A1CCV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C16 | sing | 1.53Å | 1.47Å | |
| C29 | C10 | sing | 1.53Å | 1.54Å | |
| O17 | C16 | sing | 1.43Å | 1.49Å | |
| C16 | C14 | sing | 1.53Å | 1.48Å | |
| C10 | O11 | sing | 1.43Å | 1.47Å | |
| O11 | C12 | sing | 1.43Å | 1.46Å | |
| O15 | C14 | sing | 1.43Å | 1.47Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C10 | O1 | sing | 1.43Å | 1.38Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O17 | H1 | sing | 0.97Å | 0.95Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C29 | C16 | 107.1° | 109.5° |
| O30 | C29 | C10 | 110.8° | 109.5° |
| O30 | C29 | H291 | 109.9° | 109.5° |
| C29 | O30 | H301 | 109.5° | 114.0° |
| C16 | C29 | C10 | 111.1° | 109.2° |
| C29 | C16 | O17 | 113.4° | 109.6° |
| C29 | C16 | C14 | 109.5° | 109.0° |
| C29 | C16 | H161 | 109.3° | 109.5° |
| C16 | C29 | H291 | 109.4° | 109.5° |
| C29 | C10 | O11 | 111.0° | 109.4° |
| C29 | C10 | O1 | 108.4° | 109.5° |
| C29 | C10 | H101 | 108.6° | 109.5° |
| C10 | C29 | H291 | 108.5° | 109.5° |
| O17 | C16 | C14 | 106.2° | 109.6° |
| O17 | C16 | H161 | 109.1° | 109.5° |
| C16 | O17 | H1 | 109.5° | 114.0° |
| C16 | C14 | O15 | 109.5° | 109.6° |
| C16 | C14 | C12 | 117.3° | 109.2° |
| C16 | C14 | H141 | 108.7° | 109.5° |
| C14 | C16 | H161 | 109.2° | 109.6° |
| C10 | O11 | C12 | 107.7° | 114.1° |
| O11 | C10 | O1 | 108.6° | 109.5° |
| O11 | C10 | H101 | 109.5° | 109.5° |
| O11 | C12 | C14 | 116.2° | 109.4° |
| O11 | C12 | C13 | 106.2° | 109.5° |
| O11 | C12 | H121 | 110.6° | 109.5° |
| O15 | C14 | C12 | 104.2° | 109.5° |
| O15 | C14 | H141 | 108.9° | 109.5° |
| C14 | O15 | H151 | 109.5° | 114.0° |
| C14 | C12 | C13 | 103.6° | 109.5° |
| C14 | C12 | H121 | 109.4° | 109.5° |
| C12 | C14 | H141 | 107.9° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.4° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C13 | C12 | H121 | 110.4° | 109.5° |
| O1 | C10 | H101 | 110.7° | 109.5° |
| C10 | O1 | H2 | 109.5° | 114.0° |
| H133 | C13 | H131 | 109.5° | 109.5° |
| H133 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C29 | C16 | C10 | 121.2° | 119.9° |
| O30 | C29 | C16 | H291 | 119.1° | 120.1° |
| O30 | C29 | C10 | H291 | 120.8° | 120.1° |
| O30 | C29 | C16 | O17 | 49.9° | 57.0° |
| O30 | C29 | C16 | C14 | 68.5° | 63.0° |
| O30 | C29 | C10 | O11 | 52.6° | 62.3° |
| O30 | C29 | C10 | O1 | 171.7° | 177.7° |
| O30 | C29 | C10 | H101 | 67.9° | 57.7° |
| O30 | C29 | C16 | H161 | 171.9° | 177.1° |
| C16 | C29 | C10 | H291 | 120.3° | 119.9° |
| C29 | C16 | O17 | C14 | 120.3° | 119.6° |
| C29 | C16 | O17 | H161 | 122.1° | 120.2° |
| C29 | C16 | C14 | H161 | 119.7° | 119.8° |
| C16 | C29 | C10 | O11 | 66.4° | 57.6° |
| C29 | C16 | C14 | O15 | 77.8° | 63.0° |
| C29 | C16 | C14 | C12 | 40.5° | 57.0° |
| C16 | C29 | C10 | O1 | 52.8° | 62.4° |
| C16 | C29 | C10 | H101 | 173.2° | 177.6° |
| C29 | C16 | C14 | H141 | 163.3° | 176.9° |
| C29 | C16 | O17 | H1 | 180.0° | 60.4° |
| C16 | C29 | O30 | H301 | 180.0° | 180.0° |
| C10 | C29 | C16 | O17 | 171.1° | 176.9° |
| C10 | C29 | C16 | C14 | 52.7° | 57.0° |
| C29 | C10 | O11 | O1 | 119.1° | 120.0° |
| C29 | C10 | O11 | H101 | 119.9° | 120.0° |
| C29 | C10 | O11 | C12 | 60.4° | 61.2° |
| C29 | C10 | O1 | H101 | 119.0° | 120.1° |
| C10 | C29 | C16 | H161 | 67.0° | 62.9° |
| C10 | C29 | O30 | H301 | 58.6° | 60.3° |
| C29 | C10 | O1 | H2 | 180.0° | 180.0° |
| O17 | C16 | C14 | H161 | 117.5° | 120.2° |
| O17 | C16 | C14 | O15 | 45.0° | 56.9° |
| O17 | C16 | C14 | C12 | 163.4° | 176.9° |
| O17 | C16 | C14 | H141 | 73.9° | 63.2° |
| O17 | C16 | C29 | H291 | 69.1° | 63.2° |
| C16 | C14 | C12 | O11 | 39.6° | 57.6° |
| C16 | C14 | O15 | C12 | 126.2° | 119.8° |
| C16 | C14 | O15 | H141 | 118.8° | 120.1° |
| C16 | C14 | C12 | H141 | 123.1° | 119.9° |
| C16 | C14 | C12 | C13 | 155.7° | 177.6° |
| C16 | C14 | C12 | H121 | 86.5° | 62.3° |
| C14 | C16 | C29 | H291 | 172.4° | 176.9° |
| C16 | C14 | O15 | H151 | 180.0° | 179.7° |
| C14 | C16 | O17 | H1 | 59.7° | 180.0° |
| C10 | O11 | C12 | C14 | 47.4° | 61.2° |
| C10 | O11 | C12 | C13 | 162.0° | 178.8° |
| O11 | C10 | O1 | H101 | 120.3° | 120.0° |
| C10 | O11 | C12 | H121 | 78.1° | 58.9° |
| O11 | C10 | C29 | H291 | 173.3° | 177.6° |
| O11 | C10 | O1 | H2 | 59.3° | 60.0° |
| O11 | C12 | C14 | O15 | 81.6° | 62.4° |
| O11 | C12 | C14 | C13 | 116.1° | 120.0° |
| O11 | C12 | C14 | H121 | 126.2° | 120.0° |
| O11 | C12 | C13 | H121 | 120.0° | 120.0° |
| C12 | O11 | C10 | O1 | 58.7° | 58.8° |
| C12 | O11 | C10 | H101 | 179.8° | 178.8° |
| O11 | C12 | C13 | H133 | 180.0° | 60.0° |
| O11 | C12 | C13 | H131 | 60.0° | 60.0° |
| O11 | C12 | C13 | H132 | 60.0° | 180.0° |
| O11 | C12 | C14 | H141 | 162.8° | 177.5° |
| O15 | C14 | C12 | H141 | 115.7° | 120.1° |
| O15 | C14 | C12 | C13 | 34.5° | 57.6° |
| O15 | C14 | C12 | H121 | 152.3° | 177.6° |
| O15 | C14 | C16 | H161 | 162.5° | 177.1° |
| C14 | C12 | C13 | H121 | 117.1° | 120.1° |
| C14 | C12 | C13 | H133 | 57.1° | 60.0° |
| C14 | C12 | C13 | H131 | 62.9° | 179.9° |
| C14 | C12 | C13 | H132 | 177.1° | 60.0° |
| C12 | C14 | C16 | H161 | 79.1° | 62.9° |
| C12 | C14 | O15 | H151 | 53.8° | 59.9° |
| C12 | C13 | H133 | H131 | 120.0° | 120.0° |
| C12 | C13 | H133 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C13 | C12 | C14 | H141 | 81.2° | 62.5° |
| O1 | C10 | C29 | H291 | 67.5° | 57.6° |
| H101 | C10 | C29 | H291 | 52.9° | 62.5° |
| H101 | C10 | O1 | H2 | 61.0° | 60.0° |
| H133 | C13 | H131 | H132 | 120.0° | 120.1° |
| H133 | C13 | C12 | H121 | 60.0° | 180.0° |
| H131 | C13 | C12 | H121 | 180.0° | 60.0° |
| H132 | C13 | C12 | H121 | 60.0° | 60.0° |
| H121 | C12 | C14 | H141 | 36.6° | 57.6° |
| H141 | C14 | C16 | H161 | 43.6° | 57.1° |
| H141 | C14 | O15 | H151 | 61.2° | 60.2° |
| H161 | C16 | C29 | H291 | 52.8° | 57.0° |
| H161 | C16 | O17 | H1 | 57.9° | 59.7° |
| H291 | C29 | O30 | H301 | 61.3° | 59.9° |
