A1ABM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C14 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.52Å | 1.47Å | |
| C13 | C12 | sing | 1.55Å | 1.53Å | |
| C14 | N10 | sing | 1.35Å | 1.50Å | |
| N10 | N11 | sing | 1.37Å | 1.41Å | |
| N10 | C09 | sing | 1.48Å | 1.42Å | |
| C12 | N11 | sing | 1.47Å | 1.51Å | |
| N11 | C16 | sing | 1.47Å | 1.53Å | |
| C09 | C08 | sing | 1.56Å | 1.51Å | |
| C16 | C08 | sing | 1.54Å | 1.54Å | |
| C16 | C17 | sing | 1.50Å | 1.49Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C07 | O06 | sing | 1.43Å | 1.40Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.48Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | O06 | sing | 1.36Å | 1.38Å | |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C14 | C13 | 127.7° | 126.0° |
| O15 | C14 | N10 | 128.9° | 126.0° |
| C14 | C13 | C12 | 100.1° | 102.3° |
| C13 | C14 | N10 | 103.2° | 108.0° |
| C14 | C13 | H132 | 111.8° | 110.9° |
| C14 | C13 | H131 | 111.8° | 110.8° |
| C13 | C12 | N11 | 111.4° | 101.4° |
| C12 | C13 | H132 | 111.8° | 110.8° |
| C12 | C13 | H131 | 111.8° | 110.9° |
| C13 | C12 | H122 | 109.0° | 111.0° |
| C13 | C12 | H121 | 109.0° | 111.0° |
| C14 | N10 | N11 | 118.0° | 112.0° |
| C14 | N10 | C09 | 123.9° | 142.1° |
| N11 | N10 | C09 | 116.9° | 105.9° |
| N10 | N11 | C12 | 95.7° | 107.7° |
| N10 | N11 | C16 | 98.8° | 109.1° |
| N10 | C09 | C08 | 102.7° | 101.3° |
| N10 | C09 | H091 | 111.1° | 111.1° |
| N10 | C09 | H092 | 111.1° | 111.1° |
| C12 | N11 | C16 | 122.1° | 112.3° |
| N11 | C12 | H122 | 109.0° | 111.1° |
| N11 | C12 | H121 | 109.0° | 111.1° |
| N11 | C16 | C08 | 108.6° | 105.8° |
| N11 | C16 | C17 | 116.0° | 111.4° |
| N11 | C16 | H161 | 105.6° | 108.1° |
| C09 | C08 | C16 | 104.7° | 101.2° |
| C09 | C08 | C07 | 101.4° | 107.7° |
| C09 | C08 | H081 | 112.5° | 112.1° |
| C08 | C09 | H091 | 111.1° | 111.1° |
| C08 | C09 | H092 | 111.1° | 111.1° |
| C08 | C16 | C17 | 114.2° | 113.5° |
| C16 | C08 | C07 | 113.0° | 111.0° |
| C16 | C08 | H081 | 112.0° | 112.5° |
| C08 | C16 | H161 | 105.5° | 108.9° |
| C16 | C17 | C18 | 122.8° | 118.8° |
| C16 | C17 | C05 | 113.5° | 122.2° |
| C17 | C16 | H161 | 106.0° | 109.0° |
| C08 | C07 | O06 | 104.9° | 109.2° |
| C08 | C07 | H072 | 110.6° | 109.5° |
| C08 | C07 | H071 | 110.6° | 109.5° |
| C07 | C08 | H081 | 112.4° | 111.9° |
| C07 | O06 | C05 | 106.8° | 115.0° |
| O06 | C07 | H072 | 110.6° | 109.5° |
| O06 | C07 | H071 | 110.6° | 109.5° |
| C17 | C18 | C02 | 121.1° | 120.5° |
| C18 | C17 | C05 | 123.6° | 118.9° |
| C17 | C18 | H181 | 119.4° | 119.8° |
| C18 | C02 | C01 | 122.8° | 119.8° |
| C18 | C02 | C03 | 115.5° | 120.3° |
| C02 | C18 | H181 | 119.4° | 119.7° |
| C17 | C05 | O06 | 127.3° | 119.8° |
| C17 | C05 | C04 | 114.1° | 120.6° |
| C01 | C02 | C03 | 121.7° | 119.8° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C03 | C04 | 122.5° | 119.7° |
| C02 | C03 | H031 | 118.8° | 120.2° |
| O06 | C05 | C04 | 118.6° | 119.6° |
| C05 | C04 | C03 | 123.2° | 119.9° |
| C05 | C04 | H041 | 118.4° | 120.0° |
| C04 | C03 | H031 | 118.8° | 120.1° |
| C03 | C04 | H041 | 118.4° | 120.1° |
| H132 | C13 | H131 | 109.5° | 110.9° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.4° | 111.0° |
| H122 | C12 | H121 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C14 | C13 | N10 | 175.8° | 180.0° |
| O15 | C14 | C13 | C12 | 160.6° | 167.2° |
| O15 | C14 | N10 | N11 | 177.4° | 174.2° |
| O15 | C14 | N10 | C09 | 10.4° | 9.0° |
| O15 | C14 | C13 | H132 | 42.1° | 74.6° |
| O15 | C14 | C13 | H131 | 81.0° | 49.0° |
| C14 | C13 | C12 | H132 | 118.5° | 118.2° |
| C14 | C13 | C12 | H131 | 118.4° | 118.2° |
| C13 | C14 | N10 | N11 | 6.9° | 5.8° |
| C13 | C14 | N10 | C09 | 173.9° | 171.1° |
| C14 | C13 | C12 | N11 | 35.8° | 24.7° |
| C14 | C13 | H132 | H131 | 124.4° | 123.6° |
| C14 | C13 | C12 | H122 | 84.5° | 93.3° |
| C14 | C13 | C12 | H121 | 156.1° | 142.7° |
| C12 | C13 | C14 | N10 | 23.6° | 12.8° |
| C13 | C12 | N11 | N10 | 30.1° | 29.5° |
| C13 | C12 | N11 | H122 | 120.3° | 118.0° |
| C13 | C12 | N11 | H121 | 120.3° | 118.0° |
| C13 | C12 | N11 | C16 | 134.3° | 149.7° |
| C12 | C13 | H132 | H131 | 124.4° | 123.6° |
| C13 | C12 | H122 | H121 | 119.1° | 124.0° |
| C14 | N10 | N11 | C09 | 167.9° | 178.0° |
| C14 | N10 | N11 | C12 | 13.9° | 23.4° |
| C14 | N10 | N11 | C16 | 137.6° | 145.5° |
| C14 | N10 | C09 | C08 | 138.8° | 135.3° |
| N10 | C14 | C13 | H132 | 142.1° | 105.3° |
| N10 | C14 | C13 | H131 | 94.8° | 131.0° |
| C14 | N10 | C09 | H091 | 102.3° | 17.3° |
| C14 | N10 | C09 | H092 | 19.9° | 106.7° |
| N10 | N11 | C12 | C16 | 104.2° | 120.2° |
| N11 | N10 | C09 | C08 | 28.3° | 41.7° |
| N10 | N11 | C16 | C08 | 19.2° | 9.1° |
| N10 | N11 | C16 | C17 | 111.0° | 114.6° |
| N11 | N10 | C09 | H091 | 90.6° | 159.7° |
| N11 | N10 | C09 | H092 | 147.2° | 76.3° |
| N10 | N11 | C12 | H122 | 90.2° | 88.5° |
| N10 | N11 | C12 | H121 | 150.4° | 147.5° |
| N10 | N11 | C16 | H161 | 131.9° | 125.7° |
| C09 | N10 | N11 | C12 | 154.0° | 154.6° |
| C09 | N10 | N11 | C16 | 30.2° | 32.5° |
| N10 | C09 | C08 | H091 | 118.9° | 118.0° |
| N10 | C09 | C08 | H092 | 118.9° | 118.0° |
| N10 | C09 | C08 | C16 | 11.9° | 33.9° |
| N10 | C09 | C08 | C07 | 105.9° | 82.7° |
| N10 | C09 | C08 | H081 | 133.8° | 153.9° |
| N10 | C09 | H091 | H092 | 123.1° | 124.0° |
| C12 | N11 | C16 | C08 | 121.7° | 128.4° |
| C12 | N11 | C16 | C17 | 8.5° | 4.7° |
| N11 | C12 | C13 | H132 | 154.3° | 93.5° |
| N11 | C12 | C13 | H131 | 82.7° | 142.9° |
| N11 | C12 | H122 | H121 | 119.1° | 124.1° |
| C12 | N11 | C16 | H161 | 125.6° | 115.0° |
| N11 | C16 | C08 | C09 | 4.7° | 16.3° |
| N11 | C16 | C08 | C17 | 131.2° | 122.4° |
| N11 | C16 | C08 | H161 | 112.8° | 116.0° |
| N11 | C16 | C17 | H161 | 116.9° | 119.2° |
| N11 | C16 | C08 | C07 | 114.3° | 97.8° |
| N11 | C16 | C17 | C18 | 41.8° | 57.6° |
| N11 | C16 | C17 | C05 | 140.9° | 122.6° |
| N11 | C16 | C08 | H081 | 117.5° | 136.0° |
| C16 | N11 | C12 | H122 | 14.0° | 31.7° |
| C16 | N11 | C12 | H121 | 105.4° | 92.3° |
| C09 | C08 | C16 | C07 | 109.5° | 114.0° |
| C09 | C08 | C16 | H081 | 122.3° | 119.8° |
| C09 | C08 | C16 | C17 | 126.5° | 138.7° |
| C09 | C08 | C07 | H081 | 120.4° | 123.6° |
| C09 | C08 | C07 | O06 | 171.0° | 165.3° |
| C09 | C08 | C07 | H072 | 69.7° | 74.8° |
| C09 | C08 | C07 | H071 | 51.7° | 45.4° |
| C08 | C09 | H091 | H092 | 123.1° | 124.1° |
| C09 | C08 | C16 | H161 | 117.5° | 99.7° |
| C08 | C16 | C17 | H161 | 115.7° | 121.6° |
| C16 | C08 | C07 | H081 | 128.0° | 126.5° |
| C16 | C08 | C07 | O06 | 59.4° | 55.5° |
| C08 | C16 | C17 | C18 | 169.3° | 176.8° |
| C08 | C16 | C17 | C05 | 13.4° | 3.4° |
| C16 | C08 | C07 | H072 | 178.7° | 175.4° |
| C16 | C08 | C07 | H071 | 59.9° | 64.5° |
| C16 | C08 | C09 | H091 | 107.0° | 151.9° |
| C16 | C08 | C09 | H092 | 130.8° | 84.1° |
| C17 | C16 | C08 | C07 | 17.0° | 24.6° |
| C16 | C17 | C18 | C05 | 177.0° | 179.8° |
| C16 | C17 | C18 | C02 | 178.7° | 179.6° |
| C16 | C17 | C05 | O06 | 2.2° | 1.0° |
| C16 | C17 | C05 | C04 | 178.9° | 179.3° |
| C17 | C16 | C08 | H081 | 111.3° | 101.6° |
| C16 | C17 | C18 | H181 | 1.3° | 0.5° |
| C08 | C07 | O06 | H072 | 119.3° | 119.9° |
| C08 | C07 | O06 | H071 | 119.3° | 120.0° |
| C08 | C07 | O06 | C05 | 69.1° | 60.9° |
| C08 | C07 | H072 | H071 | 122.1° | 120.1° |
| C07 | C08 | C09 | H091 | 135.2° | 35.4° |
| C07 | C08 | C09 | H092 | 13.1° | 159.4° |
| C07 | C08 | C16 | H161 | 133.0° | 146.2° |
| C07 | O06 | C05 | C17 | 41.9° | 32.5° |
| C07 | O06 | C05 | C04 | 137.0° | 147.2° |
| O06 | C07 | H072 | H071 | 122.1° | 120.1° |
| O06 | C07 | C08 | H081 | 68.6° | 71.1° |
| C17 | C18 | C02 | H181 | 180.0° | 179.9° |
| C17 | C18 | C02 | C01 | 179.3° | 179.9° |
| C17 | C18 | C02 | C03 | 0.7° | 0.1° |
| C18 | C17 | C05 | O06 | 179.5° | 179.2° |
| C18 | C17 | C05 | C04 | 1.6° | 0.5° |
| C18 | C17 | C16 | H161 | 75.0° | 61.6° |
| C02 | C18 | C17 | C05 | 1.7° | 0.2° |
| C18 | C02 | C01 | C03 | 180.0° | 180.0° |
| C18 | C02 | C03 | C04 | 0.2° | 0.2° |
| C18 | C02 | C01 | H011 | 90.0° | 90.0° |
| C18 | C02 | C01 | H012 | 150.0° | 29.9° |
| C18 | C02 | C01 | H013 | 30.0° | 149.9° |
| C18 | C02 | C03 | H031 | 179.8° | 179.7° |
| C17 | C05 | O06 | C04 | 178.9° | 179.7° |
| C17 | C05 | C04 | C03 | 0.7° | 0.5° |
| C17 | C05 | C04 | H041 | 179.3° | 179.6° |
| C05 | C17 | C16 | H161 | 102.3° | 118.2° |
| C05 | C17 | C18 | H181 | 178.3° | 179.7° |
| C01 | C02 | C03 | C04 | 179.8° | 179.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.2° | 0.2° |
| C01 | C02 | C18 | H181 | 0.7° | 0.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C03 | C02 | C01 | H011 | 90.0° | 90.0° |
| C03 | C02 | C01 | H012 | 30.0° | 150.0° |
| C03 | C02 | C01 | H013 | 150.0° | 30.0° |
| C02 | C03 | C04 | H041 | 179.8° | 180.0° |
| C03 | C02 | C18 | H181 | 179.3° | 180.0° |
| O06 | C05 | C04 | C03 | 179.7° | 179.3° |
| O06 | C05 | C04 | H041 | 0.3° | 0.7° |
| C05 | O06 | C07 | H072 | 171.7° | 179.2° |
| C05 | O06 | C07 | H071 | 50.2° | 59.1° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C05 | C04 | C03 | H031 | 179.8° | 180.0° |
| H132 | C13 | C12 | H122 | 34.0° | 148.5° |
| H132 | C13 | C12 | H121 | 85.4° | 24.6° |
| H131 | C13 | C12 | H122 | 157.0° | 24.9° |
| H131 | C13 | C12 | H121 | 37.6° | 99.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 0.1° | 0.1° |
| H072 | C07 | C08 | H081 | 50.7° | 48.8° |
| H071 | C07 | C08 | H081 | 172.1° | 169.0° |
| H081 | C08 | C09 | H091 | 14.9° | 88.1° |
| H081 | C08 | C09 | H092 | 107.2° | 35.9° |
| H081 | C08 | C16 | H161 | 4.7° | 20.0° |
