6RV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F12 | C11 | sing | 1.40Å | 1.36Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C15 | C8 | sing | 1.51Å | 1.49Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| F14 | C11 | sing | 1.40Å | 1.36Å | |
| O7 | C6 | doub | 1.22Å | 1.19Å | |
| C11 | C9 | sing | 1.51Å | 1.48Å | |
| C11 | F13 | sing | 1.40Å | 1.36Å | |
| N19 | C18 | trip | 1.14Å | 1.11Å | |
| C18 | C17 | sing | 1.47Å | 1.44Å | |
| C8 | C9 | doub | 1.32Å | 1.29Å | |
| C8 | N5 | sing | 1.37Å | 1.35Å | |
| C9 | S10 | sing | 1.77Å | 1.71Å | |
| C6 | N5 | sing | 1.37Å | 1.36Å | |
| C6 | C1 | sing | 1.40Å | 1.39Å | |
| N5 | C4 | sing | 1.36Å | 1.33Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | |
| C4 | S10 | sing | 1.77Å | 1.71Å | |
| C4 | N3 | doub | 1.32Å | 1.31Å | |
| CL3 | C22 | sing | 1.74Å | 1.71Å | |
| C2 | N3 | sing | 1.33Å | 1.30Å | |
| C2 | C20 | sing | 1.51Å | 1.47Å | |
| C20 | N21 | sing | 1.47Å | 1.41Å | |
| C22 | N21 | sing | 1.35Å | 1.30Å | Aromatic |
| C22 | C23 | doub | 1.35Å | 1.33Å | Aromatic |
| N21 | N25 | sing | 1.40Å | 1.35Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.37Å | Aromatic |
| N25 | C24 | doub | 1.31Å | 1.27Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.47Å | |
| F27 | C26 | sing | 1.40Å | 1.35Å | |
| C26 | F29 | sing | 1.40Å | 1.35Å | |
| C26 | F28 | sing | 1.40Å | 1.37Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F12 | C11 | F14 | 104.7° | 109.5° |
| F12 | C11 | C9 | 106.3° | 109.5° |
| F12 | C11 | F13 | 112.2° | 109.5° |
| C15 | C16 | C17 | 60.1° | 60.0° |
| C16 | C15 | C8 | 126.1° | 117.5° |
| C16 | C15 | C17 | 59.5° | 60.0° |
| C16 | C15 | H3 | 115.6° | 117.5° |
| C15 | C16 | H4 | 120.0° | 117.5° |
| C15 | C16 | H5 | 119.9° | 117.6° |
| C16 | C17 | C15 | 60.4° | 60.0° |
| C16 | C17 | C18 | 126.5° | 117.5° |
| C17 | C16 | H4 | 120.0° | 117.5° |
| C17 | C16 | H5 | 120.0° | 117.5° |
| C16 | C17 | H6 | 114.4° | 117.5° |
| C8 | C15 | C17 | 108.5° | 117.5° |
| C15 | C8 | C9 | 124.0° | 120.5° |
| C15 | C8 | N5 | 119.8° | 120.5° |
| C8 | C15 | H3 | 116.1° | 115.5° |
| C15 | C17 | C18 | 112.2° | 117.5° |
| C17 | C15 | H3 | 115.7° | 117.5° |
| C15 | C17 | H6 | 114.3° | 117.5° |
| F14 | C11 | C9 | 106.5° | 109.5° |
| F14 | C11 | F13 | 110.3° | 109.5° |
| O7 | C6 | N5 | 121.3° | 120.1° |
| O7 | C6 | C1 | 119.0° | 120.1° |
| C9 | C11 | F13 | 116.0° | 109.4° |
| C11 | C9 | C8 | 128.2° | 127.3° |
| C11 | C9 | S10 | 121.3° | 127.2° |
| N19 | C18 | C17 | 174.7° | 179.9° |
| C18 | C17 | H6 | 115.7° | 115.6° |
| C9 | C8 | N5 | 116.2° | 119.0° |
| C8 | C9 | S10 | 110.3° | 105.5° |
| C8 | N5 | C6 | 129.1° | 127.0° |
| C8 | N5 | C4 | 112.3° | 115.4° |
| C9 | S10 | C4 | 90.5° | 94.3° |
| N5 | C6 | C1 | 119.6° | 119.8° |
| C6 | N5 | C4 | 118.6° | 117.6° |
| C6 | C1 | C2 | 117.4° | 119.3° |
| C6 | C1 | H1 | 121.3° | 120.4° |
| N5 | C4 | S10 | 110.6° | 105.9° |
| N5 | C4 | N3 | 122.0° | 122.7° |
| C1 | C2 | N3 | 121.0° | 119.1° |
| C1 | C2 | C20 | 123.7° | 120.5° |
| C2 | C1 | H1 | 121.3° | 120.3° |
| S10 | C4 | N3 | 127.4° | 131.5° |
| C4 | N3 | C2 | 121.3° | 121.5° |
| CL3 | C22 | N21 | 123.5° | 126.2° |
| CL3 | C22 | C23 | 129.2° | 126.1° |
| N3 | C2 | C20 | 115.3° | 120.5° |
| C2 | C20 | N21 | 113.2° | 109.5° |
| C2 | C20 | H7 | 108.5° | 109.4° |
| C2 | C20 | H8 | 108.5° | 109.5° |
| C20 | N21 | C22 | 123.0° | 126.0° |
| C20 | N21 | N25 | 127.0° | 126.0° |
| N21 | C20 | H7 | 108.6° | 109.4° |
| N21 | C20 | H8 | 108.5° | 109.5° |
| N21 | C22 | C23 | 107.3° | 107.7° |
| C22 | N21 | N25 | 109.9° | 108.0° |
| C22 | C23 | C24 | 106.5° | 107.9° |
| C22 | C23 | H9 | 126.8° | 126.0° |
| N21 | N25 | C24 | 107.0° | 108.2° |
| C23 | C24 | N25 | 109.3° | 108.2° |
| C23 | C24 | C26 | 126.0° | 125.9° |
| C24 | C23 | H9 | 126.8° | 126.0° |
| N25 | C24 | C26 | 124.7° | 125.9° |
| C24 | C26 | F27 | 106.8° | 109.5° |
| C24 | C26 | F29 | 109.1° | 109.5° |
| C24 | C26 | F28 | 111.3° | 109.5° |
| F27 | C26 | F29 | 111.6° | 109.5° |
| F27 | C26 | F28 | 111.5° | 109.5° |
| F29 | C26 | F28 | 106.6° | 109.5° |
| H4 | C16 | H5 | 109.5° | 115.6° |
| H7 | C20 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F12 | C11 | F14 | C9 | 112.4° | 120.0° |
| F12 | C11 | F14 | F13 | 120.9° | 120.0° |
| F12 | C11 | C9 | F13 | 125.6° | 120.0° |
| F12 | C11 | C9 | C8 | 36.7° | 127.7° |
| F12 | C11 | C9 | S10 | 139.3° | 51.3° |
| C15 | C16 | C17 | H4 | 109.5° | 107.5° |
| C15 | C16 | C17 | H5 | 109.5° | 107.5° |
| C16 | C15 | C8 | C17 | 65.3° | 68.7° |
| C16 | C15 | C8 | H3 | 162.5° | 145.7° |
| C16 | C15 | C17 | H3 | 105.9° | 107.5° |
| C16 | C15 | C17 | C18 | 120.4° | 107.5° |
| C16 | C15 | C8 | C9 | 31.8° | 55.2° |
| C16 | C15 | C8 | N5 | 148.1° | 124.0° |
| C15 | C16 | H4 | H5 | 144.7° | 145.8° |
| C15 | C16 | C17 | H6 | 105.1° | 107.5° |
| C16 | C17 | C18 | N19 | 152.5° | 5.2° |
| C16 | C17 | C18 | H6 | 157.8° | 145.7° |
| C17 | C16 | H4 | H5 | 144.7° | 145.7° |
| C8 | C15 | C17 | H3 | 132.4° | 144.9° |
| C15 | C8 | C9 | C11 | 3.6° | 0.9° |
| C8 | C15 | C17 | C18 | 117.9° | 145.0° |
| C15 | C8 | C9 | N5 | 180.0° | 179.2° |
| C15 | C8 | C9 | S10 | 180.0° | 180.0° |
| C15 | C8 | N5 | C6 | 0.4° | 0.3° |
| C15 | C8 | N5 | C4 | 180.0° | 179.9° |
| C8 | C15 | C16 | H4 | 18.0° | 0.1° |
| C8 | C15 | C16 | H5 | 159.0° | 145.0° |
| C8 | C15 | C17 | H6 | 16.3° | 0.0° |
| C15 | C17 | C18 | N19 | 83.7° | 63.4° |
| C15 | C17 | C18 | H6 | 133.5° | 145.7° |
| C17 | C15 | C8 | C9 | 97.1° | 123.9° |
| C17 | C15 | C8 | N5 | 82.9° | 55.3° |
| F14 | C11 | C9 | F13 | 123.2° | 120.0° |
| F14 | C11 | C9 | C8 | 147.9° | 112.3° |
| F14 | C11 | C9 | S10 | 28.1° | 68.8° |
| O7 | C6 | N5 | C8 | 0.9° | 0.1° |
| O7 | C6 | N5 | C1 | 177.3° | 179.9° |
| O7 | C6 | N5 | C4 | 178.7° | 179.7° |
| O7 | C6 | C1 | C2 | 179.0° | 179.5° |
| O7 | C6 | C1 | H1 | 1.0° | 0.1° |
| C11 | C9 | C8 | S10 | 176.3° | 179.1° |
| C11 | C9 | C8 | N5 | 176.4° | 180.0° |
| C11 | C9 | S10 | C4 | 176.7° | 179.7° |
| F13 | C11 | C9 | C8 | 88.9° | 7.7° |
| F13 | C11 | C9 | S10 | 95.1° | 171.2° |
| N19 | C18 | C17 | H6 | 49.8° | 150.9° |
| C18 | C17 | C15 | H3 | 14.5° | 0.1° |
| C18 | C17 | C16 | H4 | 153.6° | 145.0° |
| C18 | C17 | C16 | H5 | 12.6° | 0.0° |
| C9 | C8 | N5 | C6 | 179.7° | 179.4° |
| C9 | C8 | N5 | C4 | 0.1° | 0.7° |
| C8 | C9 | S10 | C4 | 0.0° | 0.6° |
| C9 | C8 | C15 | H3 | 130.7° | 90.5° |
| N5 | C8 | C9 | S10 | 0.1° | 0.8° |
| C8 | N5 | C6 | C4 | 179.6° | 179.8° |
| C8 | N5 | C6 | C1 | 178.2° | 180.0° |
| C8 | N5 | C4 | S10 | 0.0° | 0.2° |
| C8 | N5 | C4 | N3 | 179.7° | 179.6° |
| N5 | C8 | C15 | H3 | 49.4° | 90.4° |
| C9 | S10 | C4 | N5 | 0.0° | 0.3° |
| C9 | S10 | C4 | N3 | 179.7° | 180.0° |
| N5 | C6 | C1 | C2 | 1.6° | 0.4° |
| C6 | N5 | C4 | S10 | 179.7° | 180.0° |
| C6 | N5 | C4 | N3 | 0.1° | 0.2° |
| N5 | C6 | C1 | H1 | 178.4° | 180.0° |
| C1 | C6 | N5 | C4 | 1.4° | 0.1° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C6 | C1 | C2 | N3 | 0.4° | 0.3° |
| C6 | C1 | C2 | C20 | 179.5° | 179.6° |
| N5 | C4 | S10 | N3 | 179.7° | 179.7° |
| N5 | C4 | N3 | C2 | 1.3° | 0.4° |
| C1 | C2 | N3 | C4 | 1.1° | 0.1° |
| C1 | C2 | N3 | C20 | 179.2° | 179.9° |
| C1 | C2 | C20 | N21 | 48.8° | 95.0° |
| C1 | C2 | C20 | H7 | 71.8° | 145.1° |
| C1 | C2 | C20 | H8 | 169.3° | 25.0° |
| S10 | C4 | N3 | C2 | 178.4° | 179.9° |
| C4 | N3 | C2 | C20 | 178.1° | 180.0° |
| CL3 | C22 | N21 | C20 | 1.7° | 0.1° |
| CL3 | C22 | N21 | C23 | 179.2° | 179.9° |
| CL3 | C22 | N21 | N25 | 179.9° | 179.8° |
| CL3 | C22 | C23 | C24 | 179.7° | 179.9° |
| CL3 | C22 | C23 | H9 | 0.3° | 0.1° |
| N3 | C2 | C20 | N21 | 132.1° | 84.9° |
| N3 | C2 | C1 | H1 | 179.6° | 179.9° |
| N3 | C2 | C20 | H7 | 107.3° | 35.1° |
| N3 | C2 | C20 | H8 | 11.5° | 155.1° |
| C2 | C20 | N21 | H7 | 120.5° | 120.0° |
| C2 | C20 | N21 | H8 | 120.5° | 120.0° |
| C2 | C20 | N21 | C22 | 117.4° | 89.7° |
| C2 | C20 | N21 | N25 | 64.5° | 89.9° |
| C20 | C2 | C1 | H1 | 0.5° | 0.0° |
| C2 | C20 | H7 | H8 | 118.3° | 120.0° |
| C20 | N21 | C22 | N25 | 178.4° | 179.7° |
| C20 | N21 | C22 | C23 | 179.1° | 180.0° |
| C20 | N21 | N25 | C24 | 178.9° | 179.8° |
| N21 | C20 | H7 | H8 | 118.3° | 120.0° |
| N21 | C22 | C23 | C24 | 0.6° | 0.0° |
| C22 | N21 | N25 | C24 | 0.6° | 0.5° |
| C22 | N21 | C20 | H7 | 3.1° | 150.3° |
| C22 | N21 | C20 | H8 | 122.0° | 30.3° |
| N21 | C22 | C23 | H9 | 179.4° | 180.0° |
| C23 | C22 | N21 | N25 | 0.7° | 0.3° |
| C22 | C23 | C24 | H9 | 180.0° | 180.0° |
| C22 | C23 | C24 | N25 | 0.2° | 0.3° |
| C22 | C23 | C24 | C26 | 179.1° | 180.0° |
| N21 | N25 | C24 | C23 | 0.3° | 0.5° |
| N21 | N25 | C24 | C26 | 179.5° | 179.8° |
| N25 | N21 | C20 | H7 | 175.0° | 30.0° |
| N25 | N21 | C20 | H8 | 56.1° | 150.0° |
| C23 | C24 | N25 | C26 | 179.3° | 179.7° |
| C23 | C24 | C26 | F27 | 17.8° | 150.0° |
| C23 | C24 | C26 | F29 | 138.6° | 90.0° |
| C23 | C24 | C26 | F28 | 104.1° | 30.0° |
| N25 | C24 | C26 | F27 | 163.0° | 30.4° |
| N25 | C24 | C26 | F29 | 42.3° | 89.7° |
| N25 | C24 | C26 | F28 | 75.0° | 150.4° |
| N25 | C24 | C23 | H9 | 179.8° | 179.7° |
| C24 | C26 | F27 | F29 | 119.1° | 120.0° |
| C24 | C26 | F27 | F28 | 121.8° | 120.0° |
| C24 | C26 | F29 | F28 | 120.2° | 120.0° |
| C26 | C24 | C23 | H9 | 1.0° | 0.0° |
| F27 | C26 | F29 | F28 | 122.0° | 120.0° |
| H3 | C15 | C16 | H4 | 144.5° | 145.0° |
| H3 | C15 | C16 | H5 | 3.5° | 0.0° |
| H3 | C15 | C17 | H6 | 148.7° | 145.0° |
| H4 | C16 | C17 | H6 | 4.4° | 0.0° |
| H5 | C16 | C17 | H6 | 145.4° | 145.0° |
