XEN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C11 | sing | 1.35Å | 1.47Å | |
| C11 | O12 | doub | 1.22Å | 1.24Å | |
| C11 | C7 | sing | 1.41Å | 1.52Å | |
| C8 | C7 | sing | 1.50Å | 1.40Å | |
| C8 | C9 | sing | 1.53Å | 1.43Å | |
| C7 | C6 | doub | 1.34Å | 1.38Å | |
| C9 | C10 | sing | 1.53Å | 1.40Å | |
| C6 | N5 | sing | 1.37Å | 1.34Å | |
| C10 | N5 | sing | 1.47Å | 1.34Å | |
| N5 | C4 | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| N13 | H132 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C11 | O12 | 122.8° | 120.0° |
| N13 | C11 | C7 | 116.0° | 120.0° |
| C11 | N13 | H132 | 120.0° | 119.9° |
| C11 | N13 | H131 | 120.0° | 120.0° |
| O12 | C11 | C7 | 121.2° | 120.0° |
| C11 | C7 | C8 | 121.3° | 118.7° |
| C11 | C7 | C6 | 118.2° | 118.8° |
| C7 | C8 | C9 | 117.3° | 110.2° |
| C8 | C7 | C6 | 120.5° | 122.5° |
| C7 | C8 | H81 | 107.5° | 109.4° |
| C7 | C8 | H1 | 107.5° | 109.3° |
| C8 | C9 | C10 | 119.1° | 108.7° |
| C9 | C8 | H81 | 107.5° | 109.4° |
| C8 | C9 | H91 | 107.0° | 109.6° |
| C9 | C8 | H1 | 107.5° | 109.4° |
| C8 | C9 | H2 | 107.0° | 109.6° |
| C7 | C6 | N5 | 120.7° | 121.7° |
| C7 | C6 | H61 | 119.7° | 119.2° |
| C9 | C10 | N5 | 120.2° | 108.0° |
| C10 | C9 | H91 | 107.0° | 109.6° |
| C9 | C10 | H101 | 106.7° | 109.8° |
| C10 | C9 | H2 | 107.0° | 109.4° |
| C9 | C10 | H3 | 106.7° | 109.8° |
| C6 | N5 | C10 | 122.3° | 119.1° |
| C6 | N5 | C4 | 115.4° | 120.5° |
| N5 | C6 | H61 | 119.7° | 119.1° |
| C10 | N5 | C4 | 122.4° | 120.4° |
| N5 | C10 | H101 | 106.7° | 109.9° |
| N5 | C10 | H3 | 106.7° | 109.5° |
| N5 | C4 | C3 | 110.7° | 109.4° |
| N5 | C4 | H42 | 109.2° | 109.4° |
| N5 | C4 | H41 | 109.1° | 109.5° |
| C1 | C2 | C3 | 114.4° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C1 | C2 | H22 | 108.2° | 109.4° |
| C1 | C2 | H21 | 108.2° | 109.5° |
| C4 | C3 | C2 | 116.0° | 109.4° |
| C4 | C3 | H32 | 107.8° | 109.5° |
| C4 | C3 | H31 | 107.8° | 109.5° |
| C3 | C4 | H42 | 109.2° | 109.5° |
| C3 | C4 | H41 | 109.2° | 109.5° |
| C3 | C2 | H22 | 108.2° | 109.5° |
| C3 | C2 | H21 | 108.2° | 109.5° |
| C2 | C3 | H32 | 107.8° | 109.5° |
| C2 | C3 | H31 | 107.8° | 109.5° |
| H13 | C1 | H11 | 109.5° | 109.5° |
| H13 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H22 | C2 | H21 | 109.5° | 109.5° |
| H32 | C3 | H31 | 109.5° | 109.5° |
| H42 | C4 | H41 | 109.5° | 109.5° |
| H81 | C8 | H1 | 109.4° | 109.2° |
| H91 | C9 | H2 | 109.5° | 109.8° |
| H101 | C10 | H3 | 109.5° | 109.8° |
| H132 | N13 | H131 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C11 | O12 | C7 | 179.3° | 180.0° |
| N13 | C11 | C7 | C8 | 5.9° | 0.0° |
| N13 | C11 | C7 | C6 | 173.3° | 180.0° |
| C11 | N13 | H132 | H131 | 180.0° | 179.9° |
| O12 | C11 | C7 | C8 | 173.4° | 180.0° |
| O12 | C11 | C7 | C6 | 7.4° | 0.0° |
| O12 | C11 | N13 | H132 | 0.0° | 0.1° |
| O12 | C11 | N13 | H131 | 180.0° | 180.0° |
| C11 | C7 | C8 | C6 | 179.1° | 180.0° |
| C11 | C7 | C8 | C9 | 179.4° | 160.2° |
| C11 | C7 | C6 | N5 | 179.5° | 179.4° |
| C11 | C7 | C6 | H61 | 0.5° | 0.6° |
| C11 | C7 | C8 | H81 | 59.4° | 79.6° |
| C7 | C11 | N13 | H132 | 179.3° | 180.0° |
| C7 | C11 | N13 | H131 | 0.7° | 0.0° |
| C11 | C7 | C8 | H1 | 58.3° | 39.9° |
| C7 | C8 | C9 | H81 | 121.1° | 120.2° |
| C7 | C8 | C9 | H1 | 121.1° | 120.2° |
| C7 | C8 | C9 | C10 | 2.1° | 49.2° |
| C8 | C7 | C6 | N5 | 0.3° | 0.5° |
| C8 | C7 | C6 | H61 | 179.7° | 179.4° |
| C7 | C8 | H81 | H1 | 116.4° | 119.6° |
| C7 | C8 | C9 | H91 | 123.4° | 169.0° |
| C7 | C8 | C9 | H2 | 119.3° | 70.4° |
| C9 | C8 | C7 | C6 | 1.5° | 19.8° |
| C8 | C9 | C10 | H91 | 121.4° | 119.8° |
| C8 | C9 | C10 | H2 | 121.4° | 119.7° |
| C8 | C9 | C10 | N5 | 1.6° | 61.1° |
| C9 | C8 | H81 | H1 | 116.5° | 119.7° |
| C8 | C9 | H91 | H2 | 115.6° | 120.5° |
| C8 | C9 | C10 | H101 | 119.9° | 179.0° |
| C8 | C9 | C10 | H3 | 123.1° | 58.2° |
| C7 | C6 | N5 | H61 | 180.0° | 179.9° |
| C7 | C6 | N5 | C10 | 0.2° | 13.7° |
| C7 | C6 | N5 | C4 | 179.1° | 166.0° |
| C6 | C7 | C8 | H81 | 119.7° | 100.5° |
| C6 | C7 | C8 | H1 | 122.6° | 140.0° |
| C9 | C10 | N5 | C6 | 0.4° | 44.1° |
| C9 | C10 | N5 | H101 | 121.5° | 119.8° |
| C9 | C10 | N5 | H3 | 121.5° | 119.5° |
| C9 | C10 | N5 | C4 | 178.3° | 135.6° |
| C10 | C9 | C8 | H81 | 119.1° | 71.0° |
| C10 | C9 | H91 | H2 | 115.6° | 120.3° |
| C9 | C10 | H101 | H3 | 115.2° | 120.8° |
| C10 | C9 | C8 | H1 | 123.2° | 169.4° |
| C6 | N5 | C10 | C4 | 178.8° | 179.7° |
| C6 | N5 | C4 | C3 | 124.1° | 90.0° |
| C6 | N5 | C4 | H42 | 3.8° | 30.0° |
| C6 | N5 | C4 | H41 | 115.8° | 150.0° |
| C6 | N5 | C10 | H101 | 121.1° | 163.9° |
| C6 | N5 | C10 | H3 | 121.9° | 75.4° |
| C10 | N5 | C4 | C3 | 54.8° | 90.3° |
| C10 | N5 | C4 | H42 | 175.0° | 149.7° |
| C10 | N5 | C4 | H41 | 65.4° | 29.7° |
| C10 | N5 | C6 | H61 | 179.8° | 166.3° |
| N5 | C10 | C9 | H91 | 123.0° | 179.1° |
| N5 | C10 | H101 | H3 | 115.2° | 120.5° |
| N5 | C10 | C9 | H2 | 119.8° | 58.6° |
| N5 | C4 | C3 | H42 | 120.2° | 119.9° |
| N5 | C4 | C3 | H41 | 120.2° | 120.0° |
| N5 | C4 | C3 | C2 | 83.1° | 180.0° |
| N5 | C4 | C3 | H32 | 156.0° | 60.0° |
| N5 | C4 | C3 | H31 | 37.9° | 60.0° |
| N5 | C4 | H42 | H41 | 119.4° | 120.0° |
| C4 | N5 | C6 | H61 | 0.9° | 14.0° |
| C4 | N5 | C10 | H101 | 60.2° | 15.8° |
| C4 | N5 | C10 | H3 | 56.8° | 104.9° |
| C1 | C2 | C3 | C4 | 24.6° | NaN° |
| C1 | C2 | C3 | H22 | 120.7° | 120.0° |
| C1 | C2 | C3 | H21 | 120.7° | 120.0° |
| C2 | C1 | H13 | H11 | 120.0° | 120.0° |
| C2 | C1 | H13 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C1 | C2 | H22 | H21 | 117.7° | 120.0° |
| C1 | C2 | C3 | H32 | 145.6° | 60.0° |
| C1 | C2 | C3 | H31 | 96.3° | 60.0° |
| C4 | C3 | C2 | H32 | 121.0° | 120.0° |
| C4 | C3 | C2 | H31 | 120.9° | 120.0° |
| C4 | C3 | C2 | H22 | 145.3° | 60.0° |
| C4 | C3 | C2 | H21 | 96.1° | 60.0° |
| C4 | C3 | H32 | H31 | 117.0° | 120.0° |
| C3 | C4 | H42 | H41 | 119.4° | 120.1° |
| C3 | C2 | C1 | H13 | 180.0° | 60.0° |
| C3 | C2 | C1 | H11 | 60.0° | 60.0° |
| C3 | C2 | C1 | H12 | 60.0° | 180.0° |
| C3 | C2 | H22 | H21 | 117.8° | 120.0° |
| C2 | C3 | H32 | H31 | 117.1° | 120.0° |
| C2 | C3 | C4 | H42 | 37.2° | 60.1° |
| C2 | C3 | C4 | H41 | 156.8° | 60.0° |
| H13 | C1 | H11 | H12 | 120.0° | 120.0° |
| H13 | C1 | C2 | H22 | 59.3° | 60.0° |
| H13 | C1 | C2 | H21 | 59.3° | 180.0° |
| H11 | C1 | C2 | H22 | 60.8° | 180.0° |
| H11 | C1 | C2 | H21 | 179.3° | 60.0° |
| H12 | C1 | C2 | H22 | 179.2° | 60.1° |
| H12 | C1 | C2 | H21 | 60.7° | 60.0° |
| H22 | C2 | C3 | H32 | 93.7° | 180.0° |
| H22 | C2 | C3 | H31 | 24.4° | 60.0° |
| H21 | C2 | C3 | H32 | 24.9° | 60.0° |
| H21 | C2 | C3 | H31 | 143.0° | 180.0° |
| H32 | C3 | C4 | H42 | 83.8° | 179.9° |
| H32 | C3 | C4 | H41 | 35.8° | 60.0° |
| H31 | C3 | C4 | H42 | 158.1° | 59.9° |
| H31 | C3 | C4 | H41 | 82.3° | 180.0° |
| H81 | C8 | C9 | H91 | 2.3° | 48.8° |
| H81 | C8 | C9 | H2 | 119.6° | 169.4° |
| H91 | C9 | C10 | H101 | 1.5° | 59.2° |
| H91 | C9 | C8 | H1 | 115.4° | 70.8° |
| H91 | C9 | C10 | H3 | 115.6° | 61.6° |
| H101 | C10 | C9 | H2 | 118.8° | 61.3° |
| H1 | C8 | C9 | H2 | 1.8° | 49.9° |
| H2 | C9 | C10 | H3 | 1.7° | 177.9° |
