12K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | N3 | sing | 1.35Å | 1.33Å | |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | C4 | sing | 1.46Å | 1.48Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | C10 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | 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 | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | OXT | sing | 1.35Å | 198.33Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N3 | 108.2° | 109.5° |
| C5 | C4 | C6 | 107.3° | 109.5° |
| C5 | C4 | C10 | 106.1° | 109.4° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| N3 | C1 | O2 | 123.1° | 120.0° |
| C1 | N3 | C4 | 123.1° | 120.0° |
| C1 | N3 | H1 | 118.5° | 120.0° |
| N3 | C1 | OXT | 18.6° | 120.0° |
| O2 | C1 | OXT | 122.9° | 120.0° |
| N3 | C4 | C6 | 110.0° | 109.5° |
| N3 | C4 | C10 | 115.2° | 109.5° |
| C4 | N3 | H1 | 118.4° | 120.0° |
| C6 | C4 | C10 | 109.8° | 109.4° |
| C4 | C6 | C7 | 110.5° | 109.5° |
| C4 | C6 | H5 | 109.2° | 109.5° |
| C4 | C6 | H6 | 109.2° | 109.5° |
| C4 | C10 | C9 | 111.1° | 109.5° |
| C4 | C10 | H13 | 109.1° | 109.5° |
| C4 | C10 | H14 | 109.1° | 109.4° |
| C6 | C7 | C8 | 110.1° | 109.5° |
| C7 | C6 | H5 | 109.2° | 109.5° |
| C7 | C6 | H6 | 109.2° | 109.5° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C6 | C7 | H8 | 109.3° | 109.5° |
| C7 | C8 | C9 | 111.0° | 109.5° |
| C8 | C7 | H7 | 109.3° | 109.5° |
| C8 | C7 | H8 | 109.3° | 109.5° |
| C7 | C8 | H9 | 109.1° | 109.5° |
| C7 | C8 | H10 | 109.1° | 109.5° |
| C10 | C9 | C8 | 111.0° | 109.4° |
| C10 | C9 | H11 | 109.1° | 109.5° |
| C10 | C9 | H12 | 109.1° | 109.5° |
| C9 | C10 | H13 | 109.0° | 109.5° |
| C9 | C10 | H14 | 109.0° | 109.4° |
| C9 | C8 | H9 | 109.1° | 109.5° |
| C9 | C8 | H10 | 109.1° | 109.4° |
| C8 | C9 | H11 | 109.1° | 109.4° |
| C8 | C9 | H12 | 109.1° | 109.5° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H2 | C5 | H4 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| C1 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N3 | C1 | 70.1° | 60.0° |
| C5 | C4 | N3 | C6 | 116.9° | 120.0° |
| C5 | C4 | N3 | C10 | 118.5° | 120.0° |
| C5 | C4 | C6 | C10 | 114.8° | 119.9° |
| C5 | C4 | C6 | C7 | 172.2° | 179.9° |
| C5 | C4 | C10 | C9 | 171.0° | 180.0° |
| C5 | C4 | N3 | H1 | 109.9° | 120.0° |
| C4 | C5 | H2 | H3 | 120.0° | 120.1° |
| C4 | C5 | H2 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C5 | C4 | C6 | H5 | 67.7° | 60.1° |
| C5 | C4 | C6 | H6 | 52.0° | 60.0° |
| C5 | C4 | C10 | H13 | 50.8° | 59.9° |
| C5 | C4 | C10 | H14 | 68.8° | 60.0° |
| N3 | C1 | O2 | OXT | 22.2° | 179.7° |
| C1 | N3 | C4 | H1 | 180.0° | 179.9° |
| C1 | N3 | C4 | C6 | 173.0° | 180.0° |
| C1 | N3 | C4 | C10 | 48.3° | 60.0° |
| N3 | C1 | OXT | HXT | 90.0° | 180.0° |
| O2 | C1 | N3 | C4 | 1.0° | 0.0° |
| O2 | C1 | N3 | H1 | 179.0° | 180.0° |
| O2 | C1 | OXT | HXT | 90.0° | 0.2° |
| N3 | C4 | C6 | C10 | 127.7° | 120.0° |
| N3 | C4 | C6 | C7 | 70.4° | 60.0° |
| N3 | C4 | C10 | C9 | 69.3° | 59.9° |
| N3 | C4 | C5 | H2 | 180.0° | 59.9° |
| N3 | C4 | C5 | H3 | 60.0° | 180.0° |
| N3 | C4 | C5 | H4 | 60.0° | 60.0° |
| N3 | C4 | C6 | H5 | 49.8° | 60.0° |
| N3 | C4 | C6 | H6 | 169.5° | 180.0° |
| N3 | C4 | C10 | H13 | 170.4° | 180.0° |
| N3 | C4 | C10 | H14 | 50.9° | 60.0° |
| C4 | N3 | C1 | OXT | 94.4° | 179.7° |
| C4 | C6 | C7 | H5 | 120.2° | 120.0° |
| C4 | C6 | C7 | H6 | 120.2° | 120.0° |
| C4 | C6 | C7 | C8 | 59.1° | 60.0° |
| C6 | C4 | C10 | C9 | 55.4° | 60.1° |
| C6 | C4 | N3 | H1 | 7.0° | 0.0° |
| C6 | C4 | C5 | H2 | 61.4° | 179.9° |
| C6 | C4 | C5 | H3 | 58.6° | 60.0° |
| C6 | C4 | C5 | H4 | 178.6° | 60.1° |
| C4 | C6 | H5 | H6 | 119.5° | 120.0° |
| C4 | C6 | C7 | H7 | 60.9° | 60.0° |
| C4 | C6 | C7 | H8 | 179.2° | 180.0° |
| C6 | C4 | C10 | H13 | 64.8° | 60.0° |
| C6 | C4 | C10 | H14 | 175.7° | 180.0° |
| C10 | C4 | C6 | C7 | 57.3° | 60.0° |
| C4 | C10 | C9 | H13 | 120.3° | 120.1° |
| C4 | C10 | C9 | H14 | 120.3° | 119.9° |
| C4 | C10 | C9 | C8 | 55.4° | 60.0° |
| C10 | C4 | N3 | H1 | 131.7° | 119.9° |
| C10 | C4 | C5 | H2 | 55.9° | 60.1° |
| C10 | C4 | C5 | H3 | 175.9° | 60.0° |
| C10 | C4 | C5 | H4 | 64.1° | 180.0° |
| C10 | C4 | C6 | H5 | 177.5° | 180.0° |
| C10 | C4 | C6 | H6 | 62.8° | 60.0° |
| C4 | C10 | C9 | H11 | 175.7° | 59.9° |
| C4 | C10 | C9 | H12 | 64.8° | 180.0° |
| C4 | C10 | H13 | H14 | 119.3° | 120.0° |
| C6 | C7 | C8 | H7 | 120.1° | 120.0° |
| C6 | C7 | C8 | H8 | 120.1° | 120.0° |
| C6 | C7 | C8 | C9 | 58.7° | 60.0° |
| C7 | C6 | H5 | H6 | 119.5° | 120.0° |
| C6 | C7 | H7 | H8 | 119.7° | 120.0° |
| C6 | C7 | C8 | H9 | 179.0° | 180.0° |
| C6 | C7 | C8 | H10 | 61.5° | 60.0° |
| C7 | C8 | C9 | C10 | 56.9° | 60.0° |
| C7 | C8 | C9 | H9 | 120.2° | 120.0° |
| C7 | C8 | C9 | H10 | 120.2° | 120.1° |
| C8 | C7 | C6 | H5 | 179.3° | 180.0° |
| C8 | C7 | C6 | H6 | 61.0° | 60.0° |
| C8 | C7 | H7 | H8 | 119.7° | 120.0° |
| C7 | C8 | H9 | H10 | 119.3° | 120.1° |
| C7 | C8 | C9 | H11 | 177.2° | 60.0° |
| C7 | C8 | C9 | H12 | 63.3° | 180.0° |
| C10 | C9 | C8 | H11 | 120.2° | 120.0° |
| C10 | C9 | C8 | H12 | 120.2° | 120.0° |
| C10 | C9 | C8 | H9 | 177.2° | 180.0° |
| C10 | C9 | C8 | H10 | 63.3° | 60.1° |
| C10 | C9 | H11 | H12 | 119.3° | 120.1° |
| C9 | C10 | H13 | H14 | 119.2° | 120.0° |
| C9 | C8 | C7 | H7 | 61.4° | 60.0° |
| C9 | C8 | C7 | H8 | 178.8° | 180.0° |
| C9 | C8 | H9 | H10 | 119.3° | 119.9° |
| C8 | C9 | H11 | H12 | 119.3° | 120.0° |
| C8 | C9 | C10 | H13 | 64.8° | 60.0° |
| C8 | C9 | C10 | H14 | 175.7° | 180.0° |
| H1 | N3 | C1 | OXT | 85.6° | 0.2° |
| H2 | C5 | H3 | H4 | 120.0° | 119.9° |
| H5 | C6 | C7 | H7 | 59.2° | 60.0° |
| H5 | C6 | C7 | H8 | 60.6° | 60.0° |
| H6 | C6 | C7 | H7 | 178.9° | 180.0° |
| H6 | C6 | C7 | H8 | 59.1° | 60.0° |
| H7 | C7 | C8 | H9 | 58.8° | 60.0° |
| H7 | C7 | C8 | H10 | 178.4° | 180.0° |
| H8 | C7 | C8 | H9 | 61.0° | 60.0° |
| H8 | C7 | C8 | H10 | 58.6° | 60.0° |
| H9 | C8 | C9 | H11 | 62.6° | 60.0° |
| H9 | C8 | C9 | H12 | 56.9° | 60.0° |
| H10 | C8 | C9 | H11 | 56.9° | 179.9° |
| H10 | C8 | C9 | H12 | 176.5° | 59.9° |
| H11 | C9 | C10 | H13 | 55.4° | 180.0° |
| H11 | C9 | C10 | H14 | 64.1° | 60.0° |
| H12 | C9 | C10 | H13 | 175.0° | 59.9° |
| H12 | C9 | C10 | H14 | 55.5° | 60.1° |
