EGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C10 | doub | 1.21Å | 1.26Å | |
| C10 | O11 | sing | 1.35Å | 1.26Å | |
| C10 | C09 | sing | 1.49Å | 1.52Å | |
| C07 | C09 | sing | 1.51Å | 1.52Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C09 | O13 | doub | 1.21Å | 1.18Å | |
| O08 | C06 | sing | 1.43Å | 1.40Å | |
| C02 | C06 | sing | 1.53Å | 1.52Å | |
| C02 | N01 | sing | 1.47Å | 1.45Å | |
| N01 | C03 | sing | 1.38Å | 1.45Å | |
| C03 | N05 | doub | 1.30Å | 1.46Å | |
| C03 | N04 | sing | 1.38Å | 1.25Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| N04 | H7 | sing | 0.97Å | 1.00Å | |
| N04 | H8 | sing | 0.97Å | 1.00Å | |
| N05 | H9 | sing | 0.97Å | 1.00Å | |
| O08 | H10 | sing | 0.97Å | 0.95Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C10 | O11 | 121.6° | 120.0° |
| O12 | C10 | C09 | 118.3° | 120.0° |
| O11 | C10 | C09 | 120.1° | 120.0° |
| C10 | O11 | H11 | 109.5° | 117.0° |
| C10 | C09 | C07 | 117.7° | 120.0° |
| C10 | C09 | O13 | 120.6° | 120.0° |
| C09 | C07 | C06 | 110.1° | 109.5° |
| C07 | C09 | O13 | 121.6° | 120.0° |
| C09 | C07 | H4 | 109.3° | 109.5° |
| C09 | C07 | H5 | 109.3° | 109.4° |
| C07 | C06 | O08 | 108.6° | 109.4° |
| C07 | C06 | C02 | 107.3° | 109.5° |
| C07 | C06 | H3 | 110.8° | 109.5° |
| C06 | C07 | H4 | 109.3° | 109.5° |
| C06 | C07 | H5 | 109.3° | 109.4° |
| O08 | C06 | C02 | 106.5° | 109.5° |
| O08 | C06 | H3 | 112.6° | 109.5° |
| C06 | O08 | H10 | 109.5° | 114.0° |
| C06 | C02 | N01 | 114.7° | 109.4° |
| C06 | C02 | H1 | 108.1° | 109.5° |
| C06 | C02 | H2 | 108.2° | 109.4° |
| C02 | C06 | H3 | 110.8° | 109.4° |
| C02 | N01 | C03 | 120.2° | 120.0° |
| N01 | C02 | H1 | 108.2° | 109.5° |
| N01 | C02 | H2 | 108.2° | 109.4° |
| C02 | N01 | H6 | 119.9° | 120.0° |
| N01 | C03 | N05 | 120.4° | 120.0° |
| N01 | C03 | N04 | 118.9° | 120.0° |
| C03 | N01 | H6 | 119.9° | 120.0° |
| N05 | C03 | N04 | 120.7° | 120.0° |
| C03 | N05 | H9 | 112.0° | 120.1° |
| C03 | N04 | H7 | 120.0° | 120.0° |
| C03 | N04 | H8 | 120.0° | 120.0° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H7 | N04 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C10 | O11 | C09 | 179.0° | 179.7° |
| O12 | C10 | C09 | C07 | 2.4° | 0.3° |
| O12 | C10 | C09 | O13 | 176.8° | 179.7° |
| O12 | C10 | O11 | H11 | 0.0° | 0.3° |
| O11 | C10 | C09 | C07 | 178.6° | 180.0° |
| O11 | C10 | C09 | O13 | 2.2° | 0.0° |
| C10 | C09 | C07 | O13 | 179.2° | 180.0° |
| C10 | C09 | C07 | C06 | 154.4° | 180.0° |
| C10 | C09 | C07 | H4 | 85.6° | 60.0° |
| C10 | C09 | C07 | H5 | 34.3° | 60.0° |
| C09 | C10 | O11 | H11 | 179.0° | 180.0° |
| C09 | C07 | C06 | H4 | 120.1° | 120.0° |
| C09 | C07 | C06 | H5 | 120.1° | 119.9° |
| C09 | C07 | C06 | O08 | 70.5° | 65.0° |
| C09 | C07 | C06 | C02 | 174.8° | 175.0° |
| C09 | C07 | C06 | H3 | 53.7° | 55.0° |
| C09 | C07 | H4 | H5 | 119.7° | 120.0° |
| C06 | C07 | C09 | O13 | 26.4° | 0.0° |
| C07 | C06 | O08 | C02 | 115.3° | 120.0° |
| C07 | C06 | O08 | H3 | 123.1° | 120.0° |
| C07 | C06 | C02 | H3 | 121.1° | 120.0° |
| C07 | C06 | C02 | N01 | 92.0° | 175.0° |
| C07 | C06 | C02 | H1 | 28.8° | 55.0° |
| C07 | C06 | C02 | H2 | 147.3° | 65.0° |
| C06 | C07 | H4 | H5 | 119.7° | 120.0° |
| C07 | C06 | O08 | H10 | 180.0° | 60.0° |
| O13 | C09 | C07 | H4 | 93.7° | 120.0° |
| O13 | C09 | C07 | H5 | 146.5° | 120.0° |
| O08 | C06 | C02 | H3 | 122.8° | 120.0° |
| O08 | C06 | C02 | N01 | 151.9° | 65.0° |
| O08 | C06 | C02 | H1 | 87.3° | 175.0° |
| O08 | C06 | C02 | H2 | 31.2° | 54.9° |
| O08 | C06 | C07 | H4 | 169.4° | 55.0° |
| O08 | C06 | C07 | H5 | 49.6° | 175.0° |
| C06 | C02 | N01 | H1 | 120.7° | 120.0° |
| C06 | C02 | N01 | H2 | 120.8° | 119.9° |
| C06 | C02 | N01 | C03 | 79.9° | 180.0° |
| C06 | C02 | H1 | H2 | 117.6° | 120.0° |
| C02 | C06 | C07 | H4 | 54.7° | 65.0° |
| C02 | C06 | C07 | H5 | 65.1° | 55.0° |
| C06 | C02 | N01 | H6 | 100.1° | 0.1° |
| C02 | C06 | O08 | H10 | 64.7° | 60.0° |
| C02 | N01 | C03 | H6 | 180.0° | 179.9° |
| C02 | N01 | C03 | N05 | 2.5° | 179.9° |
| C02 | N01 | C03 | N04 | 178.4° | 0.1° |
| N01 | C02 | H1 | H2 | 117.6° | 120.0° |
| N01 | C02 | C06 | H3 | 29.2° | 55.0° |
| N01 | C03 | N05 | N04 | 179.1° | 180.0° |
| C03 | N01 | C02 | H1 | 159.3° | 60.0° |
| C03 | N01 | C02 | H2 | 40.8° | 60.1° |
| N01 | C03 | N04 | H7 | 179.1° | 180.0° |
| N01 | C03 | N04 | H8 | 0.9° | 0.1° |
| N01 | C03 | N05 | H9 | 179.1° | 179.9° |
| N05 | C03 | N01 | H6 | 177.5° | 0.0° |
| N05 | C03 | N04 | H7 | 0.0° | 0.0° |
| N05 | C03 | N04 | H8 | 180.0° | 180.0° |
| N04 | C03 | N01 | H6 | 1.6° | 180.0° |
| C03 | N04 | H7 | H8 | 179.9° | 180.0° |
| N04 | C03 | N05 | H9 | 0.0° | 0.1° |
| H1 | C02 | C06 | H3 | 149.9° | 65.0° |
| H1 | C02 | N01 | H6 | 20.7° | 120.0° |
| H2 | C02 | C06 | H3 | 91.6° | 174.9° |
| H2 | C02 | N01 | H6 | 139.2° | 120.0° |
| H3 | C06 | C07 | H4 | 66.4° | 175.0° |
| H3 | C06 | C07 | H5 | 173.8° | 65.0° |
| H3 | C06 | O08 | H10 | 56.9° | 180.0° |
