HRV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL27 | C26 | sing | 1.74Å | 1.72Å | |
| O19 | C18 | doub | 1.22Å | 1.22Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.48Å | 1.47Å | |
| C18 | N17 | sing | 1.35Å | 1.37Å | |
| C20 | N21 | doub | 1.33Å | 1.35Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | CL24 | sing | 1.74Å | 1.73Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C22 | sing | 1.31Å | 1.36Å | Aromatic |
| N17 | C16 | sing | 1.40Å | 1.39Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | F31 | sing | 1.35Å | 1.33Å | |
| C30 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C2 | sing | 1.51Å | 1.54Å | |
| F12 | C10 | sing | 1.40Å | 1.35Å | |
| F13 | C10 | sing | 1.40Å | 1.34Å | |
| C10 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | F11 | sing | 1.40Å | 1.36Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C8 | sing | 1.53Å | 1.56Å | |
| C2 | N3 | sing | 1.46Å | 1.50Å | |
| C8 | O7 | sing | 1.43Å | 1.43Å | |
| N3 | C4 | doub | 1.28Å | 1.34Å | |
| O7 | C6 | sing | 1.43Å | 1.43Å | |
| C4 | C6 | sing | 1.50Å | 1.48Å | |
| C4 | N5 | sing | 1.37Å | 1.32Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C29 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N17 | H12 | sing | 0.97Å | 1.00Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL27 | C26 | C25 | 117.0° | 120.4° |
| CL27 | C26 | C20 | 124.4° | 120.5° |
| O19 | C18 | C20 | 119.9° | 120.0° |
| O19 | C18 | N17 | 128.2° | 120.0° |
| C25 | C26 | C20 | 118.7° | 119.1° |
| C26 | C25 | C23 | 118.7° | 118.4° |
| C26 | C25 | H6 | 120.7° | 120.8° |
| C26 | C20 | C18 | 121.9° | 119.7° |
| C26 | C20 | N21 | 124.0° | 120.6° |
| C25 | C23 | CL24 | 119.9° | 120.3° |
| C25 | C23 | C22 | 118.6° | 119.4° |
| C23 | C25 | H6 | 120.6° | 120.8° |
| C20 | C18 | N17 | 111.8° | 120.0° |
| C18 | C20 | N21 | 114.1° | 119.7° |
| C18 | N17 | C16 | 124.8° | 120.0° |
| C18 | N17 | H12 | 117.6° | 120.0° |
| C20 | N21 | C22 | 115.8° | 121.6° |
| C29 | C28 | C16 | 118.5° | 120.0° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C29 | C28 | H7 | 120.8° | 120.0° |
| C28 | C29 | H8 | 120.0° | 119.9° |
| C28 | C16 | N17 | 122.5° | 120.1° |
| C28 | C16 | C15 | 121.2° | 119.9° |
| C16 | C28 | H7 | 120.8° | 120.0° |
| CL24 | C23 | C22 | 121.5° | 120.4° |
| C23 | C22 | N21 | 124.3° | 121.0° |
| C23 | C22 | H5 | 117.8° | 119.5° |
| C29 | C30 | F31 | 118.3° | 119.9° |
| C29 | C30 | C14 | 121.7° | 120.1° |
| C30 | C29 | H8 | 120.0° | 120.0° |
| N21 | C22 | H5 | 117.9° | 119.5° |
| N17 | C16 | C15 | 116.3° | 120.0° |
| C16 | N17 | H12 | 117.6° | 120.0° |
| C16 | C15 | C14 | 120.9° | 119.9° |
| C16 | C15 | H4 | 119.6° | 120.1° |
| F31 | C30 | C14 | 119.9° | 119.9° |
| C30 | C14 | C15 | 117.7° | 120.1° |
| C30 | C14 | C2 | 124.6° | 120.0° |
| C15 | C14 | C2 | 117.7° | 119.9° |
| C14 | C15 | H4 | 119.5° | 120.0° |
| C14 | C2 | C1 | 112.5° | 109.4° |
| C14 | C2 | C8 | 112.8° | 109.4° |
| C14 | C2 | N3 | 108.2° | 109.4° |
| F12 | C10 | F13 | 107.0° | 109.5° |
| F12 | C10 | C8 | 112.5° | 109.5° |
| F12 | C10 | F11 | 108.4° | 109.5° |
| F13 | C10 | C8 | 111.8° | 109.5° |
| F13 | C10 | F11 | 107.9° | 109.5° |
| C8 | C10 | F11 | 109.0° | 109.4° |
| C10 | C8 | C2 | 114.5° | 109.7° |
| C10 | C8 | O7 | 106.1° | 109.7° |
| C10 | C8 | H11 | 109.3° | 109.7° |
| C1 | C2 | C8 | 110.4° | 109.4° |
| C1 | C2 | N3 | 106.9° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C8 | C2 | N3 | 105.6° | 109.9° |
| C2 | C8 | O7 | 107.8° | 108.4° |
| C2 | C8 | H11 | 108.7° | 109.7° |
| C2 | N3 | C4 | 125.9° | 123.3° |
| C8 | O7 | C6 | 111.8° | 112.8° |
| O7 | C8 | H11 | 110.5° | 109.7° |
| N3 | C4 | C6 | 119.4° | 123.2° |
| N3 | C4 | N5 | 124.9° | 118.3° |
| O7 | C6 | C4 | 112.0° | 109.9° |
| O7 | C6 | H9 | 108.8° | 109.4° |
| O7 | C6 | H10 | 108.9° | 109.4° |
| C6 | C4 | N5 | 115.7° | 118.4° |
| C4 | C6 | H9 | 108.8° | 109.3° |
| C4 | C6 | H10 | 108.8° | 109.4° |
| C4 | N5 | H13 | 120.0° | 120.0° |
| C4 | N5 | H14 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.4° |
| H13 | N5 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL27 | C26 | C25 | C20 | 179.7° | 180.0° |
| CL27 | C26 | C25 | C23 | 179.5° | 179.9° |
| CL27 | C26 | C20 | C18 | 1.6° | 0.0° |
| CL27 | C26 | C20 | N21 | 179.6° | 179.8° |
| CL27 | C26 | C25 | H6 | 0.5° | 0.0° |
| O19 | C18 | C20 | C26 | 42.3° | 0.3° |
| O19 | C18 | C20 | N17 | 175.9° | 180.0° |
| O19 | C18 | C20 | N21 | 136.6° | 180.0° |
| O19 | C18 | N17 | C16 | 3.9° | 5.1° |
| O19 | C18 | N17 | H12 | 176.1° | 175.0° |
| C26 | C25 | C23 | H6 | 180.0° | 179.9° |
| C25 | C26 | C20 | C18 | 178.7° | 180.0° |
| C25 | C26 | C20 | N21 | 0.1° | 0.2° |
| C26 | C25 | C23 | CL24 | 179.9° | 180.0° |
| C26 | C25 | C23 | C22 | 0.1° | 0.3° |
| C20 | C26 | C25 | C23 | 0.2° | 0.1° |
| C26 | C20 | C18 | N21 | 178.9° | 179.8° |
| C26 | C20 | C18 | N17 | 141.8° | 179.8° |
| C26 | C20 | N21 | C22 | 0.2° | 0.2° |
| C20 | C26 | C25 | H6 | 179.8° | 180.0° |
| C25 | C23 | CL24 | C22 | 179.7° | 179.7° |
| C25 | C23 | C22 | N21 | 0.1° | 0.3° |
| C25 | C23 | C22 | H5 | 179.9° | 179.7° |
| C18 | C20 | N21 | C22 | 179.1° | 180.0° |
| C20 | C18 | N17 | C16 | 179.4° | 175.0° |
| C20 | C18 | N17 | H12 | 0.6° | 5.0° |
| N17 | C18 | C20 | N21 | 39.4° | 0.0° |
| C18 | N17 | C16 | C28 | 12.5° | 33.2° |
| C18 | N17 | C16 | H12 | 180.0° | 179.9° |
| C18 | N17 | C16 | C15 | 167.7° | 146.8° |
| C20 | N21 | C22 | C23 | 0.3° | 0.0° |
| C20 | N21 | C22 | H5 | 179.7° | 180.0° |
| C29 | C28 | C16 | H7 | 180.0° | 179.7° |
| C28 | C29 | C30 | H8 | 180.0° | 179.7° |
| C29 | C28 | C16 | N17 | 179.8° | 180.0° |
| C29 | C28 | C16 | C15 | 0.4° | 0.0° |
| C28 | C29 | C30 | F31 | 179.2° | 180.0° |
| C28 | C29 | C30 | C14 | 0.1° | 0.6° |
| C16 | C28 | C29 | C30 | 0.2° | 0.3° |
| C28 | C16 | N17 | C15 | 179.8° | 180.0° |
| C28 | C16 | C15 | C14 | 0.3° | 0.0° |
| C28 | C16 | C15 | H4 | 179.7° | 179.9° |
| C16 | C28 | C29 | H8 | 179.8° | 180.0° |
| C28 | C16 | N17 | H12 | 167.5° | 146.7° |
| CL24 | C23 | C22 | N21 | 179.6° | 180.0° |
| CL24 | C23 | C22 | H5 | 0.4° | 0.0° |
| CL24 | C23 | C25 | H6 | 0.1° | 0.0° |
| C23 | C22 | N21 | H5 | 180.0° | 180.0° |
| C22 | C23 | C25 | H6 | 179.9° | 179.8° |
| C29 | C30 | F31 | C14 | 179.3° | 179.4° |
| C29 | C30 | C14 | C15 | 0.3° | 0.6° |
| C29 | C30 | C14 | C2 | 179.8° | 179.7° |
| C30 | C29 | C28 | H7 | 179.8° | 180.0° |
| N17 | C16 | C15 | C14 | 179.9° | 180.0° |
| N17 | C16 | C15 | H4 | 0.1° | 0.0° |
| N17 | C16 | C28 | H7 | 0.2° | 0.3° |
| C16 | C15 | C14 | C30 | 0.1° | 0.3° |
| C16 | C15 | C14 | H4 | 180.0° | 179.9° |
| C16 | C15 | C14 | C2 | 179.6° | 180.0° |
| C15 | C16 | C28 | H7 | 179.6° | 179.7° |
| C15 | C16 | N17 | H12 | 12.3° | 33.2° |
| F31 | C30 | C14 | C15 | 179.0° | 180.0° |
| F31 | C30 | C14 | C2 | 0.5° | 0.3° |
| F31 | C30 | C29 | H8 | 0.8° | 0.3° |
| C30 | C14 | C15 | C2 | 179.5° | 179.7° |
| C30 | C14 | C2 | C1 | 30.7° | 171.1° |
| C30 | C14 | C2 | C8 | 95.0° | 69.2° |
| C30 | C14 | C2 | N3 | 148.6° | 51.2° |
| C30 | C14 | C15 | H4 | 179.9° | 179.7° |
| C14 | C30 | C29 | H8 | 179.8° | 179.7° |
| C15 | C14 | C2 | C1 | 149.9° | 8.7° |
| C15 | C14 | C2 | C8 | 84.5° | 111.1° |
| C15 | C14 | C2 | N3 | 32.0° | 128.5° |
| C14 | C2 | C8 | C10 | 51.7° | 47.7° |
| C14 | C2 | C1 | C8 | 127.0° | 119.7° |
| C14 | C2 | C1 | N3 | 118.7° | 119.8° |
| C14 | C2 | C8 | N3 | 118.0° | 120.1° |
| C14 | C2 | C8 | O7 | 66.0° | 72.0° |
| C14 | C2 | N3 | C4 | 102.1° | 102.9° |
| C14 | C2 | C1 | H1 | 180.0° | 60.0° |
| C14 | C2 | C1 | H2 | 60.0° | 180.0° |
| C14 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C14 | C15 | H4 | 0.4° | 0.1° |
| C14 | C2 | C8 | H11 | 174.2° | 168.3° |
| F12 | C10 | F13 | C8 | 123.7° | 120.0° |
| F12 | C10 | F13 | F11 | 116.4° | 120.0° |
| F12 | C10 | C8 | F11 | 120.3° | 119.9° |
| F12 | C10 | C8 | C2 | 67.5° | 175.5° |
| F12 | C10 | C8 | O7 | 51.2° | 65.6° |
| F12 | C10 | C8 | H11 | 170.3° | 54.9° |
| F13 | C10 | C8 | F11 | 119.3° | 120.0° |
| F13 | C10 | C8 | C2 | 53.0° | 64.5° |
| F13 | C10 | C8 | O7 | 171.7° | 54.4° |
| F13 | C10 | C8 | H11 | 69.2° | 175.0° |
| C10 | C8 | C2 | C1 | 75.1° | 72.0° |
| C10 | C8 | C2 | O7 | 117.8° | 119.7° |
| C10 | C8 | C2 | H11 | 122.5° | 120.5° |
| C10 | C8 | C2 | N3 | 169.7° | 167.8° |
| C10 | C8 | O7 | H11 | 118.3° | 120.5° |
| C10 | C8 | O7 | C6 | 164.9° | 173.4° |
| F11 | C10 | C8 | C2 | 172.2° | 55.5° |
| F11 | C10 | C8 | O7 | 69.0° | 174.4° |
| F11 | C10 | C8 | H11 | 50.1° | 65.0° |
| C1 | C2 | C8 | N3 | 115.2° | 120.2° |
| C1 | C2 | C8 | O7 | 167.2° | 168.2° |
| C1 | C2 | N3 | C4 | 136.5° | 137.3° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C8 | H11 | 47.4° | 48.5° |
| C2 | C8 | O7 | H11 | 118.6° | 119.7° |
| C8 | C2 | N3 | C4 | 19.0° | 17.2° |
| C2 | C8 | O7 | C6 | 72.0° | 66.8° |
| C8 | C2 | C1 | H1 | 53.0° | 179.8° |
| C8 | C2 | C1 | H2 | 67.0° | 60.3° |
| C8 | C2 | C1 | H3 | 173.0° | 59.7° |
| N3 | C2 | C8 | O7 | 52.0° | 48.1° |
| C2 | N3 | C4 | C6 | 0.0° | 0.4° |
| C2 | N3 | C4 | N5 | 179.5° | 179.5° |
| N3 | C2 | C1 | H1 | 61.3° | 59.8° |
| N3 | C2 | C1 | H2 | 178.7° | 60.2° |
| N3 | C2 | C1 | H3 | 58.7° | 179.8° |
| N3 | C2 | C8 | H11 | 67.8° | 71.6° |
| C8 | O7 | C6 | C4 | 50.5° | 48.5° |
| C8 | O7 | C6 | H9 | 170.9° | 71.6° |
| C8 | O7 | C6 | H10 | 69.9° | 168.6° |
| N3 | C4 | C6 | O7 | 13.7° | 14.7° |
| N3 | C4 | C6 | N5 | 179.5° | 179.8° |
| N3 | C4 | C6 | H9 | 134.1° | 105.4° |
| N3 | C4 | C6 | H10 | 106.7° | 134.8° |
| N3 | C4 | N5 | H13 | 0.0° | 180.0° |
| N3 | C4 | N5 | H14 | 180.0° | 0.1° |
| O7 | C6 | C4 | H9 | 120.4° | 120.1° |
| O7 | C6 | C4 | H10 | 120.4° | 120.1° |
| O7 | C6 | C4 | N5 | 165.8° | 165.2° |
| O7 | C6 | H9 | H10 | 118.9° | 119.8° |
| C6 | O7 | C8 | H11 | 46.7° | 52.9° |
| C4 | C6 | H9 | H10 | 118.8° | 119.8° |
| C6 | C4 | N5 | H13 | 179.4° | 0.1° |
| C6 | C4 | N5 | H14 | 0.5° | 180.0° |
| N5 | C4 | C6 | H9 | 45.4° | 74.8° |
| N5 | C4 | C6 | H10 | 73.8° | 45.1° |
| C4 | N5 | H13 | H14 | 180.0° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H7 | C28 | C29 | H8 | 0.2° | 0.3° |
