A1AW3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.26Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.52Å | 1.61Å | |
| N1 | O2 | sing | 1.42Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C9 | sing | 1.52Å | 1.55Å | |
| C2 | C10 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.52Å | 1.53Å | |
| C4 | C5 | sing | 1.52Å | 1.53Å | |
| C5 | C6 | sing | 1.52Å | 1.54Å | |
| C6 | C7 | sing | 1.52Å | 1.54Å | |
| C6 | C10 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.52Å | 1.52Å | |
| C8 | C9 | sing | 1.52Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C3 | H33 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.08Å | 1.10Å | |
| C4 | H42 | sing | 1.11Å | 1.10Å | |
| C5 | H53 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C7 | H73 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.11Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C9 | H93 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 109.9° | 120.0° |
| O1 | C1 | C2 | 123.8° | 120.0° |
| N1 | C1 | C2 | 126.2° | 120.0° |
| C1 | N1 | O2 | 120.3° | 120.0° |
| C1 | N1 | H1 | 119.8° | 120.0° |
| C1 | C2 | C3 | 108.0° | 108.3° |
| C1 | C2 | C9 | 107.9° | 108.6° |
| C1 | C2 | C10 | 116.0° | 108.1° |
| O2 | N1 | H1 | 119.9° | 120.0° |
| N1 | O2 | H2 | 109.5° | 114.1° |
| C3 | C2 | C9 | 115.4° | 111.9° |
| C3 | C2 | C10 | 104.6° | 109.5° |
| C2 | C3 | C4 | 116.2° | 112.1° |
| C2 | C3 | H33 | 107.8° | 109.0° |
| C2 | C3 | H32 | 107.8° | 109.2° |
| C9 | C2 | C10 | 105.3° | 110.2° |
| C2 | C9 | C8 | 116.7° | 113.7° |
| C2 | C9 | H92 | 107.7° | 108.9° |
| C2 | C9 | H93 | 107.6° | 108.9° |
| C2 | C10 | C6 | 113.1° | 108.3° |
| C2 | C10 | H102 | 108.5° | 109.6° |
| C2 | C10 | H103 | 108.5° | 109.6° |
| C3 | C4 | C5 | 113.2° | 112.0° |
| C4 | C3 | H33 | 107.7° | 109.2° |
| C4 | C3 | H32 | 107.8° | 109.3° |
| C3 | C4 | H43 | 108.6° | 111.3° |
| C3 | C4 | H42 | 108.6° | 107.7° |
| C4 | C5 | C6 | 115.9° | 112.3° |
| C5 | C4 | H43 | 108.5° | 111.4° |
| C5 | C4 | H42 | 108.5° | 107.7° |
| C4 | C5 | H53 | 107.8° | 109.1° |
| C4 | C5 | H52 | 107.8° | 109.1° |
| C5 | C6 | C7 | 114.0° | 111.9° |
| C5 | C6 | C10 | 108.7° | 110.3° |
| C6 | C5 | H53 | 107.9° | 109.2° |
| C6 | C5 | H52 | 107.9° | 109.2° |
| C5 | C6 | H6 | 108.4° | 108.3° |
| C7 | C6 | C10 | 108.9° | 110.0° |
| C6 | C7 | C8 | 111.3° | 113.1° |
| C7 | C6 | H6 | 108.4° | 108.3° |
| C6 | C7 | H73 | 109.0° | 108.9° |
| C6 | C7 | H72 | 109.0° | 109.1° |
| C6 | C10 | H102 | 108.6° | 109.7° |
| C6 | C10 | H103 | 108.5° | 109.8° |
| C10 | C6 | H6 | 108.4° | 108.0° |
| C7 | C8 | C9 | 113.6° | 113.7° |
| C8 | C7 | H73 | 109.0° | 109.1° |
| C8 | C7 | H72 | 109.0° | 109.2° |
| C7 | C8 | H82 | 108.5° | 111.1° |
| C7 | C8 | H83 | 108.4° | 107.4° |
| C9 | C8 | H82 | 108.4° | 111.3° |
| C9 | C8 | H83 | 108.4° | 107.5° |
| C8 | C9 | H92 | 107.6° | 109.1° |
| C8 | C9 | H93 | 107.6° | 109.1° |
| H33 | C3 | H32 | 109.5° | 108.0° |
| H102 | C10 | H103 | 109.5° | 109.7° |
| H43 | C4 | H42 | 109.4° | 106.4° |
| H53 | C5 | H52 | 109.5° | 107.7° |
| H73 | C7 | H72 | 109.4° | 107.3° |
| H82 | C8 | H83 | 109.4° | 105.2° |
| H92 | C9 | H93 | 109.5° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C2 | 177.8° | 179.9° |
| O1 | C1 | N1 | O2 | 0.9° | 0.1° |
| O1 | C1 | C2 | C3 | 134.0° | 120.0° |
| O1 | C1 | C2 | C9 | 100.7° | 118.2° |
| O1 | C1 | C2 | C10 | 17.0° | 1.4° |
| O1 | C1 | N1 | H1 | 179.1° | 179.7° |
| C1 | N1 | O2 | H1 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 43.6° | 60.1° |
| N1 | C1 | C2 | C9 | 81.8° | 61.7° |
| N1 | C1 | C2 | C10 | 160.5° | 178.7° |
| C1 | N1 | O2 | H2 | 0.5° | 179.7° |
| C2 | C1 | N1 | O2 | 176.9° | 180.0° |
| C1 | C2 | C3 | C9 | 120.8° | 119.7° |
| C1 | C2 | C3 | C10 | 124.1° | 117.7° |
| C1 | C2 | C9 | C10 | 124.4° | 118.3° |
| C1 | C2 | C3 | C4 | 179.1° | 175.2° |
| C1 | C2 | C10 | C6 | 178.1° | 179.9° |
| C1 | C2 | C9 | C8 | 175.1° | 171.4° |
| C2 | C1 | N1 | H1 | 3.1° | 0.3° |
| C1 | C2 | C3 | H33 | 59.9° | 63.8° |
| C1 | C2 | C3 | H32 | 58.1° | 54.0° |
| C1 | C2 | C10 | H102 | 61.4° | 60.1° |
| C1 | C2 | C10 | H103 | 57.5° | 60.4° |
| C1 | C2 | C9 | H92 | 54.1° | 49.5° |
| C1 | C2 | C9 | H93 | 63.9° | 66.7° |
| C3 | C2 | C9 | C10 | 114.8° | 122.1° |
| C2 | C3 | C4 | H33 | 121.0° | 121.0° |
| C2 | C3 | C4 | H32 | 121.0° | 121.1° |
| C2 | C3 | C4 | C5 | 45.9° | 51.0° |
| C3 | C2 | C10 | C6 | 63.1° | 62.0° |
| C3 | C2 | C9 | C8 | 64.1° | 69.1° |
| C2 | C3 | H33 | H32 | 116.9° | 118.5° |
| C3 | C2 | C10 | H102 | 57.4° | 57.7° |
| C3 | C2 | C10 | H103 | 176.3° | 178.2° |
| C2 | C3 | C4 | H43 | 74.7° | 74.4° |
| C2 | C3 | C4 | H42 | 166.4° | 169.3° |
| C3 | C2 | C9 | H92 | 174.9° | 169.1° |
| C3 | C2 | C9 | H93 | 56.9° | 52.9° |
| C9 | C2 | C3 | C4 | 60.1° | 65.1° |
| C9 | C2 | C10 | C6 | 58.9° | 61.5° |
| C2 | C9 | C8 | C7 | 48.0° | 44.8° |
| C2 | C9 | C8 | H92 | 121.1° | 121.7° |
| C2 | C9 | C8 | H93 | 121.0° | 121.8° |
| C9 | C2 | C3 | H33 | 60.8° | 56.0° |
| C9 | C2 | C3 | H32 | 178.9° | 173.7° |
| C9 | C2 | C10 | H102 | 179.4° | 178.8° |
| C9 | C2 | C10 | H103 | 61.6° | 58.3° |
| C2 | C9 | C8 | H82 | 72.6° | 81.6° |
| C2 | C9 | C8 | H83 | 168.7° | 163.6° |
| C2 | C9 | H92 | H93 | 116.8° | 117.5° |
| C10 | C2 | C3 | C4 | 55.0° | 57.4° |
| C2 | C10 | C6 | C5 | 60.8° | 61.4° |
| C2 | C10 | C6 | C7 | 63.8° | 62.5° |
| C2 | C10 | C6 | H102 | 120.5° | 119.7° |
| C2 | C10 | C6 | H103 | 120.5° | 119.6° |
| C10 | C2 | C9 | C8 | 50.7° | 53.1° |
| C10 | C2 | C3 | H33 | 176.0° | 178.5° |
| C10 | C2 | C3 | H32 | 66.0° | 63.8° |
| C2 | C10 | H102 | H103 | 118.3° | 120.4° |
| C2 | C10 | C6 | H6 | 178.4° | 179.5° |
| C10 | C2 | C9 | H92 | 70.3° | 68.8° |
| C10 | C2 | C9 | H93 | 171.7° | 175.0° |
| C3 | C4 | C5 | H43 | 120.6° | 125.4° |
| C3 | C4 | C5 | H42 | 120.6° | 118.3° |
| C3 | C4 | C5 | C6 | 41.0° | 50.1° |
| C4 | C3 | H33 | H32 | 117.0° | 118.7° |
| C3 | C4 | H43 | H42 | 118.3° | 117.1° |
| C3 | C4 | C5 | H53 | 161.9° | 171.4° |
| C3 | C4 | C5 | H52 | 79.9° | 71.1° |
| C4 | C5 | C6 | H53 | 120.9° | 121.3° |
| C4 | C5 | C6 | H52 | 120.9° | 121.2° |
| C4 | C5 | C6 | C7 | 74.0° | 67.0° |
| C4 | C5 | C6 | C10 | 47.7° | 55.8° |
| C5 | C4 | C3 | H33 | 166.8° | 172.0° |
| C5 | C4 | C3 | H32 | 75.1° | 70.1° |
| C5 | C4 | H43 | H42 | 118.3° | 117.1° |
| C4 | C5 | H53 | H52 | 117.1° | 118.3° |
| C4 | C5 | C6 | H6 | 165.3° | 173.7° |
| C5 | C6 | C7 | C10 | 121.5° | 123.0° |
| C5 | C6 | C7 | H6 | 120.8° | 119.3° |
| C5 | C6 | C10 | H6 | 117.6° | 118.2° |
| C5 | C6 | C7 | C8 | 66.1° | 68.1° |
| C5 | C6 | C10 | H102 | 59.7° | 58.3° |
| C5 | C6 | C10 | H103 | 178.6° | 179.0° |
| C6 | C5 | C4 | H43 | 79.6° | 75.3° |
| C6 | C5 | C4 | H42 | 161.6° | 168.4° |
| C6 | C5 | H53 | H52 | 117.1° | 118.5° |
| C5 | C6 | C7 | H73 | 54.2° | 53.4° |
| C5 | C6 | C7 | H72 | 173.6° | 170.1° |
| C7 | C6 | C10 | H6 | 117.7° | 118.0° |
| C6 | C7 | C8 | H73 | 120.3° | 121.4° |
| C6 | C7 | C8 | H72 | 120.3° | 121.6° |
| C6 | C7 | C8 | C9 | 48.3° | 45.5° |
| C7 | C6 | C10 | H102 | 175.6° | 177.8° |
| C7 | C6 | C10 | H103 | 56.7° | 57.1° |
| C7 | C6 | C5 | H53 | 46.9° | 54.3° |
| C7 | C6 | C5 | H52 | 165.1° | 171.8° |
| C6 | C7 | H73 | H72 | 119.1° | 117.9° |
| C6 | C7 | C8 | H82 | 72.3° | 81.0° |
| C6 | C7 | C8 | H83 | 168.9° | 164.4° |
| C10 | C6 | C7 | C8 | 55.4° | 54.8° |
| C6 | C10 | H102 | H103 | 118.3° | 120.7° |
| C10 | C6 | C5 | H53 | 168.6° | 177.1° |
| C10 | C6 | C5 | H52 | 73.3° | 65.4° |
| C10 | C6 | C7 | H73 | 175.7° | 176.3° |
| C10 | C6 | C7 | H72 | 64.9° | 66.9° |
| C7 | C8 | C9 | H82 | 120.6° | 126.4° |
| C7 | C8 | C9 | H83 | 120.6° | 118.8° |
| C8 | C7 | C6 | H6 | 173.1° | 172.6° |
| C8 | C7 | H73 | H72 | 119.2° | 118.2° |
| C7 | C8 | H82 | H83 | 118.1° | 116.0° |
| C7 | C8 | C9 | H92 | 73.0° | 76.9° |
| C7 | C8 | C9 | H93 | 169.1° | 166.6° |
| C9 | C8 | C7 | H73 | 168.6° | 166.9° |
| C9 | C8 | C7 | H72 | 72.0° | 76.1° |
| C9 | C8 | H82 | H83 | 118.1° | 116.1° |
| C8 | C9 | H92 | H93 | 116.7° | 117.9° |
| H1 | N1 | O2 | H2 | 179.5° | 0.1° |
| H33 | C3 | C4 | H43 | 46.2° | 46.5° |
| H33 | C3 | C4 | H42 | 72.6° | 69.7° |
| H32 | C3 | C4 | H43 | 164.3° | 164.4° |
| H32 | C3 | C4 | H42 | 45.4° | 48.2° |
| H102 | C10 | C6 | H6 | 57.9° | 59.9° |
| H103 | C10 | C6 | H6 | 61.0° | 60.8° |
| H43 | C4 | C5 | H53 | 41.4° | 46.0° |
| H43 | C4 | C5 | H52 | 159.5° | 163.4° |
| H42 | C4 | C5 | H53 | 77.5° | 70.3° |
| H42 | C4 | C5 | H52 | 40.6° | 47.2° |
| H53 | C5 | C6 | H6 | 73.8° | 65.0° |
| H52 | C5 | C6 | H6 | 44.3° | 52.6° |
| H6 | C6 | C7 | H73 | 66.6° | 65.9° |
| H6 | C6 | C7 | H72 | 52.8° | 50.9° |
| H73 | C7 | C8 | H82 | 48.0° | 40.4° |
| H73 | C7 | C8 | H83 | 70.8° | 74.2° |
| H72 | C7 | C8 | H82 | 167.4° | 157.4° |
| H72 | C7 | C8 | H83 | 48.6° | 42.8° |
| H82 | C8 | C9 | H92 | 166.3° | 156.6° |
| H82 | C8 | C9 | H93 | 48.4° | 40.2° |
| H83 | C8 | C9 | H92 | 47.6° | 41.9° |
| H83 | C8 | C9 | H93 | 70.3° | 74.6° |
