5P0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C11 | sing | 1.53Å | 1.55Å | |
| O7 | C5 | doub | 1.22Å | 1.21Å | |
| C9 | C11 | sing | 1.51Å | 1.52Å | |
| C9 | C4 | doub | 1.34Å | 1.35Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C11 | O15 | sing | 1.43Å | 1.40Å | |
| C12 | O13 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | sing | 1.48Å | 1.49Å | |
| C5 | N6 | sing | 1.34Å | 1.37Å | |
| C4 | N3 | sing | 1.40Å | 1.42Å | |
| N6 | C1 | sing | 1.46Å | 1.47Å | |
| O19 | C18 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C10 | sing | 1.53Å | 1.55Å | |
| C16 | C10 | sing | 1.53Å | 1.51Å | |
| N3 | C2 | sing | 1.34Å | 1.38Å | |
| C1 | C10 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.50Å | 1.53Å | |
| C2 | O8 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| O13 | H20 | sing | 0.97Å | 0.95Å | |
| O15 | H21 | sing | 0.97Å | 0.95Å | |
| O19 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C11 | C9 | 107.8° | 109.5° |
| C14 | C11 | C12 | 109.3° | 109.4° |
| C14 | C11 | O15 | 114.1° | 109.4° |
| C11 | C14 | H8 | 109.5° | 109.5° |
| C11 | C14 | H9 | 109.5° | 109.5° |
| C11 | C14 | H10 | 109.4° | 109.5° |
| O7 | C5 | C4 | 122.1° | 120.3° |
| O7 | C5 | N6 | 118.0° | 120.2° |
| C11 | C9 | C4 | 122.9° | 120.0° |
| C9 | C11 | C12 | 111.6° | 109.5° |
| C9 | C11 | O15 | 105.4° | 109.5° |
| C11 | C9 | H3 | 118.5° | 120.0° |
| C9 | C4 | C5 | 120.2° | 120.9° |
| C9 | C4 | N3 | 124.3° | 120.9° |
| C4 | C9 | H3 | 118.5° | 120.0° |
| C12 | C11 | O15 | 108.6° | 109.5° |
| C11 | C12 | O13 | 106.2° | 109.5° |
| C11 | C12 | H6 | 110.3° | 109.4° |
| C11 | C12 | H7 | 110.3° | 109.5° |
| C11 | O15 | H21 | 109.5° | 114.0° |
| O13 | C12 | H6 | 110.3° | 109.4° |
| O13 | C12 | H7 | 110.3° | 109.5° |
| C12 | O13 | H20 | 109.5° | 114.1° |
| C4 | C5 | N6 | 119.8° | 119.5° |
| C5 | C4 | N3 | 114.3° | 118.2° |
| C5 | N6 | C1 | 126.0° | 122.5° |
| C5 | N6 | H19 | 117.0° | 118.7° |
| C4 | N3 | C2 | 124.4° | 119.8° |
| C4 | N3 | H18 | 117.8° | 120.1° |
| N6 | C1 | C10 | 110.7° | 108.9° |
| N6 | C1 | C2 | 109.9° | 112.6° |
| N6 | C1 | H1 | 109.8° | 108.8° |
| C1 | N6 | H19 | 117.0° | 118.8° |
| O19 | C18 | C17 | 107.1° | 109.5° |
| O19 | C18 | H16 | 110.1° | 109.5° |
| O19 | C18 | H17 | 110.1° | 109.5° |
| C18 | O19 | H22 | 109.5° | 114.0° |
| C18 | C17 | C10 | 109.6° | 109.5° |
| C18 | C17 | H14 | 109.5° | 109.5° |
| C18 | C17 | H15 | 109.5° | 109.5° |
| C17 | C18 | H16 | 110.1° | 109.5° |
| C17 | C18 | H17 | 110.1° | 109.5° |
| C17 | C10 | C16 | 109.0° | 109.4° |
| C17 | C10 | C1 | 110.5° | 109.5° |
| C17 | C10 | H5 | 108.8° | 109.5° |
| C10 | C17 | H14 | 109.4° | 109.4° |
| C10 | C17 | H15 | 109.4° | 109.5° |
| C16 | C10 | C1 | 110.2° | 109.5° |
| C16 | C10 | H5 | 109.3° | 109.4° |
| C10 | C16 | H11 | 109.5° | 109.5° |
| C10 | C16 | H12 | 109.5° | 109.5° |
| C10 | C16 | H13 | 109.5° | 109.4° |
| N3 | C2 | C1 | 121.1° | 122.9° |
| N3 | C2 | O8 | 117.2° | 118.6° |
| C2 | N3 | H18 | 117.8° | 120.1° |
| C10 | C1 | C2 | 108.6° | 108.9° |
| C10 | C1 | H1 | 108.9° | 108.8° |
| C1 | C10 | H5 | 108.9° | 109.5° |
| C1 | C2 | O8 | 121.7° | 118.6° |
| C2 | C1 | H1 | 108.9° | 108.8° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H10 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H13 | 109.5° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C11 | C9 | C12 | 120.0° | 119.9° |
| C14 | C11 | C9 | O15 | 122.2° | 120.0° |
| C14 | C11 | C9 | C4 | 175.6° | 102.9° |
| C14 | C11 | C12 | O15 | 125.0° | 119.9° |
| C14 | C11 | C12 | O13 | 54.7° | 60.0° |
| C14 | C11 | C9 | H3 | 4.5° | 77.2° |
| C14 | C11 | C12 | H6 | 174.2° | 180.0° |
| C14 | C11 | C12 | H7 | 64.8° | 60.0° |
| C11 | C14 | H8 | H9 | 120.0° | 120.1° |
| C11 | C14 | H8 | H10 | 120.0° | 120.0° |
| C11 | C14 | H9 | H10 | 120.0° | 120.0° |
| C14 | C11 | O15 | H21 | 180.0° | 174.0° |
| O7 | C5 | C4 | C9 | 4.1° | 15.5° |
| O7 | C5 | C4 | N6 | 178.8° | 180.0° |
| O7 | C5 | C4 | N3 | 164.0° | 164.4° |
| O7 | C5 | N6 | C1 | 179.6° | 177.8° |
| O7 | C5 | N6 | H19 | 0.4° | 2.2° |
| C11 | C9 | C4 | H3 | 180.0° | 179.9° |
| C9 | C11 | C12 | O15 | 115.8° | 120.1° |
| C9 | C11 | C12 | O13 | 173.8° | 180.0° |
| C11 | C9 | C4 | C5 | 162.9° | 172.9° |
| C11 | C9 | C4 | N3 | 30.2° | 7.2° |
| C9 | C11 | C12 | H6 | 66.7° | 60.0° |
| C9 | C11 | C12 | H7 | 54.3° | 59.9° |
| C9 | C11 | C14 | H8 | 180.0° | 60.0° |
| C9 | C11 | C14 | H9 | 60.0° | 179.9° |
| C9 | C11 | C14 | H10 | 60.0° | 59.9° |
| C9 | C11 | O15 | H21 | 61.9° | 66.0° |
| C4 | C9 | C11 | C12 | 64.4° | 137.2° |
| C4 | C9 | C11 | O15 | 53.3° | 17.1° |
| C9 | C4 | C5 | N3 | 168.1° | 180.0° |
| C9 | C4 | C5 | N6 | 174.7° | 164.4° |
| C9 | C4 | N3 | C2 | 176.7° | 164.7° |
| C9 | C4 | N3 | H18 | 3.3° | 15.3° |
| C11 | C12 | O13 | H6 | 119.5° | 120.0° |
| C11 | C12 | O13 | H7 | 119.5° | 120.1° |
| C12 | C11 | C9 | H3 | 115.6° | 42.8° |
| C11 | C12 | H6 | H7 | 121.5° | 120.0° |
| C12 | C11 | C14 | H8 | 58.5° | 180.0° |
| C12 | C11 | C14 | H9 | 61.5° | 60.0° |
| C12 | C11 | C14 | H10 | 178.5° | 60.0° |
| C11 | C12 | O13 | H20 | 180.0° | 180.0° |
| C12 | C11 | O15 | H21 | 57.9° | 54.1° |
| O15 | C11 | C12 | O13 | 70.3° | 59.9° |
| O15 | C11 | C9 | H3 | 126.7° | 162.8° |
| O15 | C11 | C12 | H6 | 49.2° | 60.1° |
| O15 | C11 | C12 | H7 | 170.2° | 180.0° |
| O15 | C11 | C14 | H8 | 63.3° | 60.1° |
| O15 | C11 | C14 | H9 | 176.7° | 60.0° |
| O15 | C11 | C14 | H10 | 56.7° | 180.0° |
| O13 | C12 | H6 | H7 | 121.5° | 120.0° |
| C4 | C5 | N6 | C1 | 0.8° | 2.1° |
| C5 | C4 | N3 | C2 | 15.8° | 15.3° |
| C5 | C4 | C9 | H3 | 17.1° | 7.1° |
| C5 | C4 | N3 | H18 | 164.3° | 164.7° |
| C4 | C5 | N6 | H19 | 179.2° | 177.8° |
| N6 | C5 | C4 | N3 | 17.2° | 15.6° |
| C5 | N6 | C1 | H19 | 180.0° | 179.9° |
| C5 | N6 | C1 | C10 | 104.0° | 102.8° |
| C5 | N6 | C1 | C2 | 16.0° | 18.0° |
| C5 | N6 | C1 | H1 | 135.7° | 138.8° |
| C4 | N3 | C2 | H18 | 180.0° | 180.0° |
| C4 | N3 | C2 | C1 | 2.0° | 2.2° |
| C4 | N3 | C2 | O8 | 179.9° | 177.8° |
| N3 | C4 | C9 | H3 | 149.8° | 172.9° |
| N6 | C1 | C10 | C17 | 63.2° | 56.9° |
| N6 | C1 | C10 | C16 | 57.4° | 176.9° |
| N6 | C1 | C2 | N3 | 17.3° | 18.5° |
| N6 | C1 | C10 | C2 | 120.7° | 123.1° |
| N6 | C1 | C10 | H1 | 120.8° | 118.4° |
| N6 | C1 | C2 | H1 | 120.3° | 120.7° |
| N6 | C1 | C2 | O8 | 164.7° | 161.5° |
| N6 | C1 | C10 | H5 | 177.3° | 63.1° |
| O19 | C18 | C17 | H16 | 119.6° | 120.0° |
| O19 | C18 | C17 | H17 | 119.6° | 120.0° |
| O19 | C18 | C17 | C10 | 170.8° | 180.0° |
| O19 | C18 | C17 | H14 | 50.8° | 60.1° |
| O19 | C18 | C17 | H15 | 69.2° | 60.0° |
| O19 | C18 | H16 | H17 | 121.1° | 119.9° |
| C18 | C17 | C10 | H14 | 120.0° | 120.0° |
| C18 | C17 | C10 | H15 | 120.0° | 120.0° |
| C18 | C17 | C10 | C16 | 71.3° | 64.9° |
| C18 | C17 | C10 | C1 | 167.4° | 175.0° |
| C18 | C17 | C10 | H5 | 47.9° | 55.0° |
| C18 | C17 | H14 | H15 | 120.0° | 120.1° |
| C17 | C18 | H16 | H17 | 121.1° | 120.0° |
| C17 | C18 | O19 | H22 | 180.0° | 180.0° |
| C17 | C10 | C16 | C1 | 121.5° | 120.0° |
| C17 | C10 | C16 | H5 | 118.8° | 119.9° |
| C17 | C10 | C1 | H5 | 119.5° | 120.0° |
| C17 | C10 | C1 | C2 | 57.5° | 180.0° |
| C17 | C10 | C1 | H1 | 176.1° | 61.5° |
| C17 | C10 | C16 | H11 | 180.0° | 60.1° |
| C17 | C10 | C16 | H12 | 60.0° | 60.0° |
| C17 | C10 | C16 | H13 | 60.0° | 180.0° |
| C10 | C17 | H14 | H15 | 119.9° | 120.0° |
| C10 | C17 | C18 | H16 | 69.5° | 60.0° |
| C10 | C17 | C18 | H17 | 51.2° | 60.0° |
| C16 | C10 | C1 | H5 | 120.0° | 120.0° |
| C16 | C10 | C1 | C2 | 178.1° | 60.0° |
| C16 | C10 | C1 | H1 | 63.4° | 58.5° |
| C10 | C16 | H11 | H12 | 120.0° | 120.1° |
| C10 | C16 | H11 | H13 | 120.0° | 119.9° |
| C10 | C16 | H12 | H13 | 120.0° | 120.0° |
| C16 | C10 | C17 | H14 | 168.7° | 55.0° |
| C16 | C10 | C17 | H15 | 48.7° | 175.0° |
| N3 | C2 | C1 | C10 | 103.9° | 102.3° |
| N3 | C2 | C1 | O8 | 178.0° | 180.0° |
| N3 | C2 | C1 | H1 | 137.6° | 139.2° |
| C10 | C1 | C2 | H1 | 118.5° | 118.5° |
| C10 | C1 | C2 | O8 | 74.1° | 77.7° |
| C1 | C10 | C16 | H11 | 58.5° | 59.9° |
| C1 | C10 | C16 | H12 | 61.5° | 180.0° |
| C1 | C10 | C16 | H13 | 178.6° | 60.0° |
| C1 | C10 | C17 | H14 | 47.4° | 65.0° |
| C1 | C10 | C17 | H15 | 72.6° | 55.0° |
| C10 | C1 | N6 | H19 | 76.0° | 77.3° |
| C2 | C1 | C10 | H5 | 61.9° | 60.0° |
| C1 | C2 | N3 | H18 | 178.0° | 177.9° |
| C2 | C1 | N6 | H19 | 164.0° | 161.9° |
| O8 | C2 | C1 | H1 | 44.4° | 40.8° |
| O8 | C2 | N3 | H18 | 0.2° | 2.1° |
| H1 | C1 | C10 | H5 | 56.6° | 178.5° |
| H1 | C1 | N6 | H19 | 44.3° | 41.1° |
| H5 | C10 | C16 | H11 | 61.2° | 180.0° |
| H5 | C10 | C16 | H12 | 178.8° | 60.0° |
| H5 | C10 | C16 | H13 | 58.8° | 60.0° |
| H5 | C10 | C17 | H14 | 72.1° | 175.0° |
| H5 | C10 | C17 | H15 | 167.9° | 65.1° |
| H6 | C12 | O13 | H20 | 60.5° | 60.0° |
| H7 | C12 | O13 | H20 | 60.5° | 60.0° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H11 | C16 | H12 | H13 | 120.0° | 119.9° |
| H14 | C17 | C18 | H16 | 170.5° | 179.9° |
| H14 | C17 | C18 | H17 | 68.8° | 59.9° |
| H15 | C17 | C18 | H16 | 50.5° | 60.0° |
| H15 | C17 | C18 | H17 | 171.2° | NaN° |
| H16 | C18 | O19 | H22 | 60.4° | 60.0° |
| H17 | C18 | O19 | H22 | 60.4° | 60.0° |
