A1ABO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.51Å | 1.32Å | |
| C10 | N09 | sing | 1.48Å | 1.40Å | |
| C11 | C05 | sing | 1.55Å | 1.45Å | |
| N09 | C08 | sing | 1.48Å | 1.43Å | |
| C05 | N06 | sing | 1.40Å | 1.26Å | |
| C05 | C02 | sing | 1.53Å | 1.58Å | |
| F04 | C02 | sing | 1.40Å | 1.31Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| N06 | C07 | sing | 1.48Å | 1.47Å | |
| C02 | F03 | sing | 1.40Å | 1.37Å | |
| C02 | F01 | sing | 1.40Å | 1.36Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| N06 | H4 | sing | 1.01Å | 1.00Å | |
| N09 | H091 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N09 | 127.5° | 112.9° |
| C10 | C11 | C05 | 119.9° | 109.0° |
| C11 | C10 | H1 | 104.8° | 108.8° |
| C11 | C10 | H101 | 104.8° | 108.8° |
| C10 | C11 | H3 | 106.8° | 109.6° |
| C10 | C11 | H111 | 106.8° | 109.6° |
| C10 | N09 | C08 | 124.3° | 113.8° |
| N09 | C10 | H1 | 104.8° | 108.8° |
| N09 | C10 | H101 | 104.8° | 108.8° |
| C10 | N09 | H091 | 105.6° | 111.0° |
| C11 | C05 | N06 | 127.5° | 111.5° |
| C11 | C05 | C02 | 117.1° | 109.1° |
| C11 | C05 | H2 | 97.7° | 109.1° |
| C05 | C11 | H3 | 106.8° | 109.5° |
| C05 | C11 | H111 | 106.8° | 109.5° |
| N09 | C08 | C07 | 114.7° | 111.9° |
| N09 | C08 | H082 | 108.1° | 109.0° |
| N09 | C08 | H081 | 108.1° | 109.0° |
| C08 | N09 | H091 | 105.6° | 111.0° |
| N06 | C05 | C02 | 109.6° | 109.1° |
| C05 | N06 | C07 | 123.9° | 114.6° |
| N06 | C05 | H2 | 98.9° | 109.0° |
| C05 | N06 | H4 | 105.8° | 111.0° |
| C05 | C02 | F04 | 114.9° | 109.5° |
| C05 | C02 | F03 | 108.5° | 109.5° |
| C05 | C02 | F01 | 115.3° | 109.4° |
| C02 | C05 | H2 | 97.1° | 109.0° |
| F04 | C02 | F03 | 104.9° | 109.5° |
| F04 | C02 | F01 | 107.7° | 109.4° |
| C08 | C07 | N06 | 121.0° | 108.1° |
| C08 | C07 | H072 | 106.5° | 109.7° |
| C08 | C07 | H071 | 106.5° | 109.7° |
| C07 | C08 | H082 | 108.1° | 109.0° |
| C07 | C08 | H081 | 108.1° | 109.0° |
| N06 | C07 | H072 | 106.6° | 109.7° |
| N06 | C07 | H071 | 106.5° | 109.8° |
| C07 | N06 | H4 | 105.7° | 111.0° |
| F03 | C02 | F01 | 104.5° | 109.5° |
| H1 | C10 | H101 | 109.5° | 108.6° |
| H072 | C07 | H071 | 109.4° | 109.7° |
| H082 | C08 | H081 | 109.5° | 109.0° |
| H3 | C11 | H111 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N09 | H1 | 122.3° | 120.9° |
| C11 | C10 | N09 | H101 | 122.4° | 120.9° |
| C10 | C11 | C05 | H3 | 121.5° | 119.9° |
| C10 | C11 | C05 | H111 | 121.5° | 119.9° |
| C11 | C10 | N09 | C08 | 64.8° | 41.8° |
| C10 | C11 | C05 | N06 | 24.6° | 76.0° |
| C10 | C11 | C05 | C02 | 125.8° | 163.5° |
| C11 | C10 | H1 | H101 | 111.9° | 118.3° |
| C10 | C11 | C05 | H2 | 132.1° | 44.5° |
| C10 | C11 | H3 | H111 | 115.2° | 120.3° |
| C11 | C10 | N09 | H091 | 173.2° | 84.4° |
| N09 | C10 | C11 | C05 | 32.5° | 92.7° |
| C10 | N09 | C08 | H091 | 122.0° | 126.1° |
| C10 | N09 | C08 | C07 | 44.9° | 41.1° |
| N09 | C10 | H1 | H101 | 111.9° | 118.3° |
| C10 | N09 | C08 | H082 | 75.8° | 161.7° |
| C10 | N09 | C08 | H081 | 165.7° | 79.5° |
| N09 | C10 | C11 | H3 | 89.0° | 147.5° |
| N09 | C10 | C11 | H111 | 154.0° | 27.2° |
| C11 | C05 | N06 | C02 | 152.1° | 120.6° |
| C11 | C05 | N06 | H2 | 107.0° | 120.5° |
| C11 | C05 | C02 | H2 | 102.5° | 119.0° |
| C11 | C05 | C02 | F04 | 26.5° | 58.0° |
| C11 | C05 | N06 | C07 | 53.2° | 61.4° |
| C11 | C05 | C02 | F03 | 143.5° | 178.0° |
| C11 | C05 | C02 | F01 | 99.8° | 62.0° |
| C05 | C11 | C10 | H1 | 89.9° | 146.4° |
| C05 | C11 | C10 | H101 | 154.9° | 28.3° |
| C05 | C11 | H3 | H111 | 115.3° | 120.2° |
| C11 | C05 | N06 | H4 | 68.7° | 171.9° |
| N09 | C08 | C07 | H082 | 120.8° | 120.7° |
| N09 | C08 | C07 | H081 | 120.8° | 120.5° |
| N09 | C08 | C07 | N06 | 12.2° | 94.6° |
| C08 | N09 | C10 | H1 | 57.6° | 162.6° |
| C08 | N09 | C10 | H101 | 172.8° | 79.2° |
| N09 | C08 | C07 | H072 | 109.5° | 145.8° |
| N09 | C08 | C07 | H071 | 133.8° | 25.1° |
| N09 | C08 | H082 | H081 | 117.6° | 118.8° |
| N06 | C05 | C02 | H2 | 102.1° | 118.9° |
| N06 | C05 | C02 | F04 | 178.2° | 180.0° |
| C05 | N06 | C07 | C08 | 59.9° | 81.3° |
| C05 | N06 | C07 | H4 | 122.0° | 126.7° |
| N06 | C05 | C02 | F03 | 61.1° | 60.0° |
| N06 | C05 | C02 | F01 | 55.6° | 60.1° |
| C05 | N06 | C07 | H072 | 61.7° | 159.1° |
| C05 | N06 | C07 | H071 | 178.5° | 38.4° |
| N06 | C05 | C11 | H3 | 96.9° | 164.1° |
| N06 | C05 | C11 | H111 | 146.1° | 43.9° |
| C05 | C02 | F04 | F03 | 119.1° | 120.1° |
| C05 | C02 | F04 | F01 | 130.1° | 119.9° |
| C02 | C05 | N06 | C07 | 98.9° | 178.0° |
| C05 | C02 | F03 | F01 | 123.5° | 120.0° |
| C02 | C05 | C11 | H3 | 112.8° | 43.6° |
| C02 | C05 | C11 | H111 | 4.3° | 76.7° |
| C02 | C05 | N06 | H4 | 139.1° | 51.3° |
| F04 | C02 | F03 | F01 | 113.2° | 120.0° |
| F04 | C02 | C05 | H2 | 76.0° | 61.0° |
| C08 | C07 | N06 | H072 | 121.6° | 119.6° |
| C08 | C07 | N06 | H071 | 121.6° | 119.7° |
| C08 | C07 | H072 | H071 | 114.8° | 120.7° |
| C07 | C08 | H082 | H081 | 117.6° | 118.8° |
| C08 | C07 | N06 | H4 | 62.1° | 152.0° |
| C07 | C08 | N09 | H091 | 166.9° | 167.2° |
| C07 | N06 | C05 | H2 | 160.2° | 59.1° |
| N06 | C07 | H072 | H071 | 114.8° | 120.7° |
| N06 | C07 | C08 | H082 | 132.9° | 144.7° |
| N06 | C07 | C08 | H081 | 108.6° | 25.9° |
| F03 | C02 | C05 | H2 | 41.0° | 59.0° |
| F01 | C02 | C05 | H2 | 157.8° | 179.0° |
| H1 | C10 | C11 | H3 | 148.6° | 26.6° |
| H1 | C10 | C11 | H111 | 31.6° | 93.7° |
| H1 | C10 | N09 | H091 | 64.4° | 36.5° |
| H101 | C10 | C11 | H3 | 33.4° | 91.6° |
| H101 | C10 | C11 | H111 | 83.6° | 148.1° |
| H101 | C10 | N09 | H091 | 50.8° | 154.7° |
| H2 | C05 | C11 | H3 | 10.6° | 75.4° |
| H2 | C05 | C11 | H111 | 106.4° | 164.3° |
| H2 | C05 | N06 | H4 | 38.2° | 67.7° |
| H072 | C07 | C08 | H082 | 11.3° | 25.1° |
| H072 | C07 | C08 | H081 | 129.8° | 93.7° |
| H072 | C07 | N06 | H4 | 176.3° | 32.3° |
| H071 | C07 | C08 | H082 | 105.5° | 95.5° |
| H071 | C07 | C08 | H081 | 13.0° | 145.7° |
| H071 | C07 | N06 | H4 | 59.6° | 88.3° |
| H082 | C08 | N09 | H091 | 46.2° | 72.2° |
| H081 | C08 | N09 | H091 | 72.3° | 46.7° |
