XDV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.47Å | 1.45Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| O04 | C03 | sing | 1.43Å | 1.40Å | |
| O04 | C05 | sing | 1.43Å | 1.40Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | O07 | sing | 1.43Å | 1.40Å | |
| O07 | C08 | sing | 1.43Å | 1.40Å | |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| O11 | C09 | doub | 1.21Å | 1.19Å | |
| C09 | N10 | sing | 1.35Å | 1.45Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 109.0° | 109.5° |
| N01 | C02 | H021 | 109.6° | 109.5° |
| N01 | C02 | H022 | 109.6° | 109.4° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H2 | 109.4° | 111.0° |
| C02 | C03 | O04 | 107.3° | 109.5° |
| C03 | C02 | H021 | 109.6° | 109.5° |
| C03 | C02 | H022 | 109.6° | 109.5° |
| C02 | C03 | H032 | 110.0° | 109.5° |
| C02 | C03 | H031 | 110.0° | 109.4° |
| C03 | O04 | C05 | 115.1° | 114.0° |
| O04 | C03 | H032 | 110.0° | 109.5° |
| O04 | C03 | H031 | 110.0° | 109.4° |
| O04 | C05 | C06 | 107.7° | 109.5° |
| O04 | C05 | H052 | 109.9° | 109.4° |
| O04 | C05 | H051 | 109.9° | 109.5° |
| C05 | C06 | O07 | 108.3° | 109.4° |
| C06 | C05 | H052 | 109.9° | 109.5° |
| C06 | C05 | H051 | 109.9° | 109.5° |
| C05 | C06 | H062 | 109.7° | 109.5° |
| C05 | C06 | H061 | 109.8° | 109.5° |
| C06 | O07 | C08 | 115.6° | 114.0° |
| O07 | C06 | H062 | 109.8° | 109.5° |
| O07 | C06 | H061 | 109.8° | 109.5° |
| O07 | C08 | C09 | 108.3° | 109.5° |
| O07 | C08 | H082 | 109.8° | 109.5° |
| O07 | C08 | H081 | 109.8° | 109.5° |
| C08 | C09 | O11 | 120.4° | 120.0° |
| C08 | C09 | N10 | 119.6° | 120.0° |
| C09 | C08 | H082 | 109.8° | 109.5° |
| C09 | C08 | H081 | 109.8° | 109.5° |
| O11 | C09 | N10 | 120.0° | 119.9° |
| C09 | N10 | H101 | 120.0° | 120.0° |
| C09 | N10 | H102 | 120.0° | 120.0° |
| H101 | N10 | H102 | 120.0° | 120.0° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.4° |
| H1 | N01 | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H021 | 119.9° | 120.0° |
| N01 | C02 | C03 | H022 | 119.9° | 120.0° |
| N01 | C02 | C03 | O04 | 64.0° | 64.9° |
| N01 | C02 | H021 | H022 | 120.2° | 120.0° |
| N01 | C02 | C03 | H032 | 176.3° | 175.0° |
| N01 | C02 | C03 | H031 | 55.6° | 55.0° |
| C02 | N01 | H1 | H2 | 120.0° | 123.9° |
| C02 | C03 | O04 | H032 | 119.7° | 120.1° |
| C02 | C03 | O04 | H031 | 119.7° | 119.9° |
| C02 | C03 | O04 | C05 | 158.0° | 180.0° |
| C03 | C02 | H021 | H022 | 120.2° | 120.0° |
| C02 | C03 | H032 | H031 | 121.0° | 120.0° |
| C03 | C02 | N01 | H1 | 180.0° | 56.1° |
| C03 | C02 | N01 | H2 | 60.0° | 180.0° |
| C03 | O04 | C05 | C06 | 90.5° | 180.0° |
| O04 | C03 | C02 | H021 | 55.9° | 175.0° |
| O04 | C03 | C02 | H022 | 176.0° | 55.0° |
| O04 | C03 | H032 | H031 | 121.0° | 119.9° |
| C03 | O04 | C05 | H052 | 149.8° | 60.0° |
| C03 | O04 | C05 | H051 | 29.3° | 59.9° |
| O04 | C05 | C06 | H052 | 119.7° | 120.0° |
| O04 | C05 | C06 | H051 | 119.7° | 120.0° |
| O04 | C05 | C06 | O07 | 119.7° | 65.1° |
| C05 | O04 | C03 | H032 | 38.3° | 59.9° |
| C05 | O04 | C03 | H031 | 82.3° | 60.1° |
| O04 | C05 | H052 | H051 | 120.8° | 119.9° |
| O04 | C05 | C06 | H062 | 0.2° | 174.9° |
| O04 | C05 | C06 | H061 | 120.5° | 55.0° |
| C05 | C06 | O07 | H062 | 119.8° | 120.0° |
| C05 | C06 | O07 | H061 | 119.8° | 120.0° |
| C05 | C06 | O07 | C08 | 114.6° | 180.0° |
| C06 | C05 | H052 | H051 | 120.8° | 120.0° |
| C05 | C06 | H062 | H061 | 120.5° | 120.0° |
| C06 | O07 | C08 | C09 | 155.0° | 180.0° |
| O07 | C06 | C05 | H052 | 120.6° | 175.0° |
| O07 | C06 | C05 | H051 | 0.1° | 55.0° |
| O07 | C06 | H062 | H061 | 120.5° | 120.0° |
| C06 | O07 | C08 | H082 | 35.1° | 60.0° |
| C06 | O07 | C08 | H081 | 85.2° | 60.0° |
| O07 | C08 | C09 | H082 | 119.8° | 120.0° |
| O07 | C08 | C09 | H081 | 119.8° | 120.0° |
| O07 | C08 | C09 | O11 | 8.7° | 0.0° |
| O07 | C08 | C09 | N10 | 171.6° | 180.0° |
| C08 | O07 | C06 | H062 | 125.6° | 60.0° |
| C08 | O07 | C06 | H061 | 5.3° | 60.0° |
| O07 | C08 | H082 | H081 | 120.5° | 120.0° |
| C08 | C09 | O11 | N10 | 179.7° | 180.0° |
| C08 | C09 | N10 | H101 | 179.7° | 0.0° |
| C08 | C09 | N10 | H102 | 0.3° | 179.8° |
| C09 | C08 | H082 | H081 | 120.5° | 120.1° |
| O11 | C09 | N10 | H101 | 0.0° | 180.0° |
| O11 | C09 | N10 | H102 | 180.0° | 0.2° |
| O11 | C09 | C08 | H082 | 111.1° | 120.0° |
| O11 | C09 | C08 | H081 | 128.5° | 120.0° |
| C09 | N10 | H101 | H102 | 179.9° | 179.7° |
| N10 | C09 | C08 | H082 | 68.6° | 60.0° |
| N10 | C09 | C08 | H081 | 51.8° | 60.0° |
| H021 | C02 | C03 | H032 | 63.8° | 55.0° |
| H021 | C02 | C03 | H031 | 175.6° | 65.0° |
| H021 | C02 | N01 | H1 | 60.1° | 63.9° |
| H021 | C02 | N01 | H2 | 59.9° | 60.0° |
| H022 | C02 | C03 | H032 | 56.4° | 65.0° |
| H022 | C02 | C03 | H031 | 64.3° | 174.9° |
| H022 | C02 | N01 | H1 | 60.1° | 176.1° |
| H022 | C02 | N01 | H2 | 180.0° | 60.0° |
| H052 | C05 | C06 | H062 | 119.6° | 55.0° |
| H052 | C05 | C06 | H061 | 0.8° | 65.0° |
| H051 | C05 | C06 | H062 | 119.9° | 65.0° |
| H051 | C05 | C06 | H061 | 119.8° | 175.0° |
