Q7P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| O2 | C9 | doub | 1.22Å | 1.23Å | |
| N2 | C9 | sing | 1.34Å | 1.37Å | |
| N2 | C4 | sing | 1.37Å | 1.36Å | |
| N1 | C4 | sing | 1.36Å | 1.40Å | |
| C9 | N3 | sing | 1.34Å | 1.37Å | |
| C4 | C3 | doub | 1.41Å | 1.40Å | |
| N3 | C10 | sing | 1.35Å | 1.38Å | |
| C3 | N | sing | 1.34Å | 1.39Å | |
| C3 | C10 | sing | 1.47Å | 1.46Å | |
| N | C2 | doub | 1.31Å | 1.28Å | |
| C10 | O3 | doub | 1.22Å | 1.23Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.41Å | 1.51Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å | |
| C1 | O4 | doub | 1.21Å | 1.43Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C8 | C7 | 99.1° | 109.5° |
| O1 | C8 | H14 | 112.0° | 109.5° |
| O1 | C8 | H15 | 112.0° | 109.5° |
| C8 | O1 | H18 | 109.5° | 114.0° |
| C8 | C7 | C6 | 115.1° | 109.5° |
| C8 | C7 | H12 | 108.1° | 109.5° |
| C8 | C7 | H13 | 108.0° | 109.4° |
| C7 | C8 | H14 | 112.0° | 109.5° |
| C7 | C8 | H15 | 112.0° | 109.5° |
| C7 | C6 | C5 | 112.0° | 109.5° |
| C7 | C6 | H10 | 108.8° | 109.5° |
| C7 | C6 | H11 | 108.8° | 109.4° |
| C6 | C7 | H12 | 108.0° | 109.5° |
| C6 | C7 | H13 | 108.0° | 109.5° |
| C6 | C5 | N1 | 111.3° | 109.4° |
| C6 | C5 | H8 | 109.0° | 109.5° |
| C6 | C5 | H9 | 109.0° | 109.4° |
| C5 | C6 | H10 | 108.9° | 109.5° |
| C5 | C6 | H11 | 108.8° | 109.5° |
| C5 | N1 | C4 | 124.3° | 120.0° |
| N1 | C5 | H8 | 109.0° | 109.5° |
| N1 | C5 | H9 | 109.0° | 109.5° |
| C5 | N1 | H16 | 105.6° | 120.0° |
| O2 | C9 | N2 | 122.4° | 118.8° |
| O2 | C9 | N3 | 122.0° | 118.7° |
| C9 | N2 | C4 | 124.3° | 121.3° |
| N2 | C9 | N3 | 115.6° | 122.5° |
| C9 | N2 | H4 | 117.8° | 119.3° |
| N2 | C4 | N1 | 121.3° | 120.5° |
| N2 | C4 | C3 | 118.9° | 118.9° |
| C4 | N2 | H4 | 117.9° | 119.4° |
| N1 | C4 | C3 | 119.8° | 120.5° |
| C4 | N1 | H16 | 105.6° | 120.0° |
| C9 | N3 | C10 | 127.0° | 120.9° |
| C9 | N3 | H17 | 116.5° | 119.6° |
| C4 | C3 | N | 112.2° | 121.1° |
| C4 | C3 | C10 | 120.1° | 117.9° |
| N3 | C10 | C3 | 114.2° | 118.6° |
| N3 | C10 | O3 | 119.4° | 120.7° |
| C10 | N3 | H17 | 116.5° | 119.6° |
| N | C3 | C10 | 127.8° | 121.0° |
| C3 | N | C2 | 120.4° | 120.0° |
| C3 | C10 | O3 | 126.5° | 120.8° |
| N | C2 | C1 | 118.5° | 120.0° |
| N | C2 | H6 | 120.8° | 120.0° |
| C | C1 | C2 | 113.5° | 120.0° |
| C1 | C | H1 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C | C1 | O4 | 113.8° | 120.0° |
| C1 | C2 | H6 | 120.7° | 120.0° |
| C2 | C1 | O4 | 131.1° | 120.0° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.4° |
| H2 | C | H3 | 109.4° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | C7 | H14 | 118.3° | 120.0° |
| O1 | C8 | C7 | H15 | 118.3° | 120.0° |
| O1 | C8 | C7 | C6 | 151.2° | 180.0° |
| O1 | C8 | C7 | H12 | 88.0° | 60.0° |
| O1 | C8 | C7 | H13 | 30.4° | 59.9° |
| O1 | C8 | H14 | H15 | 124.9° | 120.0° |
| C8 | C7 | C6 | H12 | 120.8° | 120.0° |
| C8 | C7 | C6 | H13 | 120.8° | 120.0° |
| C8 | C7 | C6 | C5 | 59.2° | 180.0° |
| C8 | C7 | C6 | H10 | 179.6° | 60.0° |
| C8 | C7 | C6 | H11 | 61.1° | 60.0° |
| C8 | C7 | H12 | H13 | 117.5° | 119.9° |
| C7 | C8 | H14 | H15 | 124.8° | 120.0° |
| C7 | C8 | O1 | H18 | 180.0° | 180.0° |
| C7 | C6 | C5 | H10 | 120.4° | 120.0° |
| C7 | C6 | C5 | H11 | 120.4° | 120.0° |
| C7 | C6 | C5 | N1 | 142.2° | 180.0° |
| C7 | C6 | C5 | H8 | 22.0° | 60.0° |
| C7 | C6 | C5 | H9 | 97.6° | 60.0° |
| C7 | C6 | H10 | H11 | 118.8° | 120.0° |
| C6 | C7 | H12 | H13 | 117.4° | 120.0° |
| C6 | C7 | C8 | H14 | 32.9° | 59.9° |
| C6 | C7 | C8 | H15 | 90.6° | 60.0° |
| C6 | C5 | N1 | H8 | 120.3° | 120.0° |
| C6 | C5 | N1 | H9 | 120.3° | 119.9° |
| C6 | C5 | N1 | C4 | 98.3° | 180.0° |
| C6 | C5 | H8 | H9 | 119.2° | 120.0° |
| C5 | C6 | H10 | H11 | 118.9° | 120.0° |
| C5 | C6 | C7 | H12 | 61.6° | 60.0° |
| C5 | C6 | C7 | H13 | 180.0° | 60.0° |
| C6 | C5 | N1 | H16 | 139.7° | 0.0° |
| C5 | N1 | C4 | N2 | 12.2° | 0.0° |
| C5 | N1 | C4 | H16 | 122.0° | 179.9° |
| C5 | N1 | C4 | C3 | 166.6° | 180.0° |
| N1 | C5 | H8 | H9 | 119.2° | 120.0° |
| N1 | C5 | C6 | H10 | 97.4° | 60.0° |
| N1 | C5 | C6 | H11 | 21.8° | 60.0° |
| O2 | C9 | N2 | N3 | 179.2° | 179.8° |
| O2 | C9 | N2 | C4 | 178.9° | 179.8° |
| O2 | C9 | N3 | C10 | 179.1° | 179.7° |
| O2 | C9 | N3 | H17 | 0.9° | 0.2° |
| O2 | C9 | N2 | H4 | 1.1° | 0.2° |
| C9 | N2 | C4 | H4 | 180.0° | 180.0° |
| C9 | N2 | C4 | N1 | 178.4° | 180.0° |
| C9 | N2 | C4 | C3 | 0.4° | 0.0° |
| N2 | C9 | N3 | C10 | 0.1° | 0.1° |
| N2 | C9 | N3 | H17 | 179.9° | 180.0° |
| N2 | C4 | N1 | C3 | 178.8° | 180.0° |
| C4 | N2 | C9 | N3 | 0.3° | 0.0° |
| N2 | C4 | C3 | N | 179.9° | 179.9° |
| N2 | C4 | C3 | C10 | 0.1° | 0.1° |
| N2 | C4 | N1 | H16 | 134.1° | 179.9° |
| N1 | C4 | C3 | N | 1.1° | 0.1° |
| N1 | C4 | C3 | C10 | 178.7° | 179.9° |
| C4 | N1 | C5 | H8 | 21.9° | 60.0° |
| C4 | N1 | C5 | H9 | 141.4° | 60.1° |
| N1 | C4 | N2 | H4 | 1.6° | 0.0° |
| C9 | N3 | C10 | H17 | 180.0° | 179.9° |
| C9 | N3 | C10 | C3 | 0.1° | 0.0° |
| C9 | N3 | C10 | O3 | 180.0° | 179.9° |
| N3 | C9 | N2 | H4 | 179.7° | 180.0° |
| C4 | C3 | C10 | N3 | 0.1° | 0.0° |
| C4 | C3 | N | C10 | 179.7° | 180.0° |
| C4 | C3 | N | C2 | 179.9° | 132.1° |
| C4 | C3 | C10 | O3 | 179.9° | 180.0° |
| C3 | C4 | N1 | H16 | 44.6° | 0.1° |
| C3 | C4 | N2 | H4 | 179.7° | 180.0° |
| N3 | C10 | C3 | N | 179.6° | 180.0° |
| N3 | C10 | C3 | O3 | 179.9° | 180.0° |
| N | C3 | C10 | O3 | 0.2° | 0.0° |
| C3 | N | C2 | C1 | 179.8° | 174.7° |
| C3 | N | C2 | H6 | 0.2° | 5.3° |
| C10 | C3 | N | C2 | 0.2° | 47.9° |
| C3 | C10 | N3 | H17 | 179.9° | 179.9° |
| N | C2 | C1 | C | 11.8° | 180.0° |
| N | C2 | C1 | H6 | 180.0° | 180.0° |
| N | C2 | C1 | O4 | 175.9° | 0.0° |
| O3 | C10 | N3 | H17 | 0.0° | 0.0° |
| C | C1 | C2 | O4 | 164.1° | 179.9° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 119.9° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C | C1 | C2 | H6 | 168.2° | 0.1° |
| C2 | C1 | C | H1 | 167.0° | 90.1° |
| C2 | C1 | C | H2 | 46.9° | 30.0° |
| C2 | C1 | C | H3 | 73.0° | 150.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H1 | C | C1 | O4 | 0.0° | 90.0° |
| H2 | C | C1 | O4 | 120.0° | 149.9° |
| H3 | C | C1 | O4 | 120.0° | 29.9° |
| H6 | C2 | C1 | O4 | 4.1° | 180.0° |
| H8 | C5 | C6 | H10 | 142.3° | 60.0° |
| H8 | C5 | C6 | H11 | 98.4° | 180.0° |
| H8 | C5 | N1 | H16 | 100.1° | 119.9° |
| H9 | C5 | C6 | H10 | 22.8° | 179.9° |
| H9 | C5 | C6 | H11 | 142.1° | 59.9° |
| H9 | C5 | N1 | H16 | 19.4° | 120.0° |
| H10 | C6 | C7 | H12 | 58.8° | 180.0° |
| H10 | C6 | C7 | H13 | 59.6° | 60.0° |
| H11 | C6 | C7 | H12 | 178.0° | 60.0° |
| H11 | C6 | C7 | H13 | 59.7° | 180.0° |
| H12 | C7 | C8 | H14 | 153.7° | 180.0° |
| H12 | C7 | C8 | H15 | 30.3° | 60.1° |
| H13 | C7 | C8 | H14 | 87.9° | 60.1° |
| H13 | C7 | C8 | H15 | 148.7° | 180.0° |
| H14 | C8 | O1 | H18 | 61.7° | 59.9° |
| H15 | C8 | O1 | H18 | 61.7° | 60.0° |
