0DN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C7 | doub | 1.22Å | 1.25Å | |
| N2 | C7 | sing | 1.35Å | 1.36Å | |
| N2 | C6 | sing | 1.35Å | 1.35Å | |
| O4 | C6 | doub | 1.22Å | 1.26Å | |
| C7 | C8 | sing | 1.42Å | 1.49Å | |
| C6 | N1 | sing | 1.35Å | 1.42Å | |
| C8 | C9 | doub | 1.35Å | 1.38Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| N1 | C9 | sing | 1.37Å | 1.35Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | O1 | sing | 1.44Å | 1.41Å | |
| C4 | C3 | sing | 1.55Å | 1.54Å | |
| O1 | C1 | sing | 1.44Å | 1.42Å | |
| C3 | C2 | sing | 1.54Å | 1.52Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C1 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | F1 | sing | 1.40Å | 1.37Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C7 | N2 | 121.1° | 120.3° |
| O3 | C7 | C8 | 119.2° | 120.3° |
| C7 | N2 | C6 | 120.8° | 120.2° |
| N2 | C7 | C8 | 119.7° | 119.4° |
| C7 | N2 | H1 | 119.6° | 119.9° |
| N2 | C6 | O4 | 121.5° | 119.5° |
| N2 | C6 | N1 | 120.3° | 120.9° |
| C6 | N2 | H1 | 119.6° | 119.9° |
| O4 | C6 | N1 | 118.2° | 119.5° |
| C7 | C8 | C9 | 117.7° | 119.1° |
| C7 | C8 | C10 | 122.8° | 120.5° |
| C6 | N1 | C9 | 121.0° | 120.6° |
| C6 | N1 | C4 | 118.2° | 119.7° |
| C9 | C8 | C10 | 119.5° | 120.4° |
| C8 | C9 | N1 | 120.5° | 119.7° |
| C8 | C9 | H5 | 119.8° | 120.2° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | C10 | H3 | 109.4° | 109.5° |
| C8 | C10 | H4 | 109.5° | 109.5° |
| C9 | N1 | C4 | 120.7° | 119.7° |
| N1 | C9 | H5 | 119.7° | 120.1° |
| N1 | C4 | O1 | 106.3° | 110.4° |
| N1 | C4 | C3 | 118.7° | 110.4° |
| N1 | C4 | H6 | 108.3° | 110.3° |
| O1 | C4 | C3 | 106.7° | 104.8° |
| C4 | O1 | C1 | 111.2° | 105.3° |
| O1 | C4 | H6 | 109.1° | 110.4° |
| C4 | C3 | C2 | 103.0° | 104.1° |
| C3 | C4 | H6 | 107.4° | 110.5° |
| C4 | C3 | H7 | 111.1° | 110.5° |
| C4 | C3 | H8 | 111.1° | 110.5° |
| O1 | C1 | C2 | 107.6° | 104.8° |
| O1 | C1 | C5 | 108.9° | 110.4° |
| O1 | C1 | H11 | 109.0° | 110.4° |
| C3 | C2 | O2 | 108.3° | 110.5° |
| C3 | C2 | C1 | 104.5° | 104.0° |
| C2 | C3 | H7 | 111.1° | 110.5° |
| C2 | C3 | H8 | 111.0° | 110.5° |
| C3 | C2 | H9 | 111.5° | 110.6° |
| O2 | C2 | C1 | 107.9° | 110.6° |
| O2 | C2 | H9 | 112.8° | 110.5° |
| C2 | O2 | H10 | 109.5° | 114.0° |
| C2 | C1 | C5 | 116.1° | 110.3° |
| C1 | C2 | H9 | 111.4° | 110.5° |
| C2 | C1 | H11 | 107.5° | 110.4° |
| C1 | C5 | F1 | 110.0° | 109.4° |
| C5 | C1 | H11 | 107.6° | 110.4° |
| C1 | C5 | H12 | 109.3° | 109.5° |
| C1 | C5 | H13 | 109.3° | 109.4° |
| F1 | C5 | H12 | 109.4° | 109.5° |
| F1 | C5 | H13 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.4° |
| H7 | C3 | H8 | 109.5° | 110.6° |
| H12 | C5 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C7 | N2 | C8 | 178.6° | 179.9° |
| O3 | C7 | N2 | C6 | 179.6° | 179.9° |
| O3 | C7 | C8 | C9 | 179.9° | 179.9° |
| O3 | C7 | C8 | C10 | 1.5° | 0.0° |
| O3 | C7 | N2 | H1 | 0.4° | 0.0° |
| C7 | N2 | C6 | H1 | 180.0° | 180.0° |
| C7 | N2 | C6 | O4 | 177.9° | 180.0° |
| C7 | N2 | C6 | N1 | 2.6° | 0.2° |
| N2 | C7 | C8 | C9 | 1.5° | 0.0° |
| N2 | C7 | C8 | C10 | 179.8° | 180.0° |
| N2 | C6 | O4 | N1 | 179.6° | 179.8° |
| C6 | N2 | C7 | C8 | 1.8° | 0.0° |
| N2 | C6 | N1 | C9 | 3.2° | 0.5° |
| N2 | C6 | N1 | C4 | 179.4° | 179.8° |
| O4 | C6 | N1 | C9 | 177.3° | 179.8° |
| O4 | C6 | N1 | C4 | 1.0° | 0.0° |
| O4 | C6 | N2 | H1 | 2.1° | 0.0° |
| C7 | C8 | C9 | C10 | 178.4° | 180.0° |
| C7 | C8 | C9 | N1 | 2.0° | 0.2° |
| C8 | C7 | N2 | H1 | 178.2° | 180.0° |
| C7 | C8 | C10 | H2 | 180.0° | 0.0° |
| C7 | C8 | C10 | H3 | 60.0° | 120.0° |
| C7 | C8 | C10 | H4 | 60.0° | 120.0° |
| C7 | C8 | C9 | H5 | 178.0° | 180.0° |
| C6 | N1 | C9 | C8 | 2.9° | 0.5° |
| C6 | N1 | C9 | C4 | 176.2° | 179.8° |
| C6 | N1 | C4 | O1 | 119.5° | 53.5° |
| C6 | N1 | C4 | C3 | 120.4° | 61.8° |
| N1 | C6 | N2 | H1 | 177.4° | 179.7° |
| C6 | N1 | C9 | H5 | 177.1° | 179.7° |
| C6 | N1 | C4 | H6 | 2.4° | 175.8° |
| C8 | C9 | N1 | H5 | 180.0° | 179.8° |
| C8 | C9 | N1 | C4 | 179.1° | 179.8° |
| C9 | C8 | C10 | H2 | 1.7° | 180.0° |
| C9 | C8 | C10 | H3 | 121.7° | 59.9° |
| C9 | C8 | C10 | H4 | 118.3° | 60.0° |
| C10 | C8 | C9 | N1 | 179.5° | 179.7° |
| C8 | C10 | H2 | H3 | 120.0° | 120.0° |
| C8 | C10 | H2 | H4 | 120.0° | 120.0° |
| C8 | C10 | H3 | H4 | 120.0° | 120.0° |
| C10 | C8 | C9 | H5 | 0.5° | 0.1° |
| C9 | N1 | C4 | O1 | 56.8° | 126.3° |
| C9 | N1 | C4 | C3 | 63.4° | 118.4° |
| C9 | N1 | C4 | H6 | 173.9° | 4.0° |
| N1 | C4 | O1 | C3 | 127.6° | 118.8° |
| N1 | C4 | O1 | H6 | 116.6° | 122.2° |
| N1 | C4 | C3 | H6 | 123.2° | 122.3° |
| N1 | C4 | O1 | C1 | 146.4° | 159.4° |
| N1 | C4 | C3 | C2 | 146.3° | 142.8° |
| C4 | N1 | C9 | H5 | 0.9° | 0.0° |
| N1 | C4 | C3 | H7 | 94.8° | 98.5° |
| N1 | C4 | C3 | H8 | 27.4° | 24.2° |
| O1 | C4 | C3 | H6 | 116.9° | 118.9° |
| O1 | C4 | C3 | C2 | 26.3° | 24.0° |
| C4 | O1 | C1 | C2 | 3.1° | 40.6° |
| C4 | O1 | C1 | C5 | 129.8° | 159.4° |
| O1 | C4 | C3 | H7 | 145.3° | 142.7° |
| O1 | C4 | C3 | H8 | 92.6° | 94.6° |
| C4 | O1 | C1 | H11 | 113.2° | 78.3° |
| C3 | C4 | O1 | C1 | 18.7° | 40.6° |
| C4 | C3 | C2 | H7 | 118.9° | 118.7° |
| C4 | C3 | C2 | H8 | 118.9° | 118.6° |
| C4 | C3 | C2 | O2 | 91.1° | 118.7° |
| C4 | C3 | C2 | C1 | 23.7° | 0.0° |
| C4 | C3 | H7 | H8 | 123.0° | 122.7° |
| C4 | C3 | C2 | H9 | 144.2° | 118.6° |
| O1 | C1 | C2 | C3 | 13.8° | 24.0° |
| O1 | C1 | C2 | O2 | 101.2° | 142.7° |
| O1 | C1 | C2 | C5 | 122.3° | 118.8° |
| O1 | C1 | C2 | H11 | 117.3° | 118.9° |
| O1 | C1 | C5 | H11 | 117.9° | 122.3° |
| O1 | C1 | C5 | F1 | 72.9° | 66.5° |
| C1 | O1 | C4 | H6 | 97.0° | 78.4° |
| O1 | C1 | C2 | H9 | 134.4° | 94.6° |
| O1 | C1 | C5 | H12 | 47.2° | 173.5° |
| O1 | C1 | C5 | H13 | 167.0° | 53.5° |
| C3 | C2 | O2 | C1 | 112.6° | 114.7° |
| C3 | C2 | O2 | H9 | 123.9° | 122.7° |
| C3 | C2 | C1 | H9 | 120.5° | 118.7° |
| C3 | C2 | C1 | C5 | 108.4° | 142.8° |
| C2 | C3 | C4 | H6 | 90.5° | 94.9° |
| C2 | C3 | H7 | H8 | 123.0° | 122.7° |
| C3 | C2 | O2 | H10 | 180.0° | 61.5° |
| C3 | C2 | C1 | H11 | 131.1° | 94.9° |
| O2 | C2 | C1 | H9 | 124.4° | 122.7° |
| O2 | C2 | C1 | C5 | 136.5° | 98.5° |
| O2 | C2 | C3 | H7 | 27.8° | 0.1° |
| O2 | C2 | C3 | H8 | 150.0° | 122.6° |
| O2 | C2 | C1 | H11 | 16.0° | 23.8° |
| C2 | C1 | C5 | H11 | 120.5° | 122.3° |
| C2 | C1 | C5 | F1 | 48.7° | 178.2° |
| C1 | C2 | C3 | H7 | 142.7° | 118.7° |
| C1 | C2 | C3 | H8 | 95.2° | 118.7° |
| C1 | C2 | O2 | H10 | 67.4° | 176.1° |
| C2 | C1 | C5 | H12 | 168.8° | 58.2° |
| C2 | C1 | C5 | H13 | 71.4° | 61.8° |
| C1 | C5 | F1 | H12 | 120.1° | 120.0° |
| C1 | C5 | F1 | H13 | 120.1° | 120.0° |
| C5 | C1 | C2 | H9 | 12.1° | 24.2° |
| C1 | C5 | H12 | H13 | 119.7° | 120.0° |
| F1 | C5 | C1 | H11 | 169.2° | 55.9° |
| F1 | C5 | H12 | H13 | 119.8° | 120.1° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H6 | C4 | C3 | H7 | 28.4° | 23.7° |
| H6 | C4 | C3 | H8 | 150.6° | 146.4° |
| H7 | C3 | C2 | H9 | 96.9° | 122.7° |
| H8 | C3 | C2 | H9 | 25.3° | 0.0° |
| H9 | C2 | O2 | H10 | 56.1° | 61.2° |
| H9 | C2 | C1 | H11 | 108.4° | 146.4° |
| H11 | C1 | C5 | H12 | 70.7° | 64.1° |
| H11 | C1 | C5 | H13 | 49.1° | 175.9° |
