T9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | N2 | sing | 1.35Å | 1.32Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.31Å | 1.31Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O1 | 121.2° | 120.0° |
| C1 | C2 | N1 | 116.9° | 120.0° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| O1 | C2 | N1 | 121.9° | 119.9° |
| C2 | N1 | C3 | 121.8° | 120.0° |
| C2 | N1 | H4 | 119.1° | 119.9° |
| N1 | C3 | C4 | 111.1° | 109.5° |
| N1 | C3 | C6 | 115.5° | 109.5° |
| C3 | N1 | H4 | 119.1° | 120.0° |
| N1 | C3 | H5 | 106.9° | 109.5° |
| C3 | C4 | C5 | 111.3° | 109.5° |
| C4 | C3 | C6 | 110.6° | 109.5° |
| C3 | C4 | H6 | 109.0° | 109.5° |
| C3 | C4 | H7 | 109.0° | 109.5° |
| C4 | C3 | H5 | 106.0° | 109.4° |
| C4 | C5 | N2 | 117.0° | 120.0° |
| C4 | C5 | O2 | 120.5° | 120.0° |
| C5 | C4 | H6 | 109.0° | 109.5° |
| C5 | C4 | H7 | 109.0° | 109.4° |
| N2 | C5 | O2 | 122.5° | 120.0° |
| C5 | N2 | H8 | 120.0° | 120.0° |
| C5 | N2 | H9 | 120.0° | 120.0° |
| C3 | C6 | O3 | 118.5° | 120.0° |
| C3 | C6 | N3 | 119.8° | 120.0° |
| C6 | C3 | H5 | 106.0° | 109.4° |
| O3 | C6 | N3 | 121.7° | 120.0° |
| C6 | N3 | C7 | 122.8° | 120.0° |
| C6 | N3 | H10 | 118.6° | 120.0° |
| N3 | C7 | C8 | 113.8° | 109.5° |
| C7 | N3 | H10 | 118.6° | 120.0° |
| N3 | C7 | H12 | 108.4° | 109.5° |
| N3 | C7 | H11 | 108.4° | 109.4° |
| C7 | C8 | C9 | 116.7° | 120.0° |
| C8 | C7 | H12 | 108.4° | 109.5° |
| C8 | C7 | H11 | 108.4° | 109.5° |
| C7 | C8 | H13 | 121.7° | 120.0° |
| C9 | C8 | H13 | 121.6° | 120.0° |
| C8 | C9 | H15 | 120.0° | 120.0° |
| C8 | C9 | H14 | 120.0° | 120.0° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H12 | C7 | H11 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H15 | C9 | H14 | 120.0° | 120.0° |
| H8 | N2 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O1 | N1 | 178.9° | 180.0° |
| C1 | C2 | N1 | C3 | 176.4° | 180.0° |
| C1 | C2 | N1 | H4 | 3.6° | 0.3° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| O1 | C2 | N1 | C3 | 4.6° | 0.0° |
| O1 | C2 | N1 | H4 | 175.3° | 179.7° |
| O1 | C2 | C1 | H2 | 0.0° | 0.1° |
| O1 | C2 | C1 | H3 | 120.0° | 120.0° |
| O1 | C2 | C1 | H1 | 120.0° | 120.0° |
| C2 | N1 | C3 | H4 | 180.0° | 179.7° |
| C2 | N1 | C3 | C4 | 92.1° | 60.3° |
| C2 | N1 | C3 | C6 | 140.8° | 59.7° |
| N1 | C2 | C1 | H2 | 178.9° | 180.0° |
| N1 | C2 | C1 | H3 | 58.9° | 60.0° |
| N1 | C2 | C1 | H1 | 61.0° | 60.0° |
| C2 | N1 | C3 | H5 | 23.2° | 179.7° |
| N1 | C3 | C4 | C6 | 129.7° | 120.0° |
| N1 | C3 | C4 | H5 | 115.8° | 120.0° |
| N1 | C3 | C4 | C5 | 34.4° | 65.0° |
| N1 | C3 | C6 | H5 | 118.1° | 120.0° |
| N1 | C3 | C6 | O3 | 178.1° | 20.0° |
| N1 | C3 | C6 | N3 | 1.2° | 160.0° |
| N1 | C3 | C4 | H6 | 154.7° | 175.0° |
| N1 | C3 | C4 | H7 | 85.9° | 55.0° |
| C3 | C4 | C5 | H6 | 120.3° | 120.0° |
| C3 | C4 | C5 | H7 | 120.3° | 120.0° |
| C3 | C4 | C5 | N2 | 142.8° | 180.0° |
| C3 | C4 | C5 | O2 | 37.4° | 0.0° |
| C4 | C3 | C6 | H5 | 114.5° | 119.9° |
| C4 | C3 | C6 | O3 | 54.6° | 100.0° |
| C4 | C3 | C6 | N3 | 126.2° | 80.0° |
| C4 | C3 | N1 | H4 | 87.9° | 120.0° |
| C3 | C4 | H6 | H7 | 119.2° | 120.0° |
| C4 | C5 | N2 | O2 | 179.9° | 180.0° |
| C5 | C4 | C3 | C6 | 95.3° | 175.0° |
| C5 | C4 | H6 | H7 | 119.2° | 120.0° |
| C5 | C4 | C3 | H5 | 150.2° | 55.1° |
| C4 | C5 | N2 | H8 | 179.9° | 0.0° |
| C4 | C5 | N2 | H9 | 0.1° | 180.0° |
| N2 | C5 | C4 | H6 | 97.0° | 60.0° |
| N2 | C5 | C4 | H7 | 22.5° | 60.0° |
| C5 | N2 | H8 | H9 | 180.0° | 180.0° |
| O2 | C5 | C4 | H6 | 82.9° | 120.0° |
| O2 | C5 | C4 | H7 | 157.7° | 120.0° |
| O2 | C5 | N2 | H8 | 0.0° | 180.0° |
| O2 | C5 | N2 | H9 | 180.0° | 0.0° |
| C3 | C6 | O3 | N3 | 179.2° | 180.0° |
| C3 | C6 | N3 | C7 | 164.5° | 180.0° |
| C6 | C3 | N1 | H4 | 39.2° | 120.0° |
| C3 | C6 | N3 | H10 | 15.5° | 0.1° |
| C6 | C3 | C4 | H6 | 25.0° | 55.0° |
| C6 | C3 | C4 | H7 | 144.4° | 65.1° |
| O3 | C6 | N3 | C7 | 14.7° | 0.0° |
| O3 | C6 | N3 | H10 | 165.3° | 180.0° |
| O3 | C6 | C3 | H5 | 60.0° | 140.0° |
| C6 | N3 | C7 | H10 | 180.0° | 179.9° |
| C6 | N3 | C7 | C8 | 112.8° | 180.0° |
| C6 | N3 | C7 | H12 | 7.8° | 59.9° |
| C6 | N3 | C7 | H11 | 126.5° | 60.0° |
| N3 | C6 | C3 | H5 | 119.3° | 40.0° |
| N3 | C7 | C8 | H12 | 120.6° | 120.0° |
| N3 | C7 | C8 | H11 | 120.6° | 120.0° |
| N3 | C7 | C8 | C9 | 11.3° | 125.0° |
| N3 | C7 | H12 | H11 | 118.0° | 119.9° |
| N3 | C7 | C8 | H13 | 168.7° | 55.0° |
| C7 | C8 | C9 | H13 | 180.0° | 180.0° |
| C8 | C7 | N3 | H10 | 67.2° | 0.1° |
| C8 | C7 | H12 | H11 | 118.0° | 120.0° |
| C7 | C8 | C9 | H15 | 180.0° | 180.0° |
| C7 | C8 | C9 | H14 | 0.0° | 0.0° |
| C9 | C8 | C7 | H12 | 132.0° | 5.0° |
| C9 | C8 | C7 | H11 | 109.3° | 115.0° |
| C8 | C9 | H15 | H14 | 180.0° | 180.0° |
| H4 | N1 | C3 | H5 | 156.8° | 0.0° |
| H10 | N3 | C7 | H12 | 172.2° | 120.0° |
| H10 | N3 | C7 | H11 | 53.5° | 120.1° |
| H6 | C4 | C3 | H5 | 89.5° | 65.0° |
| H7 | C4 | C3 | H5 | 29.9° | 175.0° |
| H12 | C7 | C8 | H13 | 48.0° | 175.0° |
| H11 | C7 | C8 | H13 | 70.7° | 65.0° |
| H13 | C8 | C9 | H15 | 0.0° | 0.0° |
| H13 | C8 | C9 | H14 | 180.0° | 180.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
