OV3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C7 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O8 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| O6B | C6 | doub | 1.21Å | 1.22Å | |
| C6 | O6A | sing | 1.34Å | 1.22Å | |
| O4 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | N10 | sing | 1.46Å | 1.45Å | |
| N10 | C11 | sing | 1.35Å | 1.33Å | |
| F1 | C12 | sing | 1.40Å | 1.32Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | O13 | doub | 1.21Å | 1.22Å | |
| F2 | C12 | sing | 1.40Å | 1.33Å | |
| C12 | F3 | sing | 1.40Å | 1.32Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O6A | H6 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O8 | H11 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C1 | 112.1° | 109.5° |
| O2 | C2 | C3 | 111.5° | 109.5° |
| O2 | C2 | H2 | 107.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | C7 | 107.5° | 109.5° |
| C1 | C2 | C3 | 112.9° | 109.5° |
| C2 | C1 | H1 | 110.0° | 109.5° |
| C2 | C1 | H13 | 110.0° | 109.4° |
| C1 | C2 | H2 | 106.2° | 109.5° |
| C1 | C7 | O8 | 109.0° | 109.5° |
| C1 | C7 | C5 | 111.6° | 109.5° |
| C7 | C1 | H1 | 110.0° | 109.5° |
| C7 | C1 | H13 | 110.0° | 109.5° |
| C1 | C7 | H9 | 108.6° | 109.5° |
| C2 | C3 | O3 | 112.5° | 109.5° |
| C2 | C3 | C4 | 108.5° | 109.5° |
| C2 | C3 | H3 | 109.0° | 109.5° |
| C3 | C2 | H2 | 106.3° | 109.4° |
| O8 | C7 | C5 | 109.7° | 109.5° |
| O8 | C7 | H9 | 109.7° | 109.4° |
| C7 | O8 | H11 | 109.5° | 114.0° |
| C7 | C5 | C4 | 113.1° | 109.5° |
| C7 | C5 | C6 | 111.2° | 109.5° |
| C5 | C7 | H9 | 108.2° | 109.5° |
| C7 | C5 | H5 | 107.5° | 109.4° |
| O3 | C3 | C4 | 107.7° | 109.5° |
| O3 | C3 | H3 | 110.0° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 110.6° | 109.5° |
| C3 | C4 | O4 | 108.0° | 109.5° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| C4 | C5 | C6 | 109.3° | 109.5° |
| C5 | C4 | O4 | 109.6° | 109.4° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C5 | C6 | O6B | 116.7° | 120.0° |
| C5 | C6 | O6A | 119.4° | 120.0° |
| C6 | C5 | H5 | 107.8° | 109.5° |
| C4 | O4 | C8 | 112.3° | 114.0° |
| O4 | C4 | H4 | 110.5° | 109.5° |
| O6B | C6 | O6A | 123.7° | 120.0° |
| C6 | O6A | H6 | 109.5° | 117.0° |
| O4 | C8 | C9 | 109.4° | 109.5° |
| O4 | C8 | H8 | 109.5° | 109.5° |
| O4 | C8 | H81 | 109.5° | 109.5° |
| C8 | C9 | N10 | 110.7° | 109.5° |
| C9 | C8 | H8 | 109.5° | 109.4° |
| C9 | C8 | H81 | 109.5° | 109.5° |
| C8 | C9 | H91 | 109.1° | 109.4° |
| C8 | C9 | H92 | 109.2° | 109.5° |
| C9 | N10 | C11 | 126.5° | 120.0° |
| N10 | C9 | H91 | 109.2° | 109.5° |
| N10 | C9 | H92 | 109.2° | 109.5° |
| C9 | N10 | HN10 | 116.8° | 120.0° |
| N10 | C11 | C12 | 114.3° | 120.0° |
| N10 | C11 | O13 | 126.9° | 120.0° |
| C11 | N10 | HN10 | 116.8° | 120.0° |
| F1 | C12 | C11 | 112.0° | 109.5° |
| F1 | C12 | F2 | 107.3° | 109.5° |
| F1 | C12 | F3 | 107.8° | 109.5° |
| C12 | C11 | O13 | 118.7° | 120.0° |
| C11 | C12 | F2 | 110.3° | 109.5° |
| C11 | C12 | F3 | 111.0° | 109.4° |
| F2 | C12 | F3 | 108.3° | 109.5° |
| H1 | C1 | H13 | 109.5° | 109.5° |
| H8 | C8 | H81 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C1 | C3 | 126.9° | 120.0° |
| O2 | C2 | C1 | H2 | 117.0° | 120.0° |
| O2 | C2 | C1 | C7 | 172.1° | 180.0° |
| O2 | C2 | C3 | H2 | 116.8° | 120.0° |
| O2 | C2 | C3 | O3 | 52.0° | 60.0° |
| O2 | C2 | C3 | C4 | 171.0° | 180.0° |
| O2 | C2 | C1 | H1 | 52.4° | 60.0° |
| O2 | C2 | C1 | H13 | 68.2° | 60.0° |
| O2 | C2 | C3 | H3 | 70.4° | 60.0° |
| C2 | C1 | C7 | H1 | 119.7° | 120.0° |
| C2 | C1 | C7 | H13 | 119.7° | 120.0° |
| C1 | C2 | C3 | H2 | 116.0° | 120.0° |
| C2 | C1 | C7 | O8 | 66.5° | 60.0° |
| C2 | C1 | C7 | C5 | 54.9° | 60.0° |
| C1 | C2 | C3 | O3 | 179.2° | 180.0° |
| C1 | C2 | C3 | C4 | 61.8° | 60.0° |
| C2 | C1 | H1 | H13 | 120.9° | 120.0° |
| C2 | C1 | C7 | H9 | 174.1° | 179.9° |
| C1 | C2 | C3 | H3 | 56.8° | 60.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C7 | C1 | C2 | C3 | 61.0° | 60.0° |
| C1 | C7 | O8 | C5 | 122.5° | 120.0° |
| C1 | C7 | O8 | H9 | 118.8° | 120.0° |
| C1 | C7 | C5 | H9 | 119.4° | 120.1° |
| C1 | C7 | C5 | C4 | 53.6° | 60.0° |
| C1 | C7 | C5 | C6 | 177.1° | 180.0° |
| C7 | C1 | H1 | H13 | 120.9° | 120.0° |
| C1 | C7 | C5 | H5 | 65.1° | 60.0° |
| C7 | C1 | C2 | H2 | 55.1° | 60.0° |
| C1 | C7 | O8 | H11 | 154.2° | 59.9° |
| C2 | C3 | O3 | C4 | 119.6° | 120.0° |
| C2 | C3 | O3 | H3 | 121.8° | 120.0° |
| C2 | C3 | C4 | H3 | 118.6° | 120.0° |
| C2 | C3 | C4 | C5 | 55.7° | 60.0° |
| C2 | C3 | C4 | O4 | 175.6° | 180.0° |
| C3 | C2 | C1 | H1 | 179.2° | 60.0° |
| C3 | C2 | C1 | H13 | 58.7° | 180.0° |
| C2 | C3 | C4 | H4 | 64.3° | 60.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
| C3 | C2 | O2 | HO2 | 52.4° | 180.0° |
| O8 | C7 | C5 | H9 | 119.6° | 119.9° |
| O8 | C7 | C5 | C4 | 67.4° | 60.0° |
| O8 | C7 | C5 | C6 | 56.2° | 60.0° |
| O8 | C7 | C1 | H1 | 53.2° | 180.0° |
| O8 | C7 | C1 | H13 | 173.8° | 59.9° |
| O8 | C7 | C5 | H5 | 173.9° | 180.0° |
| C7 | C5 | C4 | C3 | 53.2° | 60.0° |
| C7 | C5 | C4 | C6 | 124.5° | 120.0° |
| C7 | C5 | C4 | H5 | 118.6° | 120.0° |
| C7 | C5 | C6 | H5 | 117.6° | 120.0° |
| C7 | C5 | C4 | O4 | 172.1° | 180.0° |
| C7 | C5 | C6 | O6B | 49.9° | 120.0° |
| C7 | C5 | C6 | O6A | 135.8° | 60.0° |
| C5 | C7 | C1 | H1 | 174.6° | 60.0° |
| C5 | C7 | C1 | H13 | 64.8° | 180.0° |
| C7 | C5 | C4 | H4 | 66.8° | 60.0° |
| C5 | C7 | O8 | H11 | 31.6° | 180.0° |
| O3 | C3 | C4 | H3 | 119.3° | 120.0° |
| O3 | C3 | C4 | C5 | 177.8° | 180.0° |
| O3 | C3 | C4 | O4 | 62.3° | 60.0° |
| O3 | C3 | C4 | H4 | 57.8° | 60.0° |
| O3 | C3 | C2 | H2 | 64.8° | 60.0° |
| C3 | C4 | C5 | O4 | 118.9° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 177.7° | 180.0° |
| C3 | C4 | O4 | H4 | 119.3° | 120.0° |
| C3 | C4 | O4 | C8 | 125.8° | 90.0° |
| C3 | C4 | C5 | H5 | 65.4° | 60.0° |
| C4 | C3 | O3 | HO3 | 60.5° | 179.9° |
| C4 | C3 | C2 | H2 | 54.3° | 60.0° |
| C4 | C5 | C6 | H5 | 116.8° | 120.0° |
| C5 | C4 | O4 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | O6B | 75.8° | 0.0° |
| C4 | C5 | C6 | O6A | 98.5° | 180.0° |
| C5 | C4 | O4 | C8 | 113.6° | 150.0° |
| C4 | C5 | C7 | H9 | 173.0° | 180.0° |
| C5 | C4 | C3 | H3 | 62.9° | 60.0° |
| C6 | C5 | C4 | O4 | 63.3° | 60.0° |
| C5 | C6 | O6B | O6A | 174.0° | 180.0° |
| C6 | C5 | C7 | H9 | 63.5° | 60.0° |
| C5 | C6 | O6A | H6 | 173.9° | 180.0° |
| C6 | C5 | C4 | H4 | 57.8° | 60.0° |
| C4 | O4 | C8 | C9 | 157.3° | 180.0° |
| O4 | C4 | C5 | H5 | 53.5° | 60.0° |
| O4 | C4 | C3 | H3 | 57.0° | 60.0° |
| C4 | O4 | C8 | H8 | 82.7° | 60.0° |
| C4 | O4 | C8 | H81 | 37.3° | 60.0° |
| O6B | C6 | C5 | H5 | 167.5° | 120.0° |
| O6B | C6 | O6A | H6 | 0.0° | 0.0° |
| O6A | C6 | C5 | H5 | 18.3° | 59.9° |
| O4 | C8 | C9 | H8 | 120.0° | 120.0° |
| O4 | C8 | C9 | H81 | 120.0° | 120.0° |
| O4 | C8 | C9 | N10 | 58.3° | 65.0° |
| C8 | O4 | C4 | H4 | 6.6° | 30.0° |
| O4 | C8 | H8 | H81 | 120.0° | 120.0° |
| O4 | C8 | C9 | H91 | 178.5° | 175.0° |
| O4 | C8 | C9 | H92 | 62.0° | 55.0° |
| C8 | C9 | N10 | H91 | 120.2° | 120.0° |
| C8 | C9 | N10 | H92 | 120.2° | 120.0° |
| C8 | C9 | N10 | C11 | 144.8° | 180.0° |
| C9 | C8 | H8 | H81 | 120.1° | 120.0° |
| C8 | C9 | H91 | H92 | 119.4° | 120.0° |
| C8 | C9 | N10 | HN10 | 35.2° | 0.0° |
| C9 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C9 | N10 | C11 | C12 | 175.7° | 180.0° |
| C9 | N10 | C11 | O13 | 3.7° | 0.1° |
| N10 | C9 | C8 | H8 | 61.7° | 55.0° |
| N10 | C9 | C8 | H81 | 178.2° | 175.0° |
| N10 | C9 | H91 | H92 | 119.4° | 120.1° |
| N10 | C11 | C12 | F1 | 83.3° | 60.1° |
| N10 | C11 | C12 | O13 | 179.5° | 179.9° |
| N10 | C11 | C12 | F2 | 36.1° | 60.0° |
| N10 | C11 | C12 | F3 | 156.1° | 180.0° |
| C11 | N10 | C9 | H91 | 95.0° | 60.1° |
| C11 | N10 | C9 | H92 | 24.6° | 60.0° |
| F1 | C12 | C11 | F2 | 119.4° | 120.0° |
| F1 | C12 | C11 | F3 | 120.6° | 120.0° |
| F1 | C12 | C11 | O13 | 97.2° | 120.0° |
| F1 | C12 | F2 | F3 | 116.1° | 120.0° |
| C11 | C12 | F2 | F3 | 121.7° | 120.0° |
| C12 | C11 | N10 | HN10 | 4.3° | 0.1° |
| O13 | C11 | C12 | F2 | 143.4° | 120.0° |
| O13 | C11 | C12 | F3 | 23.3° | 0.0° |
| O13 | C11 | N10 | HN10 | 176.3° | 180.0° |
| H1 | C1 | C7 | H9 | 66.2° | 60.0° |
| H1 | C1 | C2 | H2 | 64.6° | 180.0° |
| H13 | C1 | C7 | H9 | 54.4° | 60.0° |
| H13 | C1 | C2 | H2 | 174.8° | 60.0° |
| H9 | C7 | C5 | H5 | 54.3° | 60.1° |
| H9 | C7 | O8 | H11 | 87.1° | 60.0° |
| H5 | C5 | C4 | H4 | 174.6° | 180.0° |
| H4 | C4 | C3 | H3 | 177.2° | 180.0° |
| H3 | C3 | O3 | HO3 | 58.2° | 59.9° |
| H3 | C3 | C2 | H2 | 172.8° | 180.0° |
| H2 | C2 | O2 | HO2 | 63.7° | 60.1° |
| H8 | C8 | C9 | H91 | 58.5° | 65.0° |
| H8 | C8 | C9 | H92 | 178.1° | 175.0° |
| H81 | C8 | C9 | H91 | 61.6° | 55.0° |
| H81 | C8 | C9 | H92 | 58.0° | 65.0° |
| H91 | C9 | N10 | HN10 | 85.0° | 120.0° |
| H92 | C9 | N10 | HN10 | 155.4° | 120.0° |
