5W5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C25 | sing | 1.55Å | 1.54Å | |
| C22 | N1 | sing | 1.47Å | 1.46Å | |
| C25 | C24 | sing | 1.55Å | 1.55Å | |
| N8 | C16 | sing | 1.46Å | 1.45Å | |
| N8 | C2 | sing | 1.35Å | 1.36Å | |
| C16 | C14 | sing | 1.51Å | 1.53Å | |
| O17 | C7 | doub | 1.22Å | 1.22Å | |
| C14 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.36Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| O23 | C7 | sing | 1.35Å | 1.36Å | |
| O23 | C31 | sing | 1.45Å | 1.45Å | |
| C7 | C9 | sing | 1.48Å | 1.54Å | |
| C30 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C4 | sing | 1.54Å | 1.55Å | |
| C9 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | O12 | doub | 1.22Å | 1.24Å | |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| O11 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | N6 | sing | 1.35Å | 1.34Å | |
| N6 | C13 | sing | 1.40Å | 1.41Å | |
| C28 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | O10 | sing | 1.36Å | 1.39Å | |
| F20 | C5 | sing | 1.40Å | 1.35Å | |
| O10 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | F19 | sing | 1.40Å | 1.37Å | |
| C5 | F21 | sing | 1.40Å | 1.37Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N8 | H17 | sing | 0.97Å | 1.00Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C22 | N1 | 97.3° | 104.8° |
| C22 | C25 | C24 | 102.0° | 101.6° |
| C25 | C22 | H4 | 112.4° | 110.3° |
| C25 | C22 | H5 | 112.4° | 110.4° |
| C22 | C25 | H8 | 111.3° | 111.0° |
| C22 | C25 | H9 | 111.3° | 111.0° |
| C22 | N1 | C2 | 123.0° | 125.6° |
| C22 | N1 | C4 | 115.8° | 108.7° |
| N1 | C22 | H4 | 112.4° | 110.4° |
| N1 | C22 | H5 | 112.4° | 110.4° |
| C25 | C24 | C4 | 103.1° | 103.0° |
| C25 | C24 | H6 | 111.1° | 110.7° |
| C25 | C24 | H7 | 111.0° | 110.9° |
| C24 | C25 | H8 | 111.3° | 111.0° |
| C24 | C25 | H9 | 111.3° | 111.0° |
| C16 | N8 | C2 | 121.4° | 120.0° |
| N8 | C16 | C14 | 116.5° | 109.5° |
| N8 | C16 | H2 | 107.7° | 109.5° |
| N8 | C16 | H3 | 107.7° | 109.5° |
| C16 | N8 | H17 | 119.3° | 120.0° |
| N8 | C2 | N1 | 119.3° | 120.0° |
| N8 | C2 | O12 | 121.0° | 120.0° |
| C2 | N8 | H17 | 119.3° | 120.0° |
| C16 | C14 | C30 | 118.6° | 120.1° |
| C16 | C14 | C9 | 120.4° | 120.1° |
| C14 | C16 | H2 | 107.7° | 109.5° |
| C14 | C16 | H3 | 107.7° | 109.4° |
| O17 | C7 | O23 | 119.4° | 120.0° |
| O17 | C7 | C9 | 119.6° | 120.0° |
| C30 | C14 | C9 | 120.9° | 119.8° |
| C14 | C30 | C33 | 120.9° | 120.2° |
| C14 | C30 | H14 | 119.6° | 120.0° |
| C14 | C9 | C7 | 126.0° | 120.1° |
| C14 | C9 | C27 | 116.8° | 119.7° |
| C2 | N1 | C4 | 121.1° | 125.7° |
| N1 | C2 | O12 | 119.8° | 120.0° |
| N1 | C4 | C24 | 100.9° | 107.3° |
| N1 | C4 | C3 | 110.5° | 109.9° |
| N1 | C4 | H15 | 111.9° | 109.9° |
| C7 | O23 | C31 | 117.0° | 117.0° |
| O23 | C7 | C9 | 121.0° | 120.0° |
| O23 | C31 | H18 | 109.5° | 109.5° |
| O23 | C31 | H19 | 109.4° | 109.5° |
| O23 | C31 | H20 | 109.5° | 109.5° |
| C7 | C9 | C27 | 117.2° | 120.1° |
| C30 | C33 | C32 | 118.9° | 120.3° |
| C33 | C30 | H14 | 119.6° | 119.9° |
| C30 | C33 | H22 | 120.5° | 119.9° |
| C24 | C4 | C3 | 111.5° | 109.9° |
| C4 | C24 | H6 | 111.0° | 110.7° |
| C4 | C24 | H7 | 111.0° | 110.7° |
| C24 | C4 | H15 | 110.6° | 109.8° |
| C9 | C27 | C32 | 122.6° | 119.9° |
| C9 | C27 | H11 | 118.7° | 120.1° |
| C33 | C32 | C27 | 119.9° | 120.1° |
| C33 | C32 | H21 | 120.0° | 119.9° |
| C32 | C33 | H22 | 120.5° | 119.9° |
| C32 | C27 | H11 | 118.7° | 120.1° |
| C27 | C32 | H21 | 120.0° | 120.0° |
| C4 | C3 | O11 | 121.2° | 120.0° |
| C4 | C3 | N6 | 113.7° | 120.0° |
| C3 | C4 | H15 | 111.1° | 110.0° |
| O11 | C3 | N6 | 125.1° | 120.0° |
| C3 | N6 | C13 | 126.0° | 120.0° |
| C3 | N6 | H16 | 117.0° | 120.0° |
| N6 | C13 | C28 | 121.4° | 120.0° |
| N6 | C13 | C15 | 118.0° | 120.0° |
| C13 | N6 | H16 | 117.0° | 120.0° |
| C13 | C28 | C26 | 120.5° | 120.0° |
| C28 | C13 | C15 | 120.6° | 119.9° |
| C13 | C28 | H12 | 119.7° | 120.0° |
| C28 | C26 | C29 | 118.4° | 120.1° |
| C28 | C26 | H10 | 120.8° | 120.0° |
| C26 | C28 | H12 | 119.7° | 120.0° |
| C13 | C15 | C18 | 119.4° | 119.9° |
| C13 | C15 | H1 | 120.3° | 120.1° |
| C26 | C29 | C18 | 121.1° | 120.1° |
| C29 | C26 | H10 | 120.8° | 119.9° |
| C26 | C29 | H13 | 119.4° | 119.9° |
| C15 | C18 | C29 | 119.8° | 119.9° |
| C15 | C18 | O10 | 117.2° | 120.1° |
| C18 | C15 | H1 | 120.3° | 120.0° |
| C29 | C18 | O10 | 122.9° | 120.0° |
| C18 | C29 | H13 | 119.5° | 120.0° |
| C18 | O10 | C5 | 122.1° | 117.0° |
| F20 | C5 | O10 | 107.8° | 109.5° |
| F20 | C5 | F19 | 108.3° | 109.4° |
| F20 | C5 | F21 | 108.8° | 109.5° |
| O10 | C5 | F19 | 109.4° | 109.5° |
| O10 | C5 | F21 | 108.3° | 109.5° |
| F19 | C5 | F21 | 114.0° | 109.5° |
| H2 | C16 | H3 | 109.5° | 109.4° |
| H4 | C22 | H5 | 109.5° | 110.4° |
| H6 | C24 | H7 | 109.5° | 110.6° |
| H8 | C25 | H9 | 109.5° | 110.9° |
| H18 | C31 | H19 | 109.5° | 109.4° |
| H18 | C31 | H20 | 109.5° | 109.4° |
| H19 | C31 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C22 | N1 | H4 | 117.9° | 118.8° |
| C25 | C22 | N1 | H5 | 117.9° | 118.9° |
| C22 | C25 | C24 | H8 | 118.8° | 118.1° |
| C22 | C25 | C24 | H9 | 118.8° | 118.1° |
| C25 | C22 | N1 | C2 | 151.7° | 155.9° |
| C25 | C22 | N1 | C4 | 31.3° | 24.1° |
| C22 | C25 | C24 | C4 | 42.6° | 35.5° |
| C25 | C22 | H4 | H5 | 125.7° | 122.3° |
| C22 | C25 | C24 | H6 | 161.5° | 153.9° |
| C22 | C25 | C24 | H7 | 76.4° | 83.0° |
| C22 | C25 | H8 | H9 | 123.5° | 123.9° |
| N1 | C22 | C25 | C24 | 43.1° | 37.0° |
| C22 | N1 | C2 | N8 | 0.9° | 0.3° |
| C22 | N1 | C2 | C4 | 176.9° | 179.9° |
| C22 | N1 | C4 | C24 | 5.5° | 1.1° |
| C22 | N1 | C2 | O12 | 179.9° | 180.0° |
| C22 | N1 | C4 | C3 | 112.5° | 118.4° |
| N1 | C22 | H4 | H5 | 125.7° | 122.3° |
| N1 | C22 | C25 | H8 | 75.7° | 81.1° |
| N1 | C22 | C25 | H9 | 161.9° | 155.1° |
| C22 | N1 | C4 | H15 | 123.1° | 120.5° |
| C25 | C24 | C4 | N1 | 23.0° | 22.2° |
| C25 | C24 | C4 | H6 | 119.0° | 118.4° |
| C25 | C24 | C4 | H7 | 119.0° | 118.5° |
| C25 | C24 | C4 | C3 | 140.4° | 141.6° |
| C24 | C25 | C22 | H4 | 74.9° | 81.8° |
| C24 | C25 | C22 | H5 | 161.0° | 155.9° |
| C25 | C24 | H6 | H7 | 123.0° | 123.3° |
| C24 | C25 | H8 | H9 | 123.5° | 123.9° |
| C25 | C24 | C4 | H15 | 95.5° | 97.3° |
| C16 | N8 | C2 | H17 | 180.0° | 180.0° |
| N8 | C16 | C14 | H2 | 121.0° | 120.1° |
| N8 | C16 | C14 | H3 | 121.0° | 120.0° |
| N8 | C16 | C14 | C30 | 4.4° | 100.0° |
| N8 | C16 | C14 | C9 | 178.0° | 79.7° |
| C16 | N8 | C2 | N1 | 176.0° | 179.7° |
| C16 | N8 | C2 | O12 | 3.1° | 0.0° |
| N8 | C16 | H2 | H3 | 116.8° | 120.0° |
| C2 | N8 | C16 | C14 | 99.0° | 180.0° |
| N8 | C2 | N1 | O12 | 179.2° | 179.7° |
| N8 | C2 | N1 | C4 | 177.8° | 179.8° |
| C2 | N8 | C16 | H2 | 140.0° | 60.0° |
| C2 | N8 | C16 | H3 | 22.1° | 60.0° |
| C16 | C14 | C30 | C9 | 177.6° | 179.7° |
| C16 | C14 | C9 | C7 | 3.0° | 0.3° |
| C16 | C14 | C30 | C33 | 178.8° | 179.8° |
| C16 | C14 | C9 | C27 | 178.4° | 179.7° |
| C14 | C16 | H2 | H3 | 116.8° | 119.9° |
| C16 | C14 | C30 | H14 | 1.2° | 0.4° |
| C14 | C16 | N8 | H17 | 81.0° | 0.0° |
| O17 | C7 | C9 | C14 | 161.9° | 0.0° |
| O17 | C7 | O23 | C9 | 179.4° | 180.0° |
| O17 | C7 | O23 | C31 | 6.7° | 0.0° |
| O17 | C7 | C9 | C27 | 16.6° | 180.0° |
| C30 | C14 | C9 | C7 | 179.4° | 180.0° |
| C14 | C30 | C33 | H14 | 180.0° | 179.9° |
| C30 | C14 | C9 | C27 | 0.8° | 0.0° |
| C14 | C30 | C33 | C32 | 0.1° | 0.1° |
| C30 | C14 | C16 | H2 | 125.4° | 20.1° |
| C30 | C14 | C16 | H3 | 116.6° | 140.0° |
| C14 | C30 | C33 | H22 | 179.9° | 180.0° |
| C14 | C9 | C7 | O23 | 17.5° | 180.0° |
| C14 | C9 | C7 | C27 | 178.6° | 180.0° |
| C9 | C14 | C30 | C33 | 1.1° | 0.1° |
| C14 | C9 | C27 | C32 | 0.7° | 0.1° |
| C9 | C14 | C16 | H2 | 57.0° | 160.2° |
| C9 | C14 | C16 | H3 | 61.0° | 40.3° |
| C14 | C9 | C27 | H11 | 179.3° | 180.0° |
| C9 | C14 | C30 | H14 | 178.8° | 179.9° |
| C2 | N1 | C4 | C24 | 177.4° | 179.0° |
| C2 | N1 | C4 | C3 | 64.6° | 61.6° |
| C2 | N1 | C22 | H4 | 90.4° | 85.3° |
| C2 | N1 | C22 | H5 | 33.8° | 37.0° |
| C2 | N1 | C4 | H15 | 59.8° | 59.6° |
| N1 | C2 | N8 | H17 | 4.0° | 0.3° |
| N1 | C4 | C24 | C3 | 117.3° | 119.4° |
| N1 | C4 | C24 | H15 | 118.5° | 119.4° |
| C4 | N1 | C2 | O12 | 3.0° | 0.1° |
| N1 | C4 | C3 | H15 | 124.8° | 121.1° |
| N1 | C4 | C3 | O11 | 26.1° | 17.8° |
| N1 | C4 | C3 | N6 | 153.6° | 162.2° |
| C4 | N1 | C22 | H4 | 86.6° | 94.7° |
| C4 | N1 | C22 | H5 | 149.2° | 143.0° |
| N1 | C4 | C24 | H6 | 142.0° | 140.6° |
| N1 | C4 | C24 | H7 | 95.9° | 96.4° |
| O23 | C7 | C9 | C27 | 164.0° | 0.0° |
| C7 | O23 | C31 | H18 | 180.0° | 60.0° |
| C7 | O23 | C31 | H19 | 60.0° | 180.0° |
| C7 | O23 | C31 | H20 | 60.0° | 60.0° |
| C31 | O23 | C7 | C9 | 173.9° | 180.0° |
| O23 | C31 | H18 | H19 | 120.0° | 120.0° |
| O23 | C31 | H18 | H20 | 120.0° | 120.1° |
| O23 | C31 | H19 | H20 | 120.0° | 120.1° |
| C7 | C9 | C27 | C32 | 178.1° | 180.0° |
| C7 | C9 | C27 | H11 | 2.0° | 0.0° |
| C30 | C33 | C32 | H22 | 180.0° | 180.0° |
| C30 | C33 | C32 | C27 | 1.5° | 0.0° |
| C30 | C33 | C32 | H21 | 178.4° | 180.0° |
| C24 | C4 | C3 | H15 | 123.8° | 121.0° |
| C24 | C4 | C3 | O11 | 85.3° | 100.0° |
| C24 | C4 | C3 | N6 | 95.1° | 80.0° |
| C4 | C24 | H6 | H7 | 123.0° | 123.1° |
| C4 | C24 | C25 | H8 | 76.2° | 82.6° |
| C4 | C24 | C25 | H9 | 161.3° | 153.6° |
| C9 | C27 | C32 | C33 | 1.9° | 0.1° |
| C9 | C27 | C32 | H11 | 180.0° | 180.0° |
| C9 | C27 | C32 | H21 | 178.1° | 180.0° |
| O12 | C2 | N8 | H17 | 176.9° | 180.0° |
| C33 | C32 | C27 | H21 | 180.0° | 180.0° |
| C33 | C32 | C27 | H11 | 178.1° | 180.0° |
| C32 | C33 | C30 | H14 | 179.9° | 180.0° |
| C27 | C32 | C33 | H22 | 178.5° | 180.0° |
| C4 | C3 | O11 | N6 | 179.6° | 180.0° |
| C4 | C3 | N6 | C13 | 179.2° | 174.7° |
| C3 | C4 | C24 | H6 | 100.6° | 100.0° |
| C3 | C4 | C24 | H7 | 21.4° | 23.1° |
| C4 | C3 | N6 | H16 | 0.8° | 5.2° |
| O11 | C3 | N6 | C13 | 0.5° | 5.3° |
| O11 | C3 | C4 | H15 | 150.9° | 139.0° |
| O11 | C3 | N6 | H16 | 179.5° | 174.8° |
| C3 | N6 | C13 | H16 | 180.0° | 180.0° |
| C3 | N6 | C13 | C28 | 47.1° | 33.5° |
| C3 | N6 | C13 | C15 | 135.7° | 146.8° |
| N6 | C3 | C4 | H15 | 28.7° | 41.0° |
| N6 | C13 | C28 | C15 | 177.1° | 179.7° |
| N6 | C13 | C28 | C26 | 179.7° | 179.7° |
| N6 | C13 | C15 | C18 | 179.3° | 179.8° |
| N6 | C13 | C15 | H1 | 0.7° | 0.3° |
| N6 | C13 | C28 | H12 | 0.3° | 0.2° |
| C13 | C28 | C26 | H12 | 180.0° | 179.9° |
| C13 | C28 | C26 | C29 | 0.8° | 0.1° |
| C28 | C13 | C15 | C18 | 3.5° | 0.0° |
| C28 | C13 | C15 | H1 | 176.5° | 179.9° |
| C13 | C28 | C26 | H10 | 179.3° | 180.0° |
| C28 | C13 | N6 | H16 | 132.9° | 146.4° |
| C26 | C28 | C13 | C15 | 2.7° | 0.0° |
| C28 | C26 | C29 | H10 | 180.0° | 180.0° |
| C28 | C26 | C29 | C18 | 0.2° | 0.0° |
| C28 | C26 | C29 | H13 | 179.8° | 180.0° |
| C13 | C15 | C18 | H1 | 180.0° | 179.9° |
| C13 | C15 | C18 | C29 | 2.5° | 0.1° |
| C13 | C15 | C18 | O10 | 179.2° | 180.0° |
| C15 | C13 | C28 | H12 | 177.4° | 179.9° |
| C15 | C13 | N6 | H16 | 44.3° | 33.3° |
| C26 | C29 | C18 | C15 | 0.7° | 0.0° |
| C26 | C29 | C18 | H13 | 180.0° | 180.0° |
| C26 | C29 | C18 | O10 | 178.9° | 180.0° |
| C29 | C26 | C28 | H12 | 179.2° | 180.0° |
| C15 | C18 | C29 | O10 | 178.2° | 180.0° |
| C15 | C18 | O10 | C5 | 97.9° | 180.0° |
| C15 | C18 | C29 | H13 | 179.3° | 179.9° |
| C29 | C18 | O10 | C5 | 83.8° | 0.0° |
| C29 | C18 | C15 | H1 | 177.5° | 180.0° |
| C18 | C29 | C26 | H10 | 179.8° | 180.0° |
| C18 | O10 | C5 | F20 | 62.6° | 180.0° |
| C18 | O10 | C5 | F19 | 54.9° | 60.0° |
| C18 | O10 | C5 | F21 | 179.8° | 60.0° |
| O10 | C18 | C15 | H1 | 0.8° | 0.1° |
| O10 | C18 | C29 | H13 | 1.1° | 0.0° |
| F20 | C5 | O10 | F19 | 117.6° | 120.0° |
| F20 | C5 | O10 | F21 | 117.6° | 120.0° |
| F20 | C5 | F19 | F21 | 121.3° | 119.9° |
| O10 | C5 | F19 | F21 | 121.4° | 120.0° |
| H2 | C16 | N8 | H17 | 40.0° | 120.0° |
| H3 | C16 | N8 | H17 | 158.0° | 120.0° |
| H4 | C22 | C25 | H8 | 166.4° | 160.1° |
| H4 | C22 | C25 | H9 | 43.9° | 36.3° |
| H5 | C22 | C25 | H8 | 42.2° | 37.8° |
| H5 | C22 | C25 | H9 | 80.2° | 86.1° |
| H6 | C24 | C25 | H8 | 42.8° | 35.8° |
| H6 | C24 | C25 | H9 | 79.7° | 88.1° |
| H6 | C24 | C4 | H15 | 23.5° | 21.1° |
| H7 | C24 | C25 | H8 | 164.8° | 158.9° |
| H7 | C24 | C25 | H9 | 42.4° | 35.1° |
| H7 | C24 | C4 | H15 | 145.6° | 144.2° |
| H10 | C26 | C28 | H12 | 0.7° | 0.1° |
| H10 | C26 | C29 | H13 | 0.2° | 0.0° |
| H11 | C27 | C32 | H21 | 1.9° | 0.0° |
| H14 | C30 | C33 | H22 | 0.1° | 0.1° |
| H18 | C31 | H19 | H20 | 120.0° | 119.9° |
| H21 | C32 | C33 | H22 | 1.6° | 0.0° |
