XN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.41Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C03 | N04 | sing | 1.47Å | 1.44Å | |
| N04 | C05 | sing | 1.47Å | 1.45Å | |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C06 | N08 | sing | 1.35Å | 1.44Å | |
| C06 | O07 | doub | 1.21Å | 1.19Å | |
| N08 | C09 | sing | 1.46Å | 1.45Å | |
| O11 | C10 | sing | 1.43Å | 1.40Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| N04 | H11 | sing | 1.01Å | 1.00Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å | |
| O01 | H14 | sing | 0.97Å | 0.95Å | |
| O11 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 107.6° | 109.5° |
| O01 | C02 | H1 | 110.0° | 109.5° |
| O01 | C02 | H2 | 109.9° | 109.4° |
| C02 | O01 | H14 | 109.5° | 114.0° |
| C02 | C03 | N04 | 107.0° | 109.5° |
| C03 | C02 | H1 | 109.9° | 109.5° |
| C03 | C02 | H2 | 109.9° | 109.5° |
| C02 | C03 | H3 | 110.1° | 109.5° |
| C02 | C03 | H4 | 110.1° | 109.5° |
| C03 | N04 | C05 | 108.2° | 111.0° |
| N04 | C03 | H3 | 110.1° | 109.5° |
| N04 | C03 | H4 | 110.1° | 109.5° |
| C03 | N04 | H11 | 109.8° | 111.0° |
| N04 | C05 | C06 | 110.1° | 109.5° |
| N04 | C05 | H5 | 109.3° | 109.4° |
| N04 | C05 | H6 | 109.3° | 109.4° |
| C05 | N04 | H11 | 109.8° | 111.0° |
| C05 | C06 | N08 | 117.9° | 120.0° |
| C05 | C06 | O07 | 120.5° | 120.0° |
| C06 | C05 | H5 | 109.3° | 109.5° |
| C06 | C05 | H6 | 109.3° | 109.5° |
| N08 | C06 | O07 | 121.6° | 120.0° |
| C06 | N08 | C09 | 121.1° | 120.0° |
| C06 | N08 | H13 | 119.5° | 119.9° |
| N08 | C09 | C10 | 109.8° | 109.5° |
| N08 | C09 | H7 | 109.4° | 109.6° |
| N08 | C09 | H8 | 109.4° | 109.4° |
| C09 | N08 | H13 | 119.5° | 120.1° |
| O11 | C10 | C09 | 108.9° | 109.5° |
| O11 | C10 | H9 | 109.6° | 109.4° |
| O11 | C10 | H10 | 109.6° | 109.4° |
| C10 | O11 | H15 | 109.5° | 114.0° |
| C10 | C09 | H7 | 109.4° | 109.5° |
| C10 | C09 | H8 | 109.4° | 109.4° |
| C09 | C10 | H9 | 109.6° | 109.5° |
| C09 | C10 | H10 | 109.6° | 109.5° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H3 | C03 | H4 | 109.5° | 109.4° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H1 | 119.7° | 120.0° |
| O01 | C02 | C03 | H2 | 119.7° | 119.9° |
| O01 | C02 | C03 | N04 | 103.0° | 65.0° |
| O01 | C02 | H1 | H2 | 120.9° | 120.0° |
| O01 | C02 | C03 | H3 | 16.6° | 175.0° |
| O01 | C02 | C03 | H4 | 137.4° | 55.0° |
| C02 | C03 | N04 | H3 | 119.6° | 120.0° |
| C02 | C03 | N04 | H4 | 119.6° | 120.0° |
| C02 | C03 | N04 | C05 | 70.5° | 180.0° |
| C03 | C02 | H1 | H2 | 120.8° | 120.0° |
| C02 | C03 | H3 | H4 | 121.2° | 120.0° |
| C02 | C03 | N04 | H11 | 169.7° | 56.0° |
| C03 | C02 | O01 | H14 | 180.0° | 180.0° |
| C03 | N04 | C05 | H11 | 119.8° | 124.0° |
| C03 | N04 | C05 | C06 | 174.3° | 180.0° |
| N04 | C03 | C02 | H1 | 137.3° | 175.0° |
| N04 | C03 | C02 | H2 | 16.7° | 55.0° |
| N04 | C03 | H3 | H4 | 121.1° | 120.0° |
| C03 | N04 | C05 | H5 | 65.6° | 60.0° |
| C03 | N04 | C05 | H6 | 54.2° | 60.0° |
| N04 | C05 | C06 | H5 | 120.1° | 120.0° |
| N04 | C05 | C06 | H6 | 120.1° | 120.0° |
| N04 | C05 | C06 | N08 | 147.4° | 180.0° |
| N04 | C05 | C06 | O07 | 31.1° | 0.0° |
| C05 | N04 | C03 | H3 | 49.2° | 60.0° |
| C05 | N04 | C03 | H4 | 169.9° | 60.0° |
| N04 | C05 | H5 | H6 | 119.8° | 120.0° |
| C05 | C06 | N08 | O07 | 178.5° | 180.0° |
| C05 | C06 | N08 | C09 | 179.4° | 180.0° |
| C06 | C05 | H5 | H6 | 119.7° | 120.0° |
| C06 | C05 | N04 | H11 | 54.5° | 56.0° |
| C05 | C06 | N08 | H13 | 0.7° | 0.1° |
| C06 | N08 | C09 | H13 | 180.0° | 179.9° |
| C06 | N08 | C09 | C10 | 81.3° | 180.0° |
| N08 | C06 | C05 | H5 | 92.5° | 60.0° |
| N08 | C06 | C05 | H6 | 27.3° | 60.1° |
| C06 | N08 | C09 | H7 | 38.7° | 59.9° |
| C06 | N08 | C09 | H8 | 158.7° | 60.1° |
| O07 | C06 | N08 | C09 | 2.2° | 0.1° |
| O07 | C06 | C05 | H5 | 89.0° | 120.0° |
| O07 | C06 | C05 | H6 | 151.2° | 120.0° |
| O07 | C06 | N08 | H13 | 177.8° | 179.9° |
| N08 | C09 | C10 | O11 | 62.7° | 64.9° |
| N08 | C09 | C10 | H7 | 120.0° | 120.1° |
| N08 | C09 | C10 | H8 | 120.0° | 119.9° |
| N08 | C09 | H7 | H8 | 119.8° | 120.0° |
| N08 | C09 | C10 | H9 | 177.4° | 175.1° |
| N08 | C09 | C10 | H10 | 57.2° | 55.0° |
| O11 | C10 | C09 | H9 | 119.9° | 120.0° |
| O11 | C10 | C09 | H10 | 119.9° | 119.9° |
| O11 | C10 | C09 | H7 | 177.2° | 175.0° |
| O11 | C10 | C09 | H8 | 57.3° | 55.0° |
| O11 | C10 | H9 | H10 | 120.2° | 119.9° |
| C10 | C09 | H7 | H8 | 119.8° | 120.0° |
| C09 | C10 | H9 | H10 | 120.3° | 120.0° |
| C10 | C09 | N08 | H13 | 98.7° | 0.1° |
| C09 | C10 | O11 | H15 | 180.0° | 180.0° |
| H1 | C02 | C03 | H3 | 103.1° | 55.0° |
| H1 | C02 | C03 | H4 | 17.7° | 64.9° |
| H1 | C02 | O01 | H14 | 60.3° | 60.0° |
| H2 | C02 | C03 | H3 | 136.3° | 65.1° |
| H2 | C02 | C03 | H4 | 102.9° | 175.0° |
| H2 | C02 | O01 | H14 | 60.3° | 60.0° |
| H3 | C03 | N04 | H11 | 70.7° | 176.0° |
| H4 | C03 | N04 | H11 | 50.1° | 64.0° |
| H5 | C05 | N04 | H11 | 174.6° | 64.0° |
| H6 | C05 | N04 | H11 | 65.6° | 176.0° |
| H7 | C09 | C10 | H9 | 57.3° | 55.0° |
| H7 | C09 | C10 | H10 | 62.9° | 65.1° |
| H7 | C09 | N08 | H13 | 141.3° | 119.9° |
| H8 | C09 | C10 | H9 | 62.6° | 65.0° |
| H8 | C09 | C10 | H10 | 177.2° | 174.9° |
| H8 | C09 | N08 | H13 | 21.4° | 120.0° |
| H9 | C10 | O11 | H15 | 60.1° | 60.0° |
| H10 | C10 | O11 | H15 | 60.1° | 60.0° |
