A1AVP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | S01 | sing | 1.81Å | 1.85Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.56Å | |
| C10 | C09 | sing | 1.53Å | 1.57Å | |
| N11 | C10 | sing | 1.47Å | 1.48Å | |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| C12 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.47Å | 1.50Å | |
| O14 | C03 | doub | 1.21Å | 1.26Å | |
| C04 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H082 | 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 | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| N11 | H1 | sing | 1.01Å | 1.00Å | |
| N11 | H111 | sing | 1.01Å | 1.00Å | |
| S01 | H011 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S01 | C02 | C03 | 112.2° | 109.5° |
| S01 | C02 | H021 | 108.8° | 109.5° |
| S01 | C02 | H022 | 108.8° | 109.5° |
| C02 | S01 | H011 | 102.0° | 103.0° |
| C02 | C03 | C04 | 123.1° | 120.0° |
| C02 | C03 | O14 | 117.3° | 120.0° |
| C03 | C02 | H021 | 108.8° | 109.5° |
| C03 | C02 | H022 | 108.8° | 109.5° |
| C04 | C05 | C06 | 121.7° | 119.9° |
| C05 | C04 | C03 | 122.1° | 120.2° |
| C05 | C04 | C13 | 116.2° | 119.6° |
| C04 | C05 | H051 | 119.1° | 120.1° |
| C05 | C06 | C07 | 123.5° | 120.1° |
| C06 | C05 | H051 | 119.1° | 120.1° |
| C05 | C06 | H061 | 118.2° | 120.0° |
| C06 | C07 | C08 | 122.3° | 119.8° |
| C06 | C07 | C12 | 114.2° | 120.4° |
| C07 | C06 | H061 | 118.3° | 119.9° |
| C08 | C09 | C10 | 117.7° | 109.5° |
| C09 | C08 | C07 | 115.6° | 109.5° |
| C09 | C08 | H082 | 107.9° | 109.5° |
| C09 | C08 | H081 | 107.9° | 109.4° |
| C08 | C09 | H091 | 107.4° | 109.5° |
| C08 | C09 | H092 | 107.4° | 109.4° |
| C09 | C10 | N11 | 113.3° | 109.4° |
| C10 | C09 | H091 | 107.4° | 109.5° |
| C10 | C09 | H092 | 107.4° | 109.5° |
| C09 | C10 | H102 | 108.5° | 109.5° |
| C09 | C10 | H101 | 108.5° | 109.5° |
| N11 | C10 | H102 | 108.5° | 109.5° |
| N11 | C10 | H101 | 108.5° | 109.5° |
| C10 | N11 | H1 | 109.5° | 111.1° |
| C10 | N11 | H111 | 109.5° | 111.0° |
| C08 | C07 | C12 | 123.5° | 119.8° |
| C07 | C08 | H082 | 107.9° | 109.5° |
| C07 | C08 | H081 | 107.9° | 109.5° |
| C07 | C12 | C13 | 122.9° | 120.2° |
| C07 | C12 | H121 | 118.6° | 119.9° |
| C12 | C13 | C04 | 121.5° | 119.8° |
| C13 | C12 | H121 | 118.5° | 119.9° |
| C12 | C13 | H131 | 119.2° | 120.1° |
| C04 | C03 | O14 | 119.5° | 120.0° |
| C03 | C04 | C13 | 121.7° | 120.2° |
| C04 | C13 | H131 | 119.3° | 120.1° |
| H021 | C02 | H022 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H1 | N11 | H111 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S01 | C02 | C03 | H021 | 120.4° | 120.0° |
| S01 | C02 | C03 | H022 | 120.4° | 120.0° |
| S01 | C02 | C03 | C04 | 162.1° | 180.0° |
| S01 | C02 | C03 | O14 | 17.3° | 0.0° |
| S01 | C02 | H021 | H022 | 118.7° | 120.0° |
| C02 | C03 | C04 | C05 | 163.4° | 0.2° |
| C02 | C03 | C04 | O14 | 179.5° | 180.0° |
| C02 | C03 | C04 | C13 | 17.1° | 180.0° |
| C03 | C02 | H021 | H022 | 118.7° | 120.0° |
| C03 | C02 | S01 | H011 | 8.1° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C05 | C04 | C13 | C12 | 0.3° | 0.4° |
| C05 | C04 | C03 | C13 | 179.5° | 179.8° |
| C05 | C04 | C03 | O14 | 17.1° | 179.7° |
| C04 | C05 | C06 | H061 | 179.9° | 179.9° |
| C05 | C04 | C13 | H131 | 179.8° | 179.7° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 179.5° | 180.0° |
| C05 | C06 | C07 | C12 | 0.1° | 0.0° |
| C06 | C05 | C04 | C03 | 179.8° | 180.0° |
| C06 | C05 | C04 | C13 | 0.3° | 0.2° |
| C06 | C07 | C08 | C09 | 81.5° | 90.0° |
| C06 | C07 | C08 | C12 | 179.4° | 180.0° |
| C06 | C07 | C12 | C13 | 0.1° | 0.2° |
| C07 | C06 | C05 | H051 | 179.9° | 180.0° |
| C06 | C07 | C08 | H082 | 157.6° | 150.0° |
| C06 | C07 | C08 | H081 | 39.4° | 30.0° |
| C06 | C07 | C12 | H121 | 179.9° | 179.9° |
| C08 | C09 | C10 | H091 | 121.2° | 120.0° |
| C08 | C09 | C10 | H092 | 121.2° | 120.0° |
| C08 | C09 | C10 | N11 | 55.2° | 180.0° |
| C09 | C08 | C07 | H082 | 120.9° | 120.0° |
| C09 | C08 | C07 | H081 | 120.9° | 120.0° |
| C09 | C08 | C07 | C12 | 97.9° | 90.0° |
| C09 | C08 | H082 | H081 | 117.2° | 120.0° |
| C08 | C09 | H091 | H092 | 116.3° | 120.0° |
| C08 | C09 | C10 | H102 | 175.8° | 60.0° |
| C08 | C09 | C10 | H101 | 65.4° | 60.0° |
| C09 | C10 | N11 | H102 | 120.5° | 120.0° |
| C09 | C10 | N11 | H101 | 120.5° | 120.0° |
| C10 | C09 | C08 | C07 | 133.5° | 180.0° |
| C10 | C09 | C08 | H082 | 105.6° | 60.0° |
| C10 | C09 | C08 | H081 | 12.6° | 60.0° |
| C10 | C09 | H091 | H092 | 116.3° | 120.0° |
| C09 | C10 | H102 | H101 | 118.2° | 120.0° |
| C09 | C10 | N11 | H1 | 180.0° | 56.0° |
| C09 | C10 | N11 | H111 | 60.0° | 180.0° |
| N11 | C10 | C09 | H091 | 66.0° | 60.0° |
| N11 | C10 | C09 | H092 | 176.4° | 60.0° |
| N11 | C10 | H102 | H101 | 118.3° | 120.0° |
| C10 | N11 | H1 | H111 | 120.0° | 124.0° |
| C08 | C07 | C12 | C13 | 179.5° | 179.8° |
| C08 | C07 | C06 | H061 | 0.4° | 0.1° |
| C07 | C08 | H082 | H081 | 117.3° | 120.0° |
| C07 | C08 | C09 | H091 | 105.4° | 60.0° |
| C07 | C08 | C09 | H092 | 12.3° | 60.0° |
| C08 | C07 | C12 | H121 | 0.5° | 0.1° |
| C07 | C12 | C13 | H121 | 180.0° | 179.9° |
| C07 | C12 | C13 | C04 | 0.1° | 0.4° |
| C12 | C07 | C06 | H061 | 179.9° | 179.9° |
| C12 | C07 | C08 | H082 | 23.0° | 30.0° |
| C12 | C07 | C08 | H081 | 141.3° | 150.0° |
| C07 | C12 | C13 | H131 | 179.9° | 179.7° |
| C12 | C13 | C04 | C03 | 179.8° | 179.8° |
| C12 | C13 | C04 | H131 | 180.0° | 179.9° |
| C04 | C03 | C02 | H021 | 77.4° | 60.0° |
| C04 | C03 | C02 | H022 | 41.7° | 60.0° |
| C03 | C04 | C05 | H051 | 0.2° | 0.0° |
| C03 | C04 | C13 | H131 | 0.2° | 0.1° |
| O14 | C03 | C04 | C13 | 162.4° | 0.1° |
| O14 | C03 | C02 | H021 | 103.1° | 120.0° |
| O14 | C03 | C02 | H022 | 137.7° | 120.0° |
| C13 | C04 | C05 | H051 | 179.7° | 179.8° |
| C04 | C13 | C12 | H121 | 179.9° | 179.7° |
| H021 | C02 | S01 | H011 | 112.3° | 60.0° |
| H022 | C02 | S01 | H011 | 128.5° | 60.0° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H082 | C08 | C09 | H091 | 15.5° | 180.0° |
| H082 | C08 | C09 | H092 | 133.2° | 60.0° |
| H081 | C08 | C09 | H091 | 133.7° | 60.0° |
| H081 | C08 | C09 | H092 | 108.6° | 180.0° |
| H091 | C09 | C10 | H102 | 54.6° | 180.0° |
| H091 | C09 | C10 | H101 | 173.5° | 60.0° |
| H092 | C09 | C10 | H102 | 63.0° | 60.0° |
| H092 | C09 | C10 | H101 | 55.8° | 180.0° |
| H102 | C10 | N11 | H1 | 59.5° | 63.9° |
| H102 | C10 | N11 | H111 | 179.4° | 60.0° |
| H101 | C10 | N11 | H1 | 59.4° | 176.1° |
| H101 | C10 | N11 | H111 | 60.5° | 60.0° |
| H121 | C12 | C13 | H131 | 0.0° | 0.1° |
