N8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O27 | sing | 1.46Å | 1.43Å | |
| C6 | C5 | sing | 1.54Å | 1.56Å | |
| O27 | C29 | sing | 1.34Å | 1.37Å | |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C5 | N1 | sing | 1.48Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C29 | N1 | sing | 1.33Å | 1.34Å | |
| C29 | O32 | doub | 1.22Å | 1.24Å | |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C2 | N2 | sing | 1.47Å | 1.50Å | |
| N2 | C7 | sing | 1.35Å | 1.36Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C6 | C5 | 101.2° | 104.0° |
| C6 | O27 | C29 | 109.6° | 109.5° |
| O27 | C6 | H10 | 111.5° | 110.6° |
| O27 | C6 | H11 | 111.5° | 110.5° |
| C6 | C5 | C4 | 111.0° | 110.6° |
| C6 | C5 | N1 | 103.5° | 103.4° |
| C6 | C5 | H9 | 110.4° | 112.2° |
| C5 | C6 | H10 | 111.5° | 110.5° |
| C5 | C6 | H11 | 111.5° | 110.5° |
| O27 | C29 | N1 | 110.9° | 113.6° |
| O27 | C29 | O32 | 125.0° | 123.2° |
| O4 | C4 | C5 | 109.0° | 109.7° |
| O4 | C4 | C3 | 107.6° | 109.6° |
| O4 | C4 | H7 | 109.8° | 109.6° |
| C4 | O4 | H8 | 109.5° | 113.9° |
| C4 | C5 | N1 | 110.0° | 107.4° |
| C5 | C4 | C3 | 113.9° | 108.8° |
| C5 | C4 | H7 | 108.3° | 109.6° |
| C4 | C5 | H9 | 110.2° | 111.4° |
| C5 | N1 | C29 | 108.8° | 108.8° |
| C5 | N1 | C1 | 120.3° | 122.7° |
| N1 | C5 | H9 | 111.6° | 111.5° |
| C4 | C3 | O3 | 107.9° | 109.3° |
| C4 | C3 | C2 | 113.1° | 110.4° |
| C4 | C3 | H5 | 108.5° | 109.2° |
| C3 | C4 | H7 | 108.3° | 109.6° |
| N1 | C29 | O32 | 124.0° | 123.2° |
| C29 | N1 | C1 | 130.7° | 128.4° |
| N1 | C1 | C2 | 111.7° | 107.4° |
| N1 | C1 | H1 | 108.9° | 109.9° |
| N1 | C1 | H2 | 108.9° | 109.9° |
| O3 | C3 | C2 | 108.8° | 109.3° |
| O3 | C3 | H5 | 110.2° | 109.3° |
| C3 | O3 | H6 | 109.5° | 114.0° |
| C3 | C2 | C1 | 110.1° | 109.8° |
| C3 | C2 | N2 | 112.3° | 109.4° |
| C3 | C2 | H3 | 107.6° | 109.4° |
| C2 | C3 | H5 | 108.4° | 109.2° |
| C1 | C2 | N2 | 110.2° | 109.4° |
| C2 | C1 | H1 | 108.9° | 109.9° |
| C2 | C1 | H2 | 108.9° | 109.9° |
| C1 | C2 | H3 | 108.0° | 109.4° |
| C2 | N2 | C7 | 122.2° | 120.0° |
| N2 | C2 | H3 | 108.5° | 109.4° |
| C2 | N2 | H4 | 118.9° | 120.0° |
| N2 | C7 | O7 | 124.5° | 120.0° |
| N2 | C7 | C8 | 116.8° | 120.0° |
| C7 | N2 | H4 | 118.9° | 120.0° |
| O7 | C7 | C8 | 118.7° | 120.0° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.9° |
| H10 | C6 | H11 | 109.5° | 110.6° |
| H12 | C8 | H13 | 109.4° | 109.4° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C6 | C5 | H10 | 118.7° | 118.7° |
| O27 | C6 | C5 | H11 | 118.7° | 118.6° |
| O27 | C6 | C5 | C4 | 138.1° | 121.2° |
| O27 | C6 | C5 | N1 | 20.1° | 6.5° |
| C6 | O27 | C29 | N1 | 20.3° | 3.4° |
| C6 | O27 | C29 | O32 | 162.9° | 176.6° |
| O27 | C6 | C5 | H9 | 99.5° | 113.8° |
| O27 | C6 | H10 | H11 | 123.9° | 122.7° |
| C5 | C6 | O27 | C29 | 24.5° | 2.4° |
| C6 | C5 | C4 | O4 | 38.5° | 45.7° |
| C6 | C5 | C4 | N1 | 113.9° | 112.1° |
| C6 | C5 | C4 | H9 | 122.6° | 125.5° |
| C6 | C5 | N1 | H9 | 118.7° | 120.7° |
| C6 | C5 | C4 | C3 | 158.6° | 165.5° |
| C6 | C5 | N1 | C29 | 9.7° | 8.7° |
| C6 | C5 | N1 | C1 | 166.3° | 168.9° |
| C6 | C5 | C4 | H7 | 80.9° | 74.7° |
| C5 | C6 | H10 | H11 | 123.8° | 122.7° |
| O27 | C29 | N1 | C5 | 5.6° | 7.9° |
| O27 | C29 | N1 | O32 | 176.8° | 180.0° |
| O27 | C29 | N1 | C1 | 179.0° | 169.5° |
| C29 | O27 | C6 | H10 | 94.1° | 121.1° |
| C29 | O27 | C6 | H11 | 143.2° | 116.2° |
| O4 | C4 | C5 | C3 | 120.1° | 119.8° |
| O4 | C4 | C5 | H7 | 119.3° | 120.4° |
| O4 | C4 | C5 | N1 | 75.5° | 66.5° |
| O4 | C4 | C3 | H7 | 118.6° | 120.3° |
| O4 | C4 | C3 | O3 | 49.2° | 63.5° |
| O4 | C4 | C3 | C2 | 71.2° | 56.8° |
| O4 | C4 | C3 | H5 | 168.6° | 176.9° |
| O4 | C4 | C5 | H9 | 161.0° | 171.2° |
| C4 | C5 | N1 | H9 | 122.7° | 122.3° |
| C5 | C4 | C3 | H7 | 120.5° | 119.8° |
| C4 | C5 | N1 | C29 | 128.3° | 125.7° |
| C4 | C5 | N1 | C1 | 47.7° | 51.9° |
| C5 | C4 | C3 | O3 | 170.0° | 176.6° |
| C5 | C4 | C3 | C2 | 49.6° | 63.1° |
| C5 | C4 | C3 | H5 | 70.6° | 57.0° |
| C5 | C4 | O4 | H8 | 180.0° | 179.4° |
| C4 | C5 | C6 | H10 | 19.4° | 120.1° |
| C4 | C5 | C6 | H11 | 103.3° | 2.6° |
| N1 | C5 | C4 | C3 | 44.6° | 53.4° |
| C5 | N1 | C29 | C1 | 175.5° | 177.4° |
| C5 | N1 | C29 | O32 | 177.6° | 172.1° |
| C5 | N1 | C1 | C2 | 52.4° | 50.6° |
| C5 | N1 | C1 | H1 | 67.9° | 170.1° |
| C5 | N1 | C1 | H2 | 172.8° | 68.9° |
| N1 | C5 | C4 | H7 | 165.2° | 173.2° |
| N1 | C5 | C6 | H10 | 98.6° | 125.2° |
| N1 | C5 | C6 | H11 | 138.8° | 112.1° |
| C4 | C3 | O3 | C2 | 123.0° | 121.0° |
| C4 | C3 | O3 | H5 | 118.3° | 119.4° |
| C4 | C3 | C2 | H5 | 120.3° | 120.1° |
| C4 | C3 | C2 | C1 | 51.8° | 62.3° |
| C4 | C3 | C2 | N2 | 174.9° | 177.6° |
| C4 | C3 | C2 | H3 | 65.7° | 57.8° |
| C4 | C3 | O3 | H6 | 180.0° | 59.1° |
| C3 | C4 | O4 | H8 | 56.1° | 60.0° |
| C3 | C4 | C5 | H9 | 78.9° | 69.0° |
| C29 | N1 | C1 | C2 | 122.6° | 126.5° |
| C29 | N1 | C1 | H1 | 117.1° | 7.0° |
| C29 | N1 | C1 | H2 | 2.2° | 114.1° |
| C29 | N1 | C5 | H9 | 109.0° | 112.0° |
| O32 | C29 | N1 | C1 | 2.2° | 10.5° |
| N1 | C1 | C2 | C3 | 50.7° | 51.5° |
| N1 | C1 | C2 | H1 | 120.3° | 119.5° |
| N1 | C1 | C2 | H2 | 120.3° | 119.5° |
| N1 | C1 | C2 | N2 | 175.1° | 171.6° |
| N1 | C1 | H1 | H2 | 119.0° | 121.1° |
| N1 | C1 | C2 | H3 | 66.5° | 68.5° |
| C1 | N1 | C5 | H9 | 75.0° | 70.4° |
| O3 | C3 | C2 | H5 | 119.9° | 119.6° |
| O3 | C3 | C2 | C1 | 171.6° | 177.4° |
| O3 | C3 | C2 | N2 | 65.2° | 57.3° |
| O3 | C3 | C2 | H3 | 54.2° | 62.5° |
| O3 | C3 | C4 | H7 | 69.4° | 56.8° |
| C3 | C2 | C1 | N2 | 124.4° | 120.1° |
| C3 | C2 | C1 | H3 | 117.2° | 120.0° |
| C3 | C2 | N2 | H3 | 118.9° | 119.8° |
| C3 | C2 | N2 | C7 | 179.7° | 154.7° |
| C3 | C2 | C1 | H1 | 69.6° | 171.0° |
| C3 | C2 | C1 | H2 | 171.1° | 68.0° |
| C3 | C2 | N2 | H4 | 0.3° | 25.3° |
| C2 | C3 | O3 | H6 | 57.0° | 179.9° |
| C2 | C3 | C4 | H7 | 170.2° | 177.1° |
| C1 | C2 | N2 | H3 | 118.0° | 119.9° |
| C1 | C2 | N2 | C7 | 56.6° | 85.0° |
| C2 | C1 | H1 | H2 | 119.0° | 121.0° |
| C1 | C2 | N2 | H4 | 123.4° | 95.0° |
| C1 | C2 | C3 | H5 | 68.5° | 57.8° |
| C2 | N2 | C7 | H4 | 180.0° | 180.0° |
| C2 | N2 | C7 | O7 | 2.0° | 0.0° |
| C2 | N2 | C7 | C8 | 178.5° | 180.0° |
| N2 | C2 | C1 | H1 | 54.8° | 68.9° |
| N2 | C2 | C1 | H2 | 64.6° | 52.1° |
| N2 | C2 | C3 | H5 | 54.7° | 62.3° |
| N2 | C7 | O7 | C8 | 179.5° | 180.0° |
| C7 | N2 | C2 | H3 | 61.4° | 34.9° |
| N2 | C7 | C8 | H12 | 179.6° | 0.0° |
| N2 | C7 | C8 | H13 | 60.4° | 120.0° |
| N2 | C7 | C8 | H14 | 59.6° | 120.1° |
| O7 | C7 | N2 | H4 | 178.0° | 180.0° |
| O7 | C7 | C8 | H12 | 0.0° | 180.0° |
| O7 | C7 | C8 | H13 | 120.0° | 60.0° |
| O7 | C7 | C8 | H14 | 120.0° | 60.0° |
| C8 | C7 | N2 | H4 | 1.5° | 0.1° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H14 | 120.0° | 120.1° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| H1 | C1 | C2 | H3 | 173.2° | 50.9° |
| H2 | C1 | C2 | H3 | 53.8° | 172.0° |
| H3 | C2 | N2 | H4 | 118.6° | 145.1° |
| H3 | C2 | C3 | H5 | 174.0° | 177.9° |
| H5 | C3 | O3 | H6 | 61.7° | 60.4° |
| H5 | C3 | C4 | H7 | 50.0° | 62.8° |
| H7 | C4 | O4 | H8 | 61.6° | 60.3° |
| H7 | C4 | C5 | H9 | 41.7° | 50.8° |
| H9 | C5 | C6 | H10 | 141.9° | 4.9° |
| H9 | C5 | C6 | H11 | 19.2° | 127.7° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |






