A1I0D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.21Å | 1.24Å | |
| N06 | C04 | sing | 1.35Å | 1.44Å | |
| C07 | N06 | sing | 1.47Å | 1.49Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| N06 | C11 | sing | 1.47Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C04 | O1 | sing | 1.35Å | 57.14Å | |
| O1 | C1 | sing | 1.45Å | 0.00Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C1 | H1 | sing | 1.09Å | 0.00Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C2 | H3 | sing | 1.09Å | 0.00Å | |
| C2 | H4 | sing | 1.09Å | 0.00Å | |
| C2 | H5 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | N06 | 123.1° | 120.0° |
| O05 | C04 | O1 | 36.9° | 120.0° |
| C04 | N06 | C07 | 122.5° | 120.7° |
| C04 | N06 | C11 | 116.8° | 120.6° |
| N06 | C04 | O1 | 149.6° | 120.0° |
| N06 | C07 | C08 | 111.8° | 108.8° |
| C07 | N06 | C11 | 114.6° | 118.7° |
| N06 | C07 | H071 | 108.9° | 109.6° |
| N06 | C07 | H072 | 108.9° | 109.5° |
| C07 | C08 | C09 | 110.6° | 109.3° |
| C08 | C07 | H071 | 108.9° | 109.6° |
| C08 | C07 | H072 | 108.9° | 109.7° |
| C07 | C08 | H081 | 109.2° | 109.5° |
| C07 | C08 | H082 | 109.2° | 109.5° |
| C08 | C09 | C10 | 110.0° | 109.5° |
| C09 | C08 | H081 | 109.2° | 109.5° |
| C09 | C08 | H082 | 109.2° | 109.5° |
| C08 | C09 | H091 | 109.4° | 109.4° |
| C08 | C09 | H092 | 109.3° | 109.5° |
| C09 | C10 | C11 | 114.2° | 109.3° |
| C09 | C10 | H101 | 108.3° | 109.5° |
| C09 | C10 | H102 | 108.3° | 109.5° |
| C10 | C09 | H091 | 109.3° | 109.4° |
| C10 | C09 | H092 | 109.4° | 109.5° |
| C10 | C11 | N06 | 112.0° | 108.8° |
| C11 | C10 | H101 | 108.3° | 109.4° |
| C11 | C10 | H102 | 108.3° | 109.6° |
| C10 | C11 | H111 | 108.9° | 109.6° |
| C10 | C11 | H112 | 108.8° | 109.6° |
| N06 | C11 | H111 | 108.8° | 109.6° |
| N06 | C11 | H112 | 108.8° | 109.7° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.6° |
| H071 | C07 | H072 | 109.5° | 109.6° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| C04 | O1 | C1 | 90.0° | 117.0° |
| O1 | C1 | C2 | 90.0° | 109.4° |
| O1 | C1 | H1 | 90.0° | 109.5° |
| O1 | C1 | H2 | 90.0° | 109.5° |
| C2 | C1 | H1 | 90.0° | 109.4° |
| C2 | C1 | H2 | 90.0° | 109.5° |
| C1 | C2 | H3 | 90.0° | 109.5° |
| C1 | C2 | H4 | 90.0° | 109.4° |
| C1 | C2 | H5 | 90.0° | 109.5° |
| H1 | C1 | H2 | 90.0° | 109.5° |
| H3 | C2 | H4 | 90.0° | 109.5° |
| H3 | C2 | H5 | 90.0° | 109.5° |
| H4 | C2 | H5 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | N06 | O1 | 39.1° | 179.9° |
| O05 | C04 | N06 | C07 | 19.2° | 0.0° |
| O05 | C04 | N06 | C11 | 170.1° | 180.0° |
| O05 | C04 | O1 | C1 | 90.0° | 0.1° |
| C04 | N06 | C07 | C11 | 151.5° | 180.0° |
| C04 | N06 | C07 | C08 | 98.7° | 126.4° |
| C04 | N06 | C11 | C10 | 107.2° | 126.4° |
| C04 | N06 | C11 | H111 | 132.4° | 6.7° |
| C04 | N06 | C11 | H112 | 13.1° | 113.7° |
| C04 | N06 | C07 | H071 | 141.0° | 113.8° |
| C04 | N06 | C07 | H072 | 21.7° | 6.5° |
| N06 | C04 | O1 | C1 | 90.0° | 180.0° |
| N06 | C07 | C08 | H071 | 120.4° | 119.8° |
| N06 | C07 | C08 | H072 | 120.3° | 119.8° |
| N06 | C07 | C08 | C09 | 58.3° | 54.6° |
| C07 | N06 | C11 | C10 | 46.0° | 53.6° |
| C07 | N06 | C11 | H111 | 74.4° | 173.4° |
| C07 | N06 | C11 | H112 | 166.3° | 66.3° |
| N06 | C07 | H071 | H072 | 118.9° | 120.2° |
| N06 | C07 | C08 | H081 | 178.4° | 65.2° |
| N06 | C07 | C08 | H082 | 61.9° | 174.6° |
| C07 | N06 | C04 | O1 | 19.8° | 180.0° |
| C07 | C08 | C09 | H081 | 120.2° | 119.9° |
| C07 | C08 | C09 | H082 | 120.2° | 120.0° |
| C07 | C08 | C09 | C10 | 57.7° | 61.3° |
| C08 | C07 | N06 | C11 | 52.8° | 53.6° |
| C08 | C07 | H071 | H072 | 118.9° | 120.4° |
| C07 | C08 | H081 | H082 | 119.5° | 120.1° |
| C07 | C08 | C09 | H091 | 62.4° | 58.6° |
| C07 | C08 | C09 | H092 | 177.8° | 178.6° |
| C08 | C09 | C10 | H091 | 120.1° | 120.0° |
| C08 | C09 | C10 | H092 | 120.1° | 120.1° |
| C08 | C09 | C10 | C11 | 52.5° | 61.4° |
| C08 | C09 | C10 | H101 | 173.2° | 178.7° |
| C08 | C09 | C10 | H102 | 68.2° | 58.7° |
| C09 | C08 | C07 | H071 | 62.1° | 65.2° |
| C09 | C08 | C07 | H072 | 178.6° | 174.5° |
| C09 | C08 | H081 | H082 | 119.5° | 120.1° |
| C08 | C09 | H091 | H092 | 119.7° | 120.0° |
| C09 | C10 | C11 | H101 | 120.7° | 119.9° |
| C09 | C10 | C11 | H102 | 120.7° | 120.0° |
| C09 | C10 | C11 | N06 | 46.3° | 54.7° |
| C09 | C10 | H101 | H102 | 117.8° | 120.1° |
| C09 | C10 | C11 | H111 | 74.1° | 174.4° |
| C09 | C10 | C11 | H112 | 166.7° | 65.3° |
| C10 | C09 | C08 | H081 | 177.9° | 58.6° |
| C10 | C09 | C08 | H082 | 62.5° | 178.7° |
| C10 | C09 | H091 | H092 | 119.8° | 120.0° |
| C10 | C11 | N06 | H111 | 120.4° | 119.8° |
| C10 | C11 | N06 | H112 | 120.4° | 119.9° |
| C11 | C10 | H101 | H102 | 117.9° | 120.1° |
| C10 | C11 | H111 | H112 | 118.8° | 120.3° |
| C11 | C10 | C09 | H091 | 67.6° | 58.6° |
| C11 | C10 | C09 | H092 | 172.6° | 178.6° |
| N06 | C11 | C10 | H101 | 167.0° | 174.6° |
| N06 | C11 | C10 | H102 | 74.4° | 65.4° |
| N06 | C11 | H111 | H112 | 118.9° | 120.4° |
| C11 | N06 | C07 | H071 | 67.5° | 66.2° |
| C11 | N06 | C07 | H072 | 173.1° | 173.6° |
| C11 | N06 | C04 | O1 | 131.0° | 0.1° |
| H101 | C10 | C11 | H111 | 46.6° | 65.7° |
| H101 | C10 | C11 | H112 | 72.6° | 54.6° |
| H101 | C10 | C09 | H091 | 53.1° | 61.3° |
| H101 | C10 | C09 | H092 | 66.8° | 58.7° |
| H102 | C10 | C11 | H111 | 165.2° | 54.4° |
| H102 | C10 | C11 | H112 | 46.0° | 174.7° |
| H102 | C10 | C09 | H091 | 171.7° | 178.6° |
| H102 | C10 | C09 | H092 | 51.8° | 61.4° |
| H071 | C07 | C08 | H081 | 58.1° | 174.9° |
| H071 | C07 | C08 | H082 | 177.7° | 54.8° |
| H072 | C07 | C08 | H081 | 61.2° | 54.6° |
| H072 | C07 | C08 | H082 | 58.4° | 65.5° |
| H081 | C08 | C09 | H091 | 57.8° | 178.5° |
| H081 | C08 | C09 | H092 | 62.0° | 61.5° |
| H082 | C08 | C09 | H091 | 177.4° | 61.3° |
| H082 | C08 | C09 | H092 | 57.6° | 58.6° |
| C04 | O1 | C1 | C2 | 90.0° | 179.9° |
| C04 | O1 | C1 | H1 | 90.0° | 60.0° |
| C04 | O1 | C1 | H2 | 90.0° | 60.1° |
| O1 | C1 | C2 | H1 | 90.0° | 120.0° |
| O1 | C1 | C2 | H2 | 90.0° | 120.0° |
| O1 | C1 | H1 | H2 | 90.0° | 120.0° |
| O1 | C1 | C2 | H3 | 90.0° | 180.0° |
| O1 | C1 | C2 | H4 | 90.0° | 60.0° |
| O1 | C1 | C2 | H5 | 90.0° | 59.9° |
| C2 | C1 | H1 | H2 | 90.0° | 120.0° |
| C1 | C2 | H3 | H4 | 90.0° | 119.9° |
| C1 | C2 | H3 | H5 | 90.0° | 120.1° |
| C1 | C2 | H4 | H5 | 90.0° | 120.0° |
| H1 | C1 | C2 | H3 | 90.0° | 60.0° |
| H1 | C1 | C2 | H4 | 90.0° | NaN° |
| H1 | C1 | C2 | H5 | 90.0° | 60.0° |
| H2 | C1 | C2 | H3 | 90.0° | 60.0° |
| H2 | C1 | C2 | H4 | 90.0° | 60.0° |
| H2 | C1 | C2 | H5 | 90.0° | 179.9° |
| H3 | C2 | H4 | H5 | 90.0° | 120.1° |
