A1AVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | sing | 1.43Å | 1.41Å | |
| O10 | C09 | sing | 1.43Å | 1.40Å | |
| C09 | C11 | sing | 1.53Å | 1.53Å | |
| C09 | C07 | sing | 1.53Å | 1.53Å | |
| C13 | C05 | sing | 1.53Å | 1.52Å | |
| O12 | C11 | sing | 1.43Å | 1.40Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C07 | O08 | sing | 1.43Å | 1.40Å | |
| C05 | N04 | sing | 1.47Å | 1.46Å | |
| N04 | C02 | sing | 1.35Å | 1.46Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | O03 | doub | 1.21Å | 1.19Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| N04 | H13 | sing | 0.97Å | 1.00Å | |
| O08 | H14 | sing | 0.97Å | 0.95Å | |
| O10 | H15 | sing | 0.97Å | 0.95Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å | |
| O14 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C13 | C05 | 105.1° | 109.5° |
| O14 | C13 | H11 | 110.5° | 109.5° |
| O14 | C13 | H12 | 110.5° | 109.5° |
| C13 | O14 | H17 | 109.5° | 114.1° |
| O10 | C09 | C11 | 109.7° | 109.5° |
| O10 | C09 | C07 | 109.9° | 109.5° |
| O10 | C09 | H8 | 110.0° | 109.4° |
| C09 | O10 | H15 | 109.5° | 114.0° |
| C11 | C09 | C07 | 110.5° | 109.5° |
| C09 | C11 | O12 | 109.5° | 109.5° |
| C11 | C09 | H8 | 108.3° | 109.5° |
| C09 | C11 | H9 | 109.5° | 109.5° |
| C09 | C11 | H10 | 109.5° | 109.5° |
| C09 | C07 | C06 | 108.4° | 109.5° |
| C09 | C07 | O08 | 109.5° | 109.5° |
| C09 | C07 | H7 | 108.9° | 109.5° |
| C07 | C09 | H8 | 108.3° | 109.4° |
| C13 | C05 | C06 | 102.4° | 109.5° |
| C13 | C05 | N04 | 107.1° | 109.5° |
| C13 | C05 | H4 | 112.0° | 109.5° |
| C05 | C13 | H11 | 110.6° | 109.5° |
| C05 | C13 | H12 | 110.6° | 109.5° |
| O12 | C11 | H9 | 109.5° | 109.4° |
| O12 | C11 | H10 | 109.5° | 109.4° |
| C11 | O12 | H16 | 109.5° | 114.0° |
| C07 | C06 | C05 | 116.7° | 109.5° |
| C06 | C07 | O08 | 110.1° | 109.5° |
| C07 | C06 | H5 | 107.7° | 109.5° |
| C07 | C06 | H6 | 107.6° | 109.4° |
| C06 | C07 | H7 | 109.0° | 109.4° |
| C06 | C05 | N04 | 110.0° | 109.4° |
| C06 | C05 | H4 | 111.8° | 109.5° |
| C05 | C06 | H5 | 107.6° | 109.4° |
| C05 | C06 | H6 | 107.6° | 109.5° |
| O08 | C07 | H7 | 110.8° | 109.5° |
| C07 | O08 | H14 | 109.5° | 114.0° |
| C05 | N04 | C02 | 124.4° | 120.0° |
| N04 | C05 | H4 | 113.0° | 109.5° |
| C05 | N04 | H13 | 117.8° | 120.0° |
| N04 | C02 | C01 | 118.2° | 120.0° |
| N04 | C02 | O03 | 121.8° | 120.1° |
| C02 | N04 | H13 | 117.8° | 120.0° |
| C01 | C02 | O03 | 120.0° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | C05 | H11 | 119.3° | 120.0° |
| O14 | C13 | C05 | H12 | 119.3° | 120.0° |
| O14 | C13 | C05 | C06 | 49.0° | 55.0° |
| O14 | C13 | C05 | N04 | 66.7° | 65.0° |
| O14 | C13 | C05 | H4 | 168.9° | 175.0° |
| O14 | C13 | H11 | H12 | 122.0° | 119.9° |
| O10 | C09 | C11 | C07 | 121.4° | 120.0° |
| O10 | C09 | C11 | H8 | 120.1° | 120.0° |
| O10 | C09 | C07 | H8 | 120.2° | 120.0° |
| O10 | C09 | C11 | O12 | 151.7° | 65.0° |
| O10 | C09 | C07 | C06 | 115.5° | 59.9° |
| O10 | C09 | C07 | O08 | 124.3° | 180.0° |
| O10 | C09 | C07 | H7 | 3.0° | 60.0° |
| O10 | C09 | C11 | H9 | 88.2° | 175.0° |
| O10 | C09 | C11 | H10 | 31.8° | 55.0° |
| C11 | C09 | C07 | H8 | 118.5° | 120.0° |
| C09 | C11 | O12 | H9 | 120.0° | 120.1° |
| C09 | C11 | O12 | H10 | 120.0° | 120.0° |
| C11 | C09 | C07 | C06 | 123.3° | 180.0° |
| C11 | C09 | C07 | O08 | 3.1° | 60.0° |
| C11 | C09 | C07 | H7 | 118.2° | 60.1° |
| C09 | C11 | H9 | H10 | 120.0° | 120.0° |
| C11 | C09 | O10 | H15 | 180.0° | 60.0° |
| C09 | C11 | O12 | H16 | 180.0° | 180.0° |
| C07 | C09 | C11 | O12 | 86.9° | 175.0° |
| C09 | C07 | C06 | O08 | 119.8° | 120.1° |
| C09 | C07 | C06 | H7 | 118.5° | 120.0° |
| C09 | C07 | C06 | C05 | 157.7° | 175.0° |
| C09 | C07 | O08 | H7 | 120.2° | 120.1° |
| C09 | C07 | C06 | H5 | 36.7° | 55.0° |
| C09 | C07 | C06 | H6 | 81.3° | 65.1° |
| C07 | C09 | C11 | H9 | 33.1° | 55.0° |
| C07 | C09 | C11 | H10 | 153.1° | 65.0° |
| C09 | C07 | O08 | H14 | 180.0° | 60.0° |
| C07 | C09 | O10 | H15 | 58.2° | 60.0° |
| C13 | C05 | C06 | C07 | 165.1° | 175.0° |
| C13 | C05 | C06 | N04 | 113.6° | 120.0° |
| C13 | C05 | C06 | H4 | 120.0° | 120.0° |
| C13 | C05 | N04 | H4 | 123.7° | 120.0° |
| C13 | C05 | N04 | C02 | 131.5° | 85.0° |
| C13 | C05 | C06 | H5 | 73.8° | 55.0° |
| C13 | C05 | C06 | H6 | 44.1° | 65.0° |
| C05 | C13 | H11 | H12 | 122.0° | 120.0° |
| C13 | C05 | N04 | H13 | 48.5° | 95.0° |
| C05 | C13 | O14 | H17 | 180.0° | 179.9° |
| O12 | C11 | C09 | H8 | 31.6° | 55.0° |
| O12 | C11 | H9 | H10 | 120.0° | 119.9° |
| C07 | C06 | C05 | H5 | 121.1° | 120.0° |
| C07 | C06 | C05 | H6 | 121.0° | 119.9° |
| C06 | C07 | O08 | H7 | 120.7° | 119.9° |
| C07 | C06 | C05 | N04 | 81.3° | 65.0° |
| C07 | C06 | C05 | H4 | 45.1° | 55.0° |
| C07 | C06 | H5 | H6 | 116.7° | 120.0° |
| C06 | C07 | C09 | H8 | 4.7° | 60.0° |
| C06 | C07 | O08 | H14 | 60.8° | 60.0° |
| C05 | C06 | C07 | O08 | 37.9° | 65.0° |
| C06 | C05 | N04 | H4 | 125.7° | 120.0° |
| C06 | C05 | N04 | C02 | 118.0° | 155.0° |
| C05 | C06 | H5 | H6 | 116.7° | 120.0° |
| C05 | C06 | C07 | H7 | 83.9° | 55.0° |
| C06 | C05 | C13 | H11 | 168.3° | 65.0° |
| C06 | C05 | C13 | H12 | 70.3° | 175.0° |
| C06 | C05 | N04 | H13 | 62.0° | 24.9° |
| O08 | C07 | C06 | H5 | 83.1° | 175.0° |
| O08 | C07 | C06 | H6 | 159.0° | 55.0° |
| O08 | C07 | C09 | H8 | 115.4° | 60.0° |
| C05 | N04 | C02 | H13 | 180.0° | 179.9° |
| C05 | N04 | C02 | C01 | 180.0° | 180.0° |
| C05 | N04 | C02 | O03 | 0.4° | 0.0° |
| N04 | C05 | C06 | H5 | 39.8° | 175.0° |
| N04 | C05 | C06 | H6 | 157.7° | 54.9° |
| N04 | C05 | C13 | H11 | 52.6° | 175.0° |
| N04 | C05 | C13 | H12 | 174.0° | 55.0° |
| N04 | C02 | C01 | O03 | 179.6° | 180.0° |
| N04 | C02 | C01 | H1 | 179.6° | 90.0° |
| N04 | C02 | C01 | H2 | 59.6° | 30.0° |
| N04 | C02 | C01 | H3 | 60.4° | 150.0° |
| C02 | N04 | C05 | H4 | 7.8° | 35.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | N04 | H13 | 0.1° | 0.0° |
| O03 | C02 | C01 | H1 | 0.0° | 90.0° |
| O03 | C02 | C01 | H2 | 120.0° | 150.0° |
| O03 | C02 | C01 | H3 | 120.0° | 30.0° |
| O03 | C02 | N04 | H13 | 179.6° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C05 | C06 | H5 | 166.2° | 65.0° |
| H4 | C05 | C06 | H6 | 75.9° | 174.9° |
| H4 | C05 | C13 | H11 | 71.8° | 55.0° |
| H4 | C05 | C13 | H12 | 49.6° | 65.0° |
| H4 | C05 | N04 | H13 | 172.2° | 144.9° |
| H5 | C06 | C07 | H7 | 155.1° | 65.0° |
| H6 | C06 | C07 | H7 | 37.2° | 175.0° |
| H7 | C07 | C09 | H8 | 123.3° | 179.9° |
| H7 | C07 | O08 | H14 | 59.9° | 180.0° |
| H8 | C09 | C11 | H9 | 151.6° | 65.0° |
| H8 | C09 | C11 | H10 | 88.4° | 175.0° |
| H8 | C09 | O10 | H15 | 60.9° | 180.0° |
| H9 | C11 | O12 | H16 | 60.0° | 60.0° |
| H10 | C11 | O12 | H16 | 60.0° | 60.0° |
| H11 | C13 | O14 | H17 | 60.7° | 59.9° |
| H12 | C13 | O14 | H17 | 60.6° | 60.0° |
