8P5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | N17 | doub | 1.12Å | 1.14Å | |
| N17 | N16 | doub | 1.12Å | 1.37Å | |
| N16 | C15 | sing | 1.46Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| O10 | C9 | doub | 1.21Å | 1.24Å | |
| C12 | N11 | sing | 1.46Å | 1.44Å | |
| C9 | N11 | sing | 1.35Å | 1.31Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.52Å | 1.55Å | |
| C8 | C1 | sing | 1.54Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C7 | C1 | sing | 1.52Å | 1.51Å | |
| C7 | C5 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.52Å | 1.54Å | |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C2 | C3 | sing | 1.51Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| N11 | H19 | sing | 0.97Å | 1.00Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N17 | N16 | 174.8° | 180.0° |
| N17 | N1 | H24 | 112.0° | 120.1° |
| N17 | N16 | C15 | 117.7° | 120.0° |
| N16 | C15 | C14 | 111.5° | 109.5° |
| N16 | C15 | H17 | 108.9° | 109.5° |
| N16 | C15 | H18 | 108.9° | 109.5° |
| C15 | C14 | C13 | 107.1° | 109.5° |
| C15 | C14 | H15 | 110.1° | 109.4° |
| C15 | C14 | H16 | 110.1° | 109.5° |
| C14 | C15 | H17 | 109.0° | 109.5° |
| C14 | C15 | H18 | 109.0° | 109.5° |
| C14 | C13 | C12 | 111.2° | 109.5° |
| C14 | C13 | H13 | 109.0° | 109.5° |
| C14 | C13 | H14 | 109.0° | 109.5° |
| C13 | C14 | H15 | 110.1° | 109.5° |
| C13 | C14 | H16 | 110.0° | 109.5° |
| C13 | C12 | N11 | 108.2° | 109.5° |
| C13 | C12 | H11 | 109.8° | 109.5° |
| C13 | C12 | H12 | 109.8° | 109.4° |
| C12 | C13 | H13 | 109.0° | 109.5° |
| C12 | C13 | H14 | 109.0° | 109.5° |
| O10 | C9 | N11 | 123.2° | 120.0° |
| O10 | C9 | C8 | 119.8° | 120.0° |
| C12 | N11 | C9 | 117.9° | 120.0° |
| N11 | C12 | H11 | 109.8° | 109.5° |
| N11 | C12 | H12 | 109.8° | 109.5° |
| C12 | N11 | H19 | 121.1° | 120.0° |
| N11 | C9 | C8 | 115.8° | 120.0° |
| C9 | N11 | H19 | 121.1° | 120.0° |
| C9 | C8 | C7 | 113.4° | 117.6° |
| C9 | C8 | C1 | 124.9° | 117.6° |
| C9 | C8 | H9 | 116.0° | 115.6° |
| C7 | C8 | C1 | 58.6° | 59.6° |
| C8 | C7 | C1 | 60.3° | 60.7° |
| C8 | C7 | C5 | 112.7° | 120.4° |
| C8 | C7 | H8 | 115.2° | 115.1° |
| C7 | C8 | H9 | 115.0° | 117.6° |
| C8 | C1 | C7 | 61.0° | 59.7° |
| C8 | C1 | C2 | 119.4° | 116.3° |
| C1 | C8 | H9 | 115.2° | 117.6° |
| C8 | C1 | H20 | 116.1° | 116.9° |
| O6 | C6 | C5 | 108.7° | 109.5° |
| O6 | C6 | H5 | 109.7° | 109.5° |
| O6 | C6 | H6 | 109.7° | 109.5° |
| C6 | O6 | H10 | 109.5° | 114.0° |
| C6 | C5 | C7 | 106.2° | 108.8° |
| C6 | C5 | C4 | 108.9° | 108.8° |
| C6 | C5 | H3 | 109.8° | 108.8° |
| C5 | C6 | H5 | 109.7° | 109.5° |
| C5 | C6 | H6 | 109.6° | 109.4° |
| C1 | C7 | C5 | 123.7° | 120.2° |
| C7 | C1 | C2 | 116.1° | 120.6° |
| C1 | C7 | H8 | 115.9° | 115.7° |
| C7 | C1 | H20 | 116.6° | 117.1° |
| C7 | C5 | C4 | 112.2° | 112.6° |
| C7 | C5 | H3 | 109.8° | 108.9° |
| C5 | C7 | H8 | 116.0° | 114.5° |
| C1 | C2 | C3 | 115.5° | 112.3° |
| C1 | C2 | O2 | 107.4° | 108.9° |
| C2 | C1 | H20 | 116.2° | 115.0° |
| C1 | C2 | H21 | 107.4° | 108.9° |
| C5 | C4 | O4 | 109.6° | 108.8° |
| C5 | C4 | C3 | 108.9° | 112.9° |
| C5 | C4 | H2 | 108.0° | 108.8° |
| C4 | C5 | H3 | 109.9° | 108.9° |
| O4 | C4 | C3 | 113.9° | 108.8° |
| O4 | C4 | H2 | 108.7° | 108.8° |
| C4 | O4 | H4 | 109.5° | 114.0° |
| C4 | C3 | C2 | 115.5° | 112.8° |
| C4 | C3 | O3 | 106.4° | 108.8° |
| C3 | C4 | H2 | 107.6° | 108.8° |
| C4 | C3 | H23 | 107.8° | 108.9° |
| C3 | C2 | O2 | 110.6° | 108.9° |
| C2 | C3 | O3 | 110.0° | 108.8° |
| C3 | C2 | H21 | 107.1° | 108.9° |
| C2 | C3 | H23 | 107.7° | 108.8° |
| O2 | C2 | H21 | 108.6° | 108.8° |
| C2 | O2 | H22 | 109.5° | 114.0° |
| C3 | O3 | H1 | 109.5° | 114.0° |
| O3 | C3 | H23 | 109.2° | 108.7° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N17 | N16 | C15 | 5.5° | 93.7° |
| N17 | N16 | C15 | C14 | 137.6° | 120.0° |
| N17 | N16 | C15 | H17 | 102.0° | 0.0° |
| N17 | N16 | C15 | H18 | 17.3° | 119.9° |
| N16 | N17 | N1 | H24 | 0.0° | 3.7° |
| N16 | C15 | C14 | H17 | 120.3° | 120.0° |
| N16 | C15 | C14 | H18 | 120.3° | 120.0° |
| N16 | C15 | C14 | C13 | 68.0° | 180.0° |
| N16 | C15 | C14 | H15 | 172.4° | 59.9° |
| N16 | C15 | C14 | H16 | 51.6° | 60.0° |
| N16 | C15 | H17 | H18 | 119.0° | 120.0° |
| C15 | C14 | C13 | H15 | 119.7° | 120.0° |
| C15 | C14 | C13 | H16 | 119.6° | 120.0° |
| C15 | C14 | C13 | C12 | 170.0° | NaN° |
| C15 | C14 | C13 | H13 | 69.7° | 60.0° |
| C15 | C14 | C13 | H14 | 49.7° | 60.0° |
| C15 | C14 | H15 | H16 | 121.1° | 120.0° |
| C14 | C15 | H17 | H18 | 119.1° | 120.0° |
| C14 | C13 | C12 | H13 | 120.3° | 120.0° |
| C14 | C13 | C12 | H14 | 120.2° | 120.0° |
| C14 | C13 | C12 | N11 | 114.8° | 180.0° |
| C14 | C13 | C12 | H11 | 4.9° | 60.0° |
| C14 | C13 | C12 | H12 | 125.4° | 60.0° |
| C14 | C13 | H13 | H14 | 119.2° | 119.9° |
| C13 | C14 | H15 | H16 | 121.1° | 120.0° |
| C13 | C14 | C15 | H17 | 52.3° | 60.0° |
| C13 | C14 | C15 | H18 | 171.7° | 60.0° |
| C13 | C12 | N11 | H11 | 119.8° | 120.0° |
| C13 | C12 | N11 | H12 | 119.8° | 120.0° |
| C13 | C12 | N11 | C9 | 101.1° | 180.0° |
| C13 | C12 | H11 | H12 | 120.6° | 119.9° |
| C12 | C13 | H13 | H14 | 119.2° | 120.0° |
| C12 | C13 | C14 | H15 | 50.3° | 60.0° |
| C12 | C13 | C14 | H16 | 70.4° | 60.0° |
| C13 | C12 | N11 | H19 | 78.9° | 0.0° |
| O10 | C9 | N11 | C12 | 29.1° | 0.0° |
| O10 | C9 | N11 | C8 | 167.2° | 179.9° |
| O10 | C9 | C8 | C7 | 90.7° | 0.1° |
| O10 | C9 | C8 | C1 | 157.7° | 68.1° |
| O10 | C9 | C8 | H9 | 45.7° | 146.0° |
| O10 | C9 | N11 | H19 | 150.8° | 179.9° |
| C12 | N11 | C9 | H19 | 180.0° | 180.0° |
| C12 | N11 | C9 | C8 | 138.1° | 180.0° |
| N11 | C12 | H11 | H12 | 120.6° | 120.1° |
| N11 | C12 | C13 | H13 | 124.9° | 60.0° |
| N11 | C12 | C13 | H14 | 5.4° | 60.0° |
| N11 | C9 | C8 | C7 | 77.0° | 180.0° |
| N11 | C9 | C8 | C1 | 10.0° | 111.8° |
| N11 | C9 | C8 | H9 | 146.6° | 34.1° |
| C9 | N11 | C12 | H11 | 18.7° | 60.0° |
| C9 | N11 | C12 | H12 | 139.1° | 60.0° |
| C9 | C8 | C7 | C1 | 117.8° | 107.4° |
| C9 | C8 | C7 | H9 | 136.8° | 145.2° |
| C9 | C8 | C1 | H9 | 156.8° | 145.2° |
| C9 | C8 | C7 | C5 | 125.2° | 142.8° |
| C9 | C8 | C1 | C2 | 156.5° | 140.9° |
| C9 | C8 | C7 | H8 | 11.1° | 0.7° |
| C8 | C9 | N11 | H19 | 41.9° | 0.0° |
| C9 | C8 | C1 | H20 | 9.3° | 0.3° |
| C7 | C8 | C1 | H9 | 105.1° | 107.4° |
| C8 | C7 | C5 | C6 | 70.1° | 68.3° |
| C8 | C7 | C1 | C5 | 98.9° | 110.2° |
| C8 | C7 | C1 | H8 | 105.6° | 105.6° |
| C8 | C7 | C5 | H8 | 136.0° | 143.8° |
| C7 | C8 | C1 | C2 | 105.4° | 111.7° |
| C8 | C7 | C5 | C4 | 48.8° | 52.5° |
| C8 | C7 | C5 | H3 | 171.3° | 173.3° |
| C7 | C8 | C1 | H20 | 107.4° | 107.1° |
| C8 | C1 | C2 | H20 | 147.2° | 141.9° |
| C8 | C1 | C2 | C3 | 62.9° | 87.7° |
| C8 | C1 | C2 | O2 | 173.2° | 151.6° |
| C8 | C1 | C2 | H21 | 56.5° | 33.0° |
| O6 | C6 | C5 | H5 | 119.9° | 120.0° |
| O6 | C6 | C5 | H6 | 119.9° | 120.0° |
| O6 | C6 | C5 | C7 | 130.6° | 171.9° |
| O6 | C6 | C5 | C4 | 108.3° | 65.0° |
| O6 | C6 | C5 | H3 | 12.0° | 53.5° |
| O6 | C6 | H5 | H6 | 120.3° | 120.0° |
| C6 | C5 | C7 | C1 | 138.7° | 139.9° |
| C6 | C5 | C7 | C4 | 118.9° | 120.7° |
| C6 | C5 | C7 | H3 | 118.6° | 118.4° |
| C6 | C5 | C4 | H3 | 120.3° | 118.5° |
| C6 | C5 | C4 | O4 | 64.5° | 71.6° |
| C6 | C5 | C4 | C3 | 170.4° | 167.6° |
| C6 | C5 | C4 | H2 | 53.8° | 46.8° |
| C5 | C6 | H5 | H6 | 120.3° | 119.9° |
| C6 | C5 | C7 | H8 | 65.9° | 75.5° |
| C5 | C6 | O6 | H10 | 180.0° | 180.0° |
| C1 | C7 | C5 | H8 | 155.5° | 144.6° |
| C7 | C1 | C2 | H20 | 142.9° | 149.3° |
| C1 | C7 | C5 | C4 | 19.7° | 19.2° |
| C7 | C1 | C2 | C3 | 7.0° | 18.9° |
| C7 | C1 | C2 | O2 | 116.9° | 139.6° |
| C1 | C7 | C5 | H3 | 102.7° | 101.7° |
| C7 | C1 | C2 | H21 | 126.5° | 101.8° |
| C5 | C7 | C1 | C2 | 11.7° | 5.7° |
| C7 | C5 | C4 | H3 | 122.4° | 120.9° |
| C7 | C5 | C4 | O4 | 178.3° | 167.8° |
| C7 | C5 | C4 | C3 | 53.1° | 46.9° |
| C7 | C5 | C4 | H2 | 63.4° | 73.9° |
| C7 | C5 | C6 | H5 | 10.7° | 68.0° |
| C7 | C5 | C6 | H6 | 109.5° | 51.9° |
| C5 | C7 | C8 | H9 | 11.5° | 2.4° |
| C5 | C7 | C1 | H20 | 154.5° | 142.9° |
| C1 | C2 | C3 | C4 | 28.1° | 46.5° |
| C1 | C2 | C3 | O2 | 122.3° | 120.7° |
| C1 | C2 | C3 | H21 | 119.5° | 120.7° |
| C1 | C2 | O2 | H21 | 115.8° | 118.6° |
| C1 | C2 | C3 | O3 | 148.5° | 167.4° |
| C2 | C1 | C7 | H8 | 143.7° | 149.9° |
| C2 | C1 | C8 | H9 | 0.3° | 4.3° |
| C1 | C2 | O2 | H22 | 180.0° | 180.0° |
| C1 | C2 | C3 | H23 | 92.5° | 74.4° |
| C5 | C4 | O4 | C3 | 122.3° | 123.3° |
| C5 | C4 | O4 | H2 | 117.8° | 118.3° |
| C5 | C4 | C3 | H2 | 116.8° | 120.8° |
| C5 | C4 | C3 | C2 | 59.4° | 63.1° |
| C5 | C4 | C3 | O3 | 178.2° | 176.1° |
| C5 | C4 | O4 | H4 | 180.0° | 176.7° |
| C4 | C5 | C6 | H5 | 131.8° | 55.0° |
| C4 | C5 | C6 | H6 | 11.6° | 175.0° |
| C4 | C5 | C7 | H8 | 175.2° | 163.8° |
| C5 | C4 | C3 | H23 | 61.1° | 57.8° |
| O4 | C4 | C3 | H2 | 120.5° | 118.3° |
| O4 | C4 | C3 | C2 | 177.9° | 176.1° |
| O4 | C4 | C3 | O3 | 55.6° | 55.3° |
| O4 | C4 | C5 | H3 | 55.9° | 46.9° |
| O4 | C4 | C3 | H23 | 61.5° | 63.1° |
| C4 | C3 | C2 | O3 | 120.4° | 120.9° |
| C4 | C3 | C2 | H23 | 120.6° | 120.9° |
| C4 | C3 | C2 | O2 | 150.3° | 167.2° |
| C4 | C3 | O3 | H23 | 116.1° | 118.4° |
| C4 | C3 | O3 | H1 | 180.0° | 60.0° |
| C3 | C4 | C5 | H3 | 69.3° | 73.9° |
| C3 | C4 | O4 | H4 | 57.7° | 60.0° |
| C4 | C3 | C2 | H21 | 91.5° | 74.2° |
| C3 | C2 | O2 | H21 | 117.3° | 118.6° |
| C2 | C3 | O3 | H23 | 118.1° | 118.3° |
| C2 | C3 | O3 | H1 | 54.2° | 176.7° |
| C2 | C3 | C4 | H2 | 57.4° | 57.8° |
| C3 | C2 | C1 | H20 | 149.9° | 130.4° |
| C3 | C2 | O2 | H22 | 53.1° | 57.2° |
| O2 | C2 | C3 | O3 | 89.3° | 72.0° |
| O2 | C2 | C1 | H20 | 26.0° | 9.7° |
| O2 | C2 | C3 | H23 | 29.7° | 46.3° |
| O3 | C3 | C4 | H2 | 65.0° | 63.1° |
| O3 | C3 | C2 | H21 | 28.9° | 46.6° |
| H1 | O3 | C3 | H23 | 63.9° | 58.4° |
| H2 | C4 | C5 | H3 | 174.2° | 165.2° |
| H2 | C4 | O4 | H4 | 62.2° | 58.4° |
| H2 | C4 | C3 | H23 | 177.9° | 178.6° |
| H3 | C5 | C6 | H5 | 107.9° | 173.5° |
| H3 | C5 | C6 | H6 | 131.9° | 66.6° |
| H3 | C5 | C7 | H8 | 52.8° | 42.9° |
| H5 | C6 | O6 | H10 | 60.1° | 60.0° |
| H6 | C6 | O6 | H10 | 60.1° | 60.0° |
| H8 | C7 | C8 | H9 | 147.8° | 146.0° |
| H8 | C7 | C1 | H20 | 1.0° | 1.3° |
| H9 | C8 | C1 | H20 | 147.5° | 145.5° |
| H11 | C12 | C13 | H13 | 115.3° | 60.0° |
| H11 | C12 | C13 | H14 | 125.2° | 180.0° |
| H11 | C12 | N11 | H19 | 161.3° | 120.0° |
| H12 | C12 | C13 | H13 | 5.1° | 180.0° |
| H12 | C12 | C13 | H14 | 114.4° | 60.0° |
| H12 | C12 | N11 | H19 | 40.9° | 119.9° |
| H13 | C13 | C14 | H15 | 170.6° | 180.0° |
| H13 | C13 | C14 | H16 | 49.9° | 60.1° |
| H14 | C13 | C14 | H15 | 69.9° | 60.0° |
| H14 | C13 | C14 | H16 | 169.4° | 180.0° |
| H15 | C14 | C15 | H17 | 67.3° | 179.9° |
| H15 | C14 | C15 | H18 | 52.1° | 60.1° |
| H16 | C14 | C15 | H17 | 171.9° | 60.0° |
| H16 | C14 | C15 | H18 | 68.6° | 180.0° |
| H20 | C1 | C2 | H21 | 90.7° | 108.9° |
| H21 | C2 | O2 | H22 | 64.2° | 61.4° |
| H21 | C2 | C3 | H23 | 147.9° | 164.9° |
