H11 | 109.5° | 109.5° |
| H12 | C7 | H11 | 109.5° | 109.4° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.4° |
| H | C | H1 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.6° |
| H5 | C3 | H6 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 179.6° | 179.9° |
| C | C1 | N | C2 | 21.2° | 5.1° |
| C | C1 | N | C5 | 155.4° | 174.9° |
| C1 | C | H2 | H | 120.0° | 120.1° |
| C1 | C | H2 | H1 | 120.0° | 119.9° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| O | C1 | N | C2 | 158.4° | 174.8° |
| O | C1 | N | C5 | 25.0° | 5.1° |
| O | C1 | C | H2 | 0.0° | 174.7° |
| O | C1 | C | H | 120.0° | 54.6° |
| O | C1 | C | H1 | 120.0° | 65.4° |
| C1 | N | C2 | C5 | 176.8° | 179.9° |
| C1 | N | C2 | C3 | 130.0° | 124.8° |
| C1 | N | C5 | C4 | 128.9° | 124.8° |
| C1 | N | C5 | H9 | 8.7° | 115.5° |
| C1 | N | C5 | H10 | 111.0° | 5.0° |
| N | C1 | C | H2 | 179.6° | 5.2° |
| N | C1 | C | H | 60.4° | 125.3° |
| N | C1 | C | H1 | 59.6° | 114.7° |
| C1 | N | C2 | H3 | 9.8° | 115.5° |
| C1 | N | C2 | H4 | 109.7° | 4.9° |
| N | C2 | C3 | H3 | 120.3° | 119.8° |
| N | C2 | C3 | H4 | 120.2° | 119.8° |
| N | C2 | C3 | N1 | 53.2° | 49.5° |
| C2 | N | C5 | C4 | 54.3° | 55.3° |
| C2 | N | C5 | H9 | 174.4° | 64.5° |
| C2 | N | C5 | H10 | 65.9° | 175.0° |
| N | C2 | H3 | H4 | 119.2° | 120.4° |
| N | C2 | C3 | H5 | 66.9° | 70.3° |
| N | C2 | C3 | H6 | 173.3° | 169.2° |
| C2 | C3 | N1 | H5 | 120.1° | 119.8° |
| C2 | C3 | N1 | H6 | 120.1° | 119.7° |
| C2 | C3 | N1 | C4 | 57.4° | 55.2° |
| C3 | C2 | N | C5 | 53.2° | 55.3° |
| C2 | C3 | N1 | C6 | 122.2° | 124.5° |
| C3 | C2 | H3 | H4 | 119.2° | 120.5° |
| C2 | C3 | H5 | H6 | 119.8° | 120.4° |
| C3 | N1 | C4 | C6 | 179.6° | 179.7° |
| C3 | N1 | C4 | C5 | 58.9° | 55.2° |
| C3 | N1 | C6 | O1 | 17.0° | 0.0° |
| C3 | N1 | C6 | C7 | 162.6° | 180.0° |
| C3 | N1 | C4 | H7 | 61.1° | 175.0° |
| C3 | N1 | C4 | H8 | 179.0° | 64.5° |
| N1 | C3 | C2 | H3 | 173.5° | 70.3° |
| N1 | C3 | C2 | H4 | 67.0° | 169.2° |
| N1 | C3 | H5 | H6 | 119.7° | 120.4° |
| N1 | C4 | C5 | H7 | 120.0° | 119.8° |
| N1 | C4 | C5 | H8 | 120.1° | 119.8° |
| N1 | C4 | C5 | N | 55.8° | 49.5° |
| C4 | N1 | C6 | O1 | 162.5° | 179.7° |
| C4 | N1 | C6 | C7 | 17.9° | 0.3° |
| N1 | C4 | H7 | H8 | 119.8° | 120.5° |
| N1 | C4 | C5 | H9 | 176.0° | 70.3° |
| N1 | C4 | C5 | H10 | 64.3° | 169.2° |
| C4 | N1 | C3 | H5 | 62.7° | 64.5° |
| C4 | N1 | C3 | H6 | 177.5° | 175.0° |
| C4 | C5 | N | H9 | 120.1° | 119.8° |
| C4 | C5 | N | H10 | 120.1° | 119.7° |
| C5 | C4 | N1 | C6 | 120.7° | 124.5° |
| C5 | C4 | H7 | H8 | 119.8° | 120.4° |
| C4 | C5 | H9 | H10 | 119.6° | 120.4° |
| N | C5 | C4 | H7 | 64.2° | 169.2° |
| N | C5 | C4 | H8 | 175.9° | 70.3° |
| N | C5 | H9 | H10 | 119.6° | 120.4° |
| C5 | N | C2 | H3 | 173.4° | 64.4° |
| C5 | N | C2 | H4 | 67.1° | 175.1° |
| N1 | C6 | O1 | C7 | 179.6° | 180.0° |
| C6 | N1 | C4 | H7 | 119.3° | 4.8° |
| C6 | N1 | C4 | H8 | 0.6° | 115.8° |
| N1 | C6 | C7 | H13 | 179.6° | 60.0° |
| N1 | C6 | C7 | H12 | 60.4° | 180.0° |
| N1 | C6 | C7 | H11 | 59.6° | 60.0° |
| C6 | N1 | C3 | H5 | 117.7° | 115.7° |
| C6 | N1 | C3 | H6 | 2.1° | 4.7° |
| O1 | C6 | C7 | H13 | 0.0° | 120.0° |
| O1 | C6 | C7 | H12 | 120.0° | 0.0° |
| O1 | C6 | C7 | H11 | 120.0° | 120.0° |
| C6 | C7 | H13 | H12 | 120.0° | 120.0° |
| C6 | C7 | H13 | H11 | 120.0° | 120.1° |
| C6 | C7 | H12 | H11 | 120.0° | 120.0° |
| H7 | C4 | C5 | H9 | 55.9° | 49.4° |
| H7 | C4 | C5 | H10 | 175.6° | 71.1° |
| H8 | C4 | C5 | H9 | 64.0° | 169.9° |
| H8 | C4 | C5 | H10 | 55.8° | 49.4° |
| H13 | C7 | H12 | H11 | 120.0° | 119.9° |
| H2 | C | H | H1 | 120.0° | 120.0° |
| H3 | C2 | C3 | H5 | 53.4° | 169.9° |
| H3 | C2 | C3 | H6 | 66.5° | 49.4° |
| H4 | C2 | C3 | H5 | 172.9° | 49.5° |
| H4 | C2 | C3 | H6 | 53.1° | 71.0° |
