A1AW6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C2 | C3 | sing | 1.52Å | 1.55Å | |
| C2 | C9 | sing | 1.52Å | 1.55Å | |
| C2 | C10 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.52Å | 1.52Å | |
| C4 | C5 | sing | 1.52Å | 1.52Å | |
| C5 | C6 | sing | 1.52Å | 1.54Å | |
| C6 | C7 | sing | 1.52Å | 1.54Å | |
| C6 | C10 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.52Å | 1.52Å | |
| C8 | C9 | sing | 1.52Å | 1.52Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.10Å | 1.10Å | |
| C4 | H43 | sing | 1.11Å | 1.10Å | |
| C4 | H42 | sing | 1.08Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C5 | H53 | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C7 | H73 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.11Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | O1 | 123.1° | 120.0° |
| N1 | C1 | C2 | 116.0° | 120.0° |
| C1 | N1 | H12 | 120.0° | 120.0° |
| C1 | N1 | H11 | 120.0° | 120.0° |
| O1 | C1 | C2 | 120.9° | 120.0° |
| C1 | C2 | C3 | 109.8° | 108.3° |
| C1 | C2 | C9 | 108.0° | 108.6° |
| C1 | C2 | C10 | 110.9° | 108.2° |
| C3 | C2 | C9 | 110.5° | 111.9° |
| C3 | C2 | C10 | 107.8° | 109.6° |
| C2 | C3 | C4 | 112.6° | 112.1° |
| C2 | C3 | H32 | 108.7° | 109.1° |
| C2 | C3 | H33 | 108.7° | 109.1° |
| C9 | C2 | C10 | 109.9° | 110.2° |
| C2 | C9 | C8 | 113.0° | 113.8° |
| C2 | C9 | H93 | 108.6° | 108.9° |
| C2 | C9 | H92 | 108.6° | 108.9° |
| C2 | C10 | C6 | 110.4° | 108.4° |
| C2 | C10 | H102 | 109.2° | 109.6° |
| C2 | C10 | H103 | 109.2° | 109.6° |
| C3 | C4 | C5 | 112.0° | 112.0° |
| C4 | C3 | H32 | 108.7° | 109.3° |
| C4 | C3 | H33 | 108.7° | 109.2° |
| C3 | C4 | H43 | 108.8° | 107.7° |
| C3 | C4 | H42 | 108.8° | 111.3° |
| C4 | C5 | C6 | 112.0° | 112.4° |
| C5 | C4 | H43 | 108.8° | 107.7° |
| C5 | C4 | H42 | 108.8° | 111.4° |
| C4 | C5 | H52 | 108.8° | 109.1° |
| C4 | C5 | H53 | 108.9° | 109.2° |
| C5 | C6 | C7 | 111.8° | 111.8° |
| C5 | C6 | C10 | 107.9° | 110.3° |
| C6 | C5 | H52 | 108.8° | 109.1° |
| C6 | C5 | H53 | 108.8° | 109.2° |
| C5 | C6 | H6 | 109.2° | 108.3° |
| C7 | C6 | C10 | 109.5° | 110.0° |
| C6 | C7 | C8 | 113.8° | 113.1° |
| C7 | C6 | H6 | 109.2° | 108.4° |
| C6 | C7 | H72 | 108.4° | 109.0° |
| C6 | C7 | H73 | 108.4° | 109.0° |
| C6 | C10 | H102 | 109.2° | 109.8° |
| C6 | C10 | H103 | 109.2° | 109.7° |
| C10 | C6 | H6 | 109.2° | 108.0° |
| C7 | C8 | C9 | 112.1° | 113.8° |
| C8 | C7 | H72 | 108.4° | 109.2° |
| C8 | C7 | H73 | 108.4° | 109.1° |
| C7 | C8 | H82 | 108.8° | 107.5° |
| C7 | C8 | H83 | 108.8° | 111.1° |
| C9 | C8 | H82 | 108.8° | 107.5° |
| C9 | C8 | H83 | 108.8° | 111.2° |
| C8 | C9 | H93 | 108.6° | 109.2° |
| C8 | C9 | H92 | 108.6° | 109.1° |
| H102 | C10 | H103 | 109.5° | 109.7° |
| H32 | C3 | H33 | 109.5° | 108.0° |
| H43 | C4 | H42 | 109.4° | 106.4° |
| H52 | C5 | H53 | 109.5° | 107.7° |
| H72 | C7 | H73 | 109.5° | 107.3° |
| H82 | C8 | H83 | 109.5° | 105.2° |
| H93 | C9 | H92 | 109.5° | 106.9° |
| H12 | N1 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | O1 | C2 | 179.3° | 179.7° |
| N1 | C1 | C2 | C3 | 57.7° | 59.7° |
| N1 | C1 | C2 | C9 | 62.8° | 62.0° |
| N1 | C1 | C2 | C10 | 176.8° | 178.4° |
| C1 | N1 | H12 | H11 | 180.0° | 179.9° |
| O1 | C1 | C2 | C3 | 122.9° | 120.0° |
| O1 | C1 | C2 | C9 | 116.6° | 118.3° |
| O1 | C1 | C2 | C10 | 3.8° | 1.3° |
| O1 | C1 | N1 | H12 | 0.0° | 0.0° |
| O1 | C1 | N1 | H11 | 180.0° | 180.0° |
| C1 | C2 | C3 | C9 | 119.0° | 119.7° |
| C1 | C2 | C3 | C10 | 120.9° | 117.8° |
| C1 | C2 | C9 | C10 | 121.0° | 118.3° |
| C1 | C2 | C3 | C4 | 176.5° | 175.2° |
| C1 | C2 | C10 | C6 | 178.2° | 179.9° |
| C1 | C2 | C9 | C8 | 124.6° | 171.3° |
| C1 | C2 | C10 | H102 | 58.1° | 60.3° |
| C1 | C2 | C10 | H103 | 61.7° | 60.2° |
| C1 | C2 | C3 | H32 | 56.0° | 54.0° |
| C1 | C2 | C3 | H33 | 63.0° | 63.8° |
| C1 | C2 | C9 | H93 | 114.8° | 66.7° |
| C1 | C2 | C9 | H92 | 4.1° | 49.4° |
| C2 | C1 | N1 | H12 | 179.3° | 179.8° |
| C2 | C1 | N1 | H11 | 0.6° | 0.3° |
| C3 | C2 | C9 | C10 | 118.8° | 122.1° |
| C2 | C3 | C4 | H32 | 120.5° | 121.1° |
| C2 | C3 | C4 | H33 | 120.5° | 121.0° |
| C2 | C3 | C4 | C5 | 52.2° | 51.1° |
| C3 | C2 | C10 | C6 | 61.6° | 62.0° |
| C3 | C2 | C9 | C8 | 115.3° | 69.1° |
| C3 | C2 | C10 | H102 | 178.3° | 178.2° |
| C3 | C2 | C10 | H103 | 58.6° | 57.7° |
| C2 | C3 | H32 | H33 | 118.5° | 118.5° |
| C2 | C3 | C4 | H43 | 172.6° | 169.3° |
| C2 | C3 | C4 | H42 | 68.1° | 74.4° |
| C3 | C2 | C9 | H93 | 5.3° | 52.8° |
| C3 | C2 | C9 | H92 | 124.2° | 169.0° |
| C9 | C2 | C3 | C4 | 64.5° | 65.1° |
| C9 | C2 | C10 | C6 | 58.9° | 61.5° |
| C2 | C9 | C8 | C7 | 50.1° | 44.7° |
| C2 | C9 | C8 | H93 | 120.5° | 121.8° |
| C2 | C9 | C8 | H92 | 120.5° | 121.7° |
| C9 | C2 | C10 | H102 | 61.2° | 58.3° |
| C9 | C2 | C10 | H103 | 179.0° | 178.7° |
| C9 | C2 | C3 | H32 | 175.1° | 173.8° |
| C9 | C2 | C3 | H33 | 56.0° | 56.0° |
| C2 | C9 | C8 | H82 | 70.3° | 163.6° |
| C2 | C9 | C8 | H83 | 170.5° | 81.7° |
| C2 | C9 | H93 | H92 | 118.4° | 117.4° |
| C10 | C2 | C3 | C4 | 55.6° | 57.4° |
| C2 | C10 | C6 | C5 | 62.9° | 61.3° |
| C2 | C10 | C6 | C7 | 59.0° | 62.5° |
| C2 | C10 | C6 | H102 | 120.1° | 119.7° |
| C2 | C10 | C6 | H103 | 120.1° | 119.7° |
| C10 | C2 | C9 | C8 | 3.6° | 53.0° |
| C2 | C10 | H102 | H103 | 119.6° | 120.4° |
| C10 | C2 | C3 | H32 | 64.9° | 63.7° |
| C10 | C2 | C3 | H33 | 176.1° | 178.4° |
| C2 | C10 | C6 | H6 | 178.5° | 179.4° |
| C10 | C2 | C9 | H93 | 124.1° | 175.0° |
| C10 | C2 | C9 | H92 | 116.9° | 68.9° |
| C3 | C4 | C5 | H43 | 120.4° | 118.2° |
| C3 | C4 | C5 | H42 | 120.4° | 125.5° |
| C3 | C4 | C5 | C6 | 53.2° | 50.1° |
| C4 | C3 | H32 | H33 | 118.6° | 118.7° |
| C3 | C4 | H43 | H42 | 118.8° | 119.5° |
| C3 | C4 | C5 | H52 | 67.1° | 71.1° |
| C3 | C4 | C5 | H53 | 173.6° | 171.4° |
| C4 | C5 | C6 | H52 | 120.4° | 121.2° |
| C4 | C5 | C6 | H53 | 120.4° | 121.3° |
| C4 | C5 | C6 | C7 | 62.5° | 67.0° |
| C4 | C5 | C6 | C10 | 57.9° | 55.7° |
| C5 | C4 | C3 | H32 | 68.2° | 70.0° |
| C5 | C4 | C3 | H33 | 172.7° | 172.0° |
| C5 | C4 | H43 | H42 | 118.8° | 119.5° |
| C4 | C5 | H52 | H53 | 118.9° | 118.4° |
| C4 | C5 | C6 | H6 | 176.5° | 173.7° |
| C5 | C6 | C7 | C10 | 119.5° | 122.9° |
| C5 | C6 | C7 | H6 | 121.0° | 119.3° |
| C5 | C6 | C10 | H6 | 118.6° | 118.2° |
| C5 | C6 | C7 | C8 | 115.3° | 68.1° |
| C5 | C6 | C10 | H102 | 177.0° | 179.0° |
| C5 | C6 | C10 | H103 | 57.2° | 58.4° |
| C6 | C5 | C4 | H43 | 173.6° | 168.3° |
| C6 | C5 | C4 | H42 | 67.2° | 75.4° |
| C6 | C5 | H52 | H53 | 118.9° | 118.4° |
| C5 | C6 | C7 | H72 | 124.0° | 170.2° |
| C5 | C6 | C7 | H73 | 5.3° | 53.5° |
| C7 | C6 | C10 | H6 | 119.5° | 118.1° |
| C6 | C7 | C8 | H72 | 120.6° | 121.5° |
| C6 | C7 | C8 | H73 | 120.6° | 121.5° |
| C6 | C7 | C8 | C9 | 50.2° | 45.5° |
| C7 | C6 | C10 | H102 | 61.2° | 57.2° |
| C7 | C6 | C10 | H103 | 179.1° | 177.8° |
| C7 | C6 | C5 | H52 | 177.1° | 171.8° |
| C7 | C6 | C5 | H53 | 57.8° | 54.3° |
| C6 | C7 | H72 | H73 | 118.0° | 117.9° |
| C6 | C7 | C8 | H82 | 70.2° | 164.3° |
| C6 | C7 | C8 | H83 | 170.6° | 81.0° |
| C10 | C6 | C7 | C8 | 4.1° | 54.7° |
| C6 | C10 | H102 | H103 | 119.6° | 120.6° |
| C10 | C6 | C5 | H52 | 62.5° | 65.5° |
| C10 | C6 | C5 | H53 | 178.3° | 177.0° |
| C10 | C6 | C7 | H72 | 116.5° | 66.9° |
| C10 | C6 | C7 | H73 | 124.8° | 176.3° |
| C7 | C8 | C9 | H82 | 120.4° | 118.8° |
| C7 | C8 | C9 | H83 | 120.4° | 126.4° |
| C8 | C7 | C6 | H6 | 123.7° | 172.6° |
| C8 | C7 | H72 | H73 | 118.1° | 118.1° |
| C7 | C8 | H82 | H83 | 118.8° | 118.5° |
| C7 | C8 | C9 | H93 | 70.4° | 166.5° |
| C7 | C8 | C9 | H92 | 170.7° | 77.0° |
| C9 | C8 | C7 | H72 | 170.8° | 76.1° |
| C9 | C8 | C7 | H73 | 70.4° | 167.0° |
| C9 | C8 | H82 | H83 | 118.8° | 118.7° |
| C8 | C9 | H93 | H92 | 118.4° | 117.9° |
| H102 | C10 | C6 | H6 | 58.4° | 60.8° |
| H103 | C10 | C6 | H6 | 61.4° | 59.8° |
| H32 | C3 | C4 | H43 | 52.2° | 48.2° |
| H32 | C3 | C4 | H42 | 171.4° | 164.5° |
| H33 | C3 | C4 | H43 | 66.9° | 69.7° |
| H33 | C3 | C4 | H42 | 52.3° | 46.5° |
| H43 | C4 | C5 | H52 | 53.3° | 47.2° |
| H43 | C4 | C5 | H53 | 66.0° | 70.3° |
| H42 | C4 | C5 | H52 | 172.5° | 163.4° |
| H42 | C4 | C5 | H53 | 53.2° | 46.0° |
| H52 | C5 | C6 | H6 | 56.1° | 52.5° |
| H53 | C5 | C6 | H6 | 63.1° | 65.0° |
| H6 | C6 | C7 | H72 | 3.1° | 50.9° |
| H6 | C6 | C7 | H73 | 115.7° | 65.8° |
| H72 | C7 | C8 | H82 | 50.4° | 42.8° |
| H72 | C7 | C8 | H83 | 68.8° | 157.4° |
| H73 | C7 | C8 | H82 | 169.2° | 74.2° |
| H73 | C7 | C8 | H83 | 50.0° | 40.5° |
| H82 | C8 | C9 | H93 | 169.2° | 74.6° |
| H82 | C8 | C9 | H92 | 50.3° | 41.8° |
| H83 | C8 | C9 | H93 | 50.0° | 40.1° |
| H83 | C8 | C9 | H92 | 68.9° | 156.6° |
