4OX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | HC81 | sing | 1.09Å | 1.12Å | |
| C8 | HC82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.11Å | |
| C10 | OT1 | sing | 1.34Å | 1.28Å | |
| C10 | OT2 | doub | 1.21Å | 1.28Å | |
| OT1 | HT1 | sing | 0.97Å | 0.95Å | |
| O1 | C1 | doub | 1.21Å | 1.28Å | |
| C1 | OH1 | sing | 1.34Å | 1.28Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| OH1 | HH1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | HC21 | sing | 1.09Å | 1.11Å | |
| C2 | HC22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | HC31 | sing | 1.09Å | 1.12Å | |
| C3 | HC32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | O4L | doub | 1.21Å | 1.28Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | HC51 | sing | 1.09Å | 1.11Å | |
| C5 | HC52 | sing | 1.09Å | 1.12Å | |
| C6 | HC61 | sing | 1.09Å | 1.12Å | |
| C6 | HC62 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 110.4° | 109.6° |
| C8 | C7 | HC71 | 111.9° | 109.4° |
| C8 | C7 | HC72 | 111.8° | 109.4° |
| C7 | C8 | C9 | 111.6° | 109.5° |
| C7 | C8 | HC81 | 111.4° | 109.5° |
| C7 | C8 | HC82 | 111.4° | 109.5° |
| C6 | C7 | HC71 | 111.8° | 109.4° |
| C6 | C7 | HC72 | 111.8° | 109.4° |
| C7 | C6 | C5 | 112.3° | 109.5° |
| C7 | C6 | HC61 | 111.2° | 109.5° |
| C7 | C6 | HC62 | 111.2° | 109.5° |
| HC71 | C7 | HC72 | 98.6° | 109.5° |
| C9 | C8 | HC81 | 111.4° | 109.5° |
| C9 | C8 | HC82 | 111.4° | 109.5° |
| C8 | C9 | C10 | 113.5° | 109.5° |
| C8 | C9 | HC91 | 110.7° | 109.5° |
| C8 | C9 | HC92 | 110.7° | 109.5° |
| HC81 | C8 | HC82 | 98.9° | 109.4° |
| C10 | C9 | HC91 | 110.8° | 109.5° |
| C10 | C9 | HC92 | 110.7° | 109.5° |
| C9 | C10 | OT1 | 119.0° | 120.1° |
| C9 | C10 | OT2 | 119.1° | 120.0° |
| HC91 | C9 | HC92 | 99.6° | 109.4° |
| OT1 | C10 | OT2 | 121.9° | 120.0° |
| C10 | OT1 | HT1 | 119.0° | 120.1° |
| O1 | C1 | OH1 | 121.5° | 120.0° |
| O1 | C1 | C2 | 119.3° | 120.0° |
| OH1 | C1 | C2 | 119.2° | 120.0° |
| C1 | OH1 | HH1 | 121.5° | 120.0° |
| C1 | C2 | C3 | 113.4° | 109.5° |
| C1 | C2 | HC21 | 110.8° | 109.5° |
| C1 | C2 | HC22 | 110.8° | 109.5° |
| C3 | C2 | HC21 | 110.7° | 109.5° |
| C3 | C2 | HC22 | 110.7° | 109.5° |
| C2 | C3 | C4 | 106.9° | 109.5° |
| C2 | C3 | HC31 | 113.2° | 109.5° |
| C2 | C3 | HC32 | 113.2° | 109.5° |
| HC21 | C2 | HC22 | 99.5° | 109.5° |
| C4 | C3 | HC31 | 113.2° | 109.5° |
| C4 | C3 | HC32 | 113.2° | 109.5° |
| C3 | C4 | C5 | 113.0° | 120.1° |
| C3 | C4 | O4L | 119.1° | 120.0° |
| HC31 | C3 | HC32 | 97.3° | 109.4° |
| C5 | C4 | O4L | 127.7° | 120.0° |
| C4 | C5 | C6 | 114.2° | 109.5° |
| C4 | C5 | HC51 | 110.5° | 109.4° |
| C4 | C5 | HC52 | 110.5° | 109.4° |
| C6 | C5 | HC51 | 110.5° | 109.5° |
| C6 | C5 | HC52 | 110.5° | 109.5° |
| C5 | C6 | HC61 | 111.2° | 109.5° |
| C5 | C6 | HC62 | 111.1° | 109.5° |
| HC51 | C5 | HC52 | 99.8° | 109.5° |
| HC61 | C6 | HC62 | 99.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | HC71 | 125.3° | 120.0° |
| C8 | C7 | C6 | HC72 | 125.2° | 120.0° |
| C8 | C7 | HC71 | HC72 | 117.8° | 120.0° |
| C7 | C8 | C9 | HC81 | 125.2° | 120.0° |
| C7 | C8 | C9 | HC82 | 125.3° | 120.0° |
| C7 | C8 | HC81 | HC82 | 117.3° | 119.9° |
| C7 | C8 | C9 | C10 | 133.7° | 180.0° |
| C7 | C8 | C9 | HC91 | 8.4° | 60.0° |
| C7 | C8 | C9 | HC92 | 101.1° | 60.0° |
| C8 | C7 | C6 | C5 | 116.7° | 180.0° |
| C8 | C7 | C6 | HC61 | 118.0° | 60.0° |
| C8 | C7 | C6 | HC62 | 8.6° | 60.0° |
| C6 | C7 | HC71 | HC72 | 117.8° | 120.0° |
| C6 | C7 | C8 | C9 | 94.2° | 180.0° |
| C6 | C7 | C8 | HC81 | 31.1° | 60.0° |
| C6 | C7 | C8 | HC82 | 140.6° | 60.0° |
| C7 | C6 | C5 | C4 | 40.5° | 180.0° |
| C7 | C6 | C5 | HC61 | 125.3° | 120.0° |
| C7 | C6 | C5 | HC62 | 125.3° | 120.0° |
| C7 | C6 | C5 | HC51 | 84.8° | 60.0° |
| C7 | C6 | C5 | HC52 | 165.8° | 60.0° |
| C7 | C6 | HC61 | HC62 | 117.1° | 120.0° |
| HC71 | C7 | C8 | C9 | 31.1° | 60.0° |
| HC71 | C7 | C8 | HC81 | 156.3° | 180.0° |
| HC71 | C7 | C8 | HC82 | 94.2° | 60.0° |
| HC71 | C7 | C6 | C5 | 8.6° | 60.0° |
| HC71 | C7 | C6 | HC61 | 116.7° | 180.0° |
| HC71 | C7 | C6 | HC62 | 133.8° | 60.0° |
| HC72 | C7 | C8 | C9 | 140.6° | 60.0° |
| HC72 | C7 | C8 | HC81 | 94.2° | 60.0° |
| HC72 | C7 | C8 | HC82 | 15.3° | 180.0° |
| HC72 | C7 | C6 | C5 | 118.1° | 60.0° |
| HC72 | C7 | C6 | HC61 | 7.2° | 60.0° |
| HC72 | C7 | C6 | HC62 | 116.7° | 180.0° |
| C9 | C8 | HC81 | HC82 | 117.3° | 120.0° |
| C8 | C9 | C10 | HC91 | 125.2° | 120.0° |
| C8 | C9 | C10 | HC92 | 125.3° | 120.0° |
| C8 | C9 | HC91 | HC92 | 116.6° | 120.0° |
| C8 | C9 | C10 | OT1 | 96.3° | 180.0° |
| C8 | C9 | C10 | OT2 | 84.0° | 0.0° |
| HC81 | C8 | C9 | C10 | 101.1° | 60.0° |
| HC81 | C8 | C9 | HC91 | 133.7° | 180.0° |
| HC81 | C8 | C9 | HC92 | 24.2° | 60.1° |
| HC82 | C8 | C9 | C10 | 8.4° | 60.0° |
| HC82 | C8 | C9 | HC91 | 116.8° | 60.1° |
| HC82 | C8 | C9 | HC92 | 133.7° | 180.0° |
| C10 | C9 | HC91 | HC92 | 116.6° | 120.0° |
| C9 | C10 | OT1 | OT2 | 179.7° | 180.0° |
| C9 | C10 | OT1 | HT1 | 180.0° | 180.0° |
| HC91 | C9 | C10 | OT1 | 138.4° | 60.0° |
| HC91 | C9 | C10 | OT2 | 41.3° | 120.0° |
| HC92 | C9 | C10 | OT1 | 28.9° | 60.0° |
| HC92 | C9 | C10 | OT2 | 150.8° | 120.0° |
| OT2 | C10 | OT1 | HT1 | 0.3° | 0.0° |
| O1 | C1 | OH1 | C2 | 179.9° | 180.0° |
| O1 | C1 | OH1 | HH1 | 180.0° | 0.0° |
| O1 | C1 | C2 | C3 | 110.0° | 0.0° |
| O1 | C1 | C2 | HC21 | 124.8° | 120.0° |
| O1 | C1 | C2 | HC22 | 15.3° | 120.0° |
| OH1 | C1 | C2 | C3 | 69.9° | 180.0° |
| OH1 | C1 | C2 | HC21 | 55.3° | 60.0° |
| OH1 | C1 | C2 | HC22 | 164.8° | 60.0° |
| C2 | C1 | OH1 | HH1 | 0.1° | 180.0° |
| C1 | C2 | C3 | HC21 | 125.3° | 120.0° |
| C1 | C2 | C3 | HC22 | 125.3° | 120.0° |
| C1 | C2 | HC21 | HC22 | 116.6° | 120.0° |
| C1 | C2 | C3 | C4 | 160.2° | 180.0° |
| C1 | C2 | C3 | HC31 | 74.6° | 60.0° |
| C1 | C2 | C3 | HC32 | 34.9° | 60.0° |
| C3 | C2 | HC21 | HC22 | 116.6° | 120.0° |
| C2 | C3 | C4 | HC31 | 125.3° | 120.0° |
| C2 | C3 | C4 | HC32 | 125.2° | 120.0° |
| C2 | C3 | HC31 | HC32 | 119.1° | 120.0° |
| C2 | C3 | C4 | C5 | 111.6° | 180.0° |
| C2 | C3 | C4 | O4L | 64.4° | 0.0° |
| HC21 | C2 | C3 | C4 | 34.9° | 60.0° |
| HC21 | C2 | C3 | HC31 | 160.1° | 180.0° |
| HC21 | C2 | C3 | HC32 | 90.4° | 60.0° |
| HC22 | C2 | C3 | C4 | 74.6° | 60.0° |
| HC22 | C2 | C3 | HC31 | 50.7° | 60.0° |
| HC22 | C2 | C3 | HC32 | 160.2° | 180.0° |
| C4 | C3 | HC31 | HC32 | 119.1° | 119.9° |
| C3 | C4 | C5 | O4L | 175.6° | 180.0° |
| C3 | C4 | C5 | C6 | 99.3° | 180.0° |
| C3 | C4 | C5 | HC51 | 25.9° | 60.0° |
| C3 | C4 | C5 | HC52 | 135.4° | 60.0° |
| HC31 | C3 | C4 | C5 | 13.6° | 60.0° |
| HC31 | C3 | C4 | O4L | 170.3° | 120.0° |
| HC32 | C3 | C4 | C5 | 123.1° | 60.0° |
| HC32 | C3 | C4 | O4L | 60.8° | 120.0° |
| C4 | C5 | C6 | HC51 | 125.2° | 120.0° |
| C4 | C5 | C6 | HC52 | 125.3° | 120.0° |
| C4 | C5 | HC51 | HC52 | 116.3° | 120.0° |
| C4 | C5 | C6 | HC61 | 165.8° | 60.0° |
| C4 | C5 | C6 | HC62 | 84.8° | 60.0° |
| O4L | C4 | C5 | C6 | 85.1° | 0.0° |
| O4L | C4 | C5 | HC51 | 149.7° | 120.0° |
| O4L | C4 | C5 | HC52 | 40.2° | 120.0° |
| C6 | C5 | HC51 | HC52 | 116.3° | 120.0° |
| C5 | C6 | HC61 | HC62 | 117.0° | 120.0° |
| HC51 | C5 | C6 | HC61 | 40.5° | 180.0° |
| HC51 | C5 | C6 | HC62 | 150.0° | 60.0° |
| HC52 | C5 | C6 | HC61 | 69.0° | 60.0° |
| HC52 | C5 | C6 | HC62 | 40.5° | 180.0° |
