5WI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C11 | sing | 1.53Å | 1.52Å | |
| O7 | C5 | doub | 1.22Å | 1.18Å | |
| C9 | C11 | sing | 1.51Å | 1.53Å | |
| C9 | C4 | doub | 1.34Å | 1.35Å | |
| O13 | C12 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | O15 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.48Å | 1.46Å | |
| C5 | N6 | sing | 1.34Å | 1.48Å | |
| C4 | N3 | sing | 1.40Å | 1.39Å | |
| N6 | C1 | sing | 1.46Å | 1.48Å | |
| C10 | C16 | sing | 1.53Å | 1.54Å | |
| C10 | C1 | sing | 1.53Å | 1.52Å | |
| C10 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N3 | C2 | sing | 1.34Å | 1.45Å | |
| C1 | C2 | sing | 1.50Å | 1.54Å | |
| C2 | O8 | doub | 1.21Å | 1.18Å | |
| 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 | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| O13 | H21 | sing | 0.97Å | 0.95Å | |
| O15 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C11 | C9 | 109.1° | 109.4° |
| C14 | C11 | C12 | 110.2° | 109.5° |
| C14 | C11 | O15 | 110.2° | 109.5° |
| C11 | C14 | H8 | 109.5° | 109.5° |
| C11 | C14 | H9 | 109.4° | 109.4° |
| C11 | C14 | H10 | 109.4° | 109.5° |
| O7 | C5 | C4 | 120.2° | 120.2° |
| O7 | C5 | N6 | 120.6° | 120.3° |
| C11 | C9 | C4 | 120.3° | 120.0° |
| C9 | C11 | C12 | 108.2° | 109.5° |
| C9 | C11 | O15 | 109.2° | 109.5° |
| C11 | C9 | H3 | 119.9° | 120.0° |
| C9 | C4 | C5 | 116.6° | 120.9° |
| C9 | C4 | N3 | 120.5° | 120.9° |
| C4 | C9 | H3 | 119.8° | 120.0° |
| O13 | C12 | C11 | 110.2° | 109.5° |
| O13 | C12 | H6 | 109.3° | 109.5° |
| O13 | C12 | H7 | 109.3° | 109.5° |
| C12 | O13 | H21 | 109.5° | 114.0° |
| C12 | C11 | O15 | 110.0° | 109.5° |
| C11 | C12 | H6 | 109.3° | 109.4° |
| C11 | C12 | H7 | 109.3° | 109.5° |
| C11 | O15 | H22 | 109.5° | 114.0° |
| C4 | C5 | N6 | 119.1° | 119.5° |
| C5 | C4 | N3 | 117.3° | 118.2° |
| C5 | N6 | C1 | 119.0° | 122.5° |
| C5 | N6 | H20 | 120.5° | 118.8° |
| C4 | N3 | C2 | 119.2° | 119.8° |
| C4 | N3 | H19 | 120.4° | 120.1° |
| N6 | C1 | C10 | 101.4° | 108.8° |
| N6 | C1 | C2 | 110.9° | 112.6° |
| N6 | C1 | H1 | 110.8° | 108.8° |
| C1 | N6 | H20 | 120.5° | 118.7° |
| C16 | C10 | C1 | 115.0° | 109.5° |
| C16 | C10 | C17 | 109.5° | 109.5° |
| C16 | C10 | H5 | 107.5° | 109.5° |
| C10 | C16 | H11 | 109.5° | 109.5° |
| C10 | C16 | H12 | 109.5° | 109.4° |
| C10 | C16 | H13 | 109.5° | 109.5° |
| C1 | C10 | C17 | 109.3° | 109.5° |
| C10 | C1 | C2 | 113.4° | 108.9° |
| C10 | C1 | H1 | 110.2° | 108.9° |
| C1 | C10 | H5 | 107.8° | 109.5° |
| C10 | C17 | C18 | 108.9° | 109.5° |
| C17 | C10 | H5 | 107.5° | 109.4° |
| C10 | C17 | H14 | 109.6° | 109.5° |
| C10 | C17 | H15 | 109.6° | 109.5° |
| C18 | C17 | H14 | 109.6° | 109.4° |
| C18 | C17 | H15 | 109.6° | 109.4° |
| C17 | C18 | H16 | 109.5° | 109.5° |
| C17 | C18 | H17 | 109.5° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| N3 | C2 | C1 | 120.2° | 122.9° |
| N3 | C2 | O8 | 120.0° | 118.6° |
| C2 | N3 | H19 | 120.4° | 120.1° |
| C1 | C2 | O8 | 119.8° | 118.6° |
| C2 | C1 | H1 | 109.9° | 108.8° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H10 | 109.4° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.4° | 109.5° |
| H11 | C16 | H13 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H18 | 109.4° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C11 | C9 | C12 | 119.8° | 120.0° |
| C14 | C11 | C9 | O15 | 120.4° | 120.0° |
| C14 | C11 | C9 | C4 | 164.9° | 102.8° |
| C14 | C11 | C12 | O13 | 25.9° | 60.1° |
| C14 | C11 | C12 | O15 | 121.7° | 120.0° |
| C14 | C11 | C9 | H3 | 15.1° | 77.2° |
| C14 | C11 | C12 | H6 | 94.2° | 180.0° |
| C14 | C11 | C12 | H7 | 146.0° | 60.0° |
| C11 | C14 | H8 | H9 | 120.0° | 120.0° |
| C11 | C14 | H8 | H10 | 120.0° | 120.0° |
| C11 | C14 | H9 | H10 | 120.0° | 120.0° |
| C14 | C11 | O15 | H22 | 180.0° | 174.0° |
| O7 | C5 | C4 | C9 | 4.4° | 15.5° |
| O7 | C5 | C4 | N6 | 178.1° | 179.9° |
| O7 | C5 | C4 | N3 | 149.4° | 164.4° |
| O7 | C5 | N6 | C1 | 178.6° | 177.8° |
| O7 | C5 | N6 | H20 | 1.4° | 2.2° |
| C11 | C9 | C4 | H3 | 180.0° | 179.9° |
| C9 | C11 | C12 | O13 | 145.0° | 180.0° |
| C9 | C11 | C12 | O15 | 119.2° | 120.0° |
| C11 | C9 | C4 | C5 | 168.7° | 172.9° |
| C11 | C9 | C4 | N3 | 15.8° | 7.2° |
| C9 | C11 | C12 | H6 | 24.9° | 60.0° |
| C9 | C11 | C12 | H7 | 94.8° | 59.9° |
| C9 | C11 | C14 | H8 | 180.0° | 60.0° |
| C9 | C11 | C14 | H9 | 60.0° | 180.0° |
| C9 | C11 | C14 | H10 | 60.0° | 60.0° |
| C9 | C11 | O15 | H22 | 60.3° | 66.0° |
| C4 | C9 | C11 | C12 | 75.2° | 137.2° |
| C4 | C9 | C11 | O15 | 44.5° | 17.1° |
| C9 | C4 | C5 | N3 | 153.8° | 179.9° |
| C9 | C4 | C5 | N6 | 177.4° | 164.4° |
| C9 | C4 | N3 | C2 | 177.7° | 164.7° |
| C9 | C4 | N3 | H19 | 2.2° | 15.2° |
| O13 | C12 | C11 | H6 | 120.1° | 120.0° |
| O13 | C12 | C11 | H7 | 120.1° | 120.1° |
| O13 | C12 | C11 | O15 | 95.8° | 60.0° |
| O13 | C12 | H6 | H7 | 119.6° | 120.1° |
| C12 | C11 | C9 | H3 | 104.7° | 42.8° |
| C11 | C12 | H6 | H7 | 119.7° | 120.0° |
| C12 | C11 | C14 | H8 | 61.4° | 180.0° |
| C12 | C11 | C14 | H9 | 58.6° | 60.0° |
| C12 | C11 | C14 | H10 | 178.6° | 59.9° |
| C11 | C12 | O13 | H21 | 180.0° | 179.9° |
| C12 | C11 | O15 | H22 | 58.3° | 54.0° |
| O15 | C11 | C9 | H3 | 135.5° | 162.8° |
| O15 | C11 | C12 | H6 | 144.1° | 60.0° |
| O15 | C11 | C12 | H7 | 24.3° | 179.9° |
| O15 | C11 | C14 | H8 | 60.2° | 59.9° |
| O15 | C11 | C14 | H9 | 179.8° | 60.0° |
| O15 | C11 | C14 | H10 | 59.8° | 180.0° |
| C4 | C5 | N6 | C1 | 3.3° | 2.1° |
| C5 | C4 | N3 | C2 | 29.5° | 15.3° |
| C5 | C4 | C9 | H3 | 11.4° | 7.1° |
| C5 | C4 | N3 | H19 | 150.5° | 164.7° |
| C4 | C5 | N6 | H20 | 176.7° | 177.8° |
| N6 | C5 | C4 | N3 | 28.8° | 15.6° |
| C5 | N6 | C1 | H20 | 180.0° | 179.9° |
| C5 | N6 | C1 | C10 | 90.5° | 102.7° |
| C5 | N6 | C1 | C2 | 30.3° | 18.1° |
| C5 | N6 | C1 | H1 | 152.6° | 138.8° |
| C4 | N3 | C2 | H19 | 180.0° | 180.0° |
| C4 | N3 | C2 | C1 | 0.5° | 2.2° |
| C4 | N3 | C2 | O8 | 179.5° | 177.9° |
| N3 | C4 | C9 | H3 | 164.3° | 172.9° |
| N6 | C1 | C10 | C16 | 127.3° | 176.9° |
| N6 | C1 | C10 | C2 | 119.0° | 123.0° |
| N6 | C1 | C10 | H1 | 117.4° | 118.4° |
| N6 | C1 | C10 | C17 | 109.1° | 57.0° |
| N6 | C1 | C2 | N3 | 30.0° | 18.5° |
| N6 | C1 | C2 | H1 | 122.8° | 120.7° |
| N6 | C1 | C2 | O8 | 150.0° | 161.5° |
| N6 | C1 | C10 | H5 | 7.5° | 63.0° |
| C16 | C10 | C1 | C17 | 123.6° | 120.0° |
| C16 | C10 | C1 | H5 | 119.8° | 120.1° |
| C16 | C10 | C17 | H5 | 116.5° | 120.0° |
| C16 | C10 | C17 | C18 | 169.3° | 65.0° |
| C16 | C10 | C1 | C2 | 8.4° | 60.0° |
| C16 | C10 | C1 | H1 | 115.3° | 58.5° |
| C10 | C16 | H11 | H12 | 120.0° | 119.9° |
| C10 | C16 | H11 | H13 | 120.0° | 120.0° |
| C10 | C16 | H12 | H13 | 120.0° | 120.0° |
| C16 | C10 | C17 | H14 | 49.4° | 54.9° |
| C16 | C10 | C17 | H15 | 70.7° | 175.0° |
| C1 | C10 | C17 | H5 | 116.7° | 120.0° |
| C1 | C10 | C17 | C18 | 63.8° | 175.0° |
| C10 | C1 | C2 | N3 | 83.3° | 102.2° |
| C10 | C1 | C2 | H1 | 123.8° | 118.5° |
| C10 | C1 | C2 | O8 | 96.7° | 77.8° |
| C1 | C10 | C16 | H11 | 180.0° | 180.0° |
| C1 | C10 | C16 | H12 | 60.0° | 60.0° |
| C1 | C10 | C16 | H13 | 60.0° | 60.0° |
| C1 | C10 | C17 | H14 | 176.3° | 65.0° |
| C1 | C10 | C17 | H15 | 56.1° | 55.0° |
| C10 | C1 | N6 | H20 | 89.6° | 77.3° |
| C10 | C17 | C18 | H14 | 119.9° | 120.0° |
| C10 | C17 | C18 | H15 | 119.9° | 120.0° |
| C17 | C10 | C1 | C2 | 132.0° | 180.0° |
| C17 | C10 | C1 | H1 | 8.3° | 61.5° |
| C17 | C10 | C16 | H11 | 56.5° | 60.0° |
| C17 | C10 | C16 | H12 | 176.5° | 180.0° |
| C17 | C10 | C16 | H13 | 63.5° | 60.0° |
| C10 | C17 | H14 | H15 | 120.2° | 120.1° |
| C10 | C17 | C18 | H16 | 180.0° | 60.0° |
| C10 | C17 | C18 | H17 | 60.0° | 60.0° |
| C10 | C17 | C18 | H18 | 60.0° | 180.0° |
| C18 | C17 | C10 | H5 | 52.9° | 55.0° |
| C18 | C17 | H14 | H15 | 120.3° | 119.9° |
| C17 | C18 | H16 | H17 | 120.0° | 120.0° |
| C17 | C18 | H16 | H18 | 120.0° | 120.0° |
| C17 | C18 | H17 | H18 | 120.0° | 120.0° |
| N3 | C2 | C1 | O8 | 180.0° | 180.0° |
| N3 | C2 | C1 | H1 | 152.8° | 139.2° |
| C2 | C1 | C10 | H5 | 111.5° | 60.0° |
| C1 | C2 | N3 | H19 | 179.5° | 177.8° |
| C2 | C1 | N6 | H20 | 149.7° | 161.9° |
| O8 | C2 | C1 | H1 | 27.1° | 40.8° |
| O8 | C2 | N3 | H19 | 0.5° | 2.2° |
| H1 | C1 | C10 | H5 | 124.9° | 178.6° |
| H1 | C1 | N6 | H20 | 27.4° | 41.1° |
| H5 | C10 | C16 | H11 | 60.0° | 60.0° |
| H5 | C10 | C16 | H12 | 60.0° | 60.0° |
| H5 | C10 | C16 | H13 | 180.0° | 180.0° |
| H5 | C10 | C17 | H14 | 67.0° | 175.0° |
| H5 | C10 | C17 | H15 | 172.8° | 65.0° |
| H6 | C12 | O13 | H21 | 59.8° | 60.0° |
| H7 | C12 | O13 | H21 | 59.9° | 60.0° |
| H8 | C14 | H9 | H10 | 120.0° | 120.1° |
| H11 | C16 | H12 | H13 | 120.0° | 120.1° |
| H14 | C17 | C18 | H16 | 60.1° | 180.0° |
| H14 | C17 | C18 | H17 | 179.9° | 60.0° |
| H14 | C17 | C18 | H18 | 59.9° | 60.0° |
| H15 | C17 | C18 | H16 | 60.1° | 60.0° |
| H15 | C17 | C18 | H17 | 59.9° | 179.9° |
| H15 | C17 | C18 | H18 | 179.9° | 60.0° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
