5RC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N27 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| F24 | C23 | sing | 1.40Å | 1.36Å | |
| C23 | C18 | sing | 1.53Å | 1.58Å | |
| C23 | F26 | sing | 1.40Å | 1.36Å | |
| C18 | N17 | sing | 1.47Å | 1.46Å | |
| F30 | C28 | sing | 1.40Å | 1.35Å | |
| N17 | C16 | sing | 1.35Å | 1.35Å | |
| F29 | C28 | sing | 1.40Å | 1.35Å | |
| C28 | F31 | sing | 1.40Å | 1.36Å | |
| C28 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | N9 | doub | 1.31Å | 1.34Å | Aromatic |
| C16 | O25 | doub | 1.22Å | 1.23Å | |
| C16 | C12 | sing | 1.47Å | 1.48Å | |
| C7 | C6 | doub | 1.36Å | 1.41Å | Aromatic |
| N9 | C2 | sing | 1.34Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | S13 | sing | 1.76Å | 1.73Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.37Å | 1.35Å | Aromatic |
| N1 | N5 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C3 | sing | 1.48Å | 1.50Å | |
| C10 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| S13 | C14 | sing | 1.71Å | 1.74Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| N5 | C4 | doub | 1.31Å | 1.38Å | Aromatic |
| C15 | C32 | sing | 1.53Å | 1.51Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| N17 | H15 | sing | 0.97Å | 1.00Å | |
| N27 | H16 | sing | 1.01Å | 1.00Å | |
| N27 | H17 | sing | 1.01Å | 1.00Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 111.7° | 109.5° |
| C21 | C20 | C19 | 111.9° | 109.5° |
| C21 | C20 | H5 | 108.8° | 109.5° |
| C21 | C20 | H6 | 108.8° | 109.5° |
| C20 | C21 | H7 | 108.9° | 109.5° |
| C20 | C21 | H8 | 108.9° | 109.4° |
| C21 | C22 | C23 | 110.9° | 109.5° |
| C22 | C21 | H7 | 108.9° | 109.5° |
| C22 | C21 | H8 | 108.9° | 109.4° |
| C21 | C22 | H9 | 109.1° | 109.5° |
| C21 | C22 | H10 | 109.1° | 109.5° |
| C20 | C19 | N27 | 110.8° | 109.5° |
| C20 | C19 | C18 | 111.1° | 109.5° |
| C20 | C19 | H4 | 107.0° | 109.5° |
| C19 | C20 | H5 | 108.9° | 109.5° |
| C19 | C20 | H6 | 108.8° | 109.5° |
| N27 | C19 | C18 | 113.2° | 109.5° |
| N27 | C19 | H4 | 107.7° | 109.5° |
| C19 | N27 | H16 | 109.5° | 111.0° |
| C19 | N27 | H17 | 109.5° | 111.0° |
| C19 | C18 | C23 | 111.3° | 109.5° |
| C19 | C18 | N17 | 113.1° | 109.5° |
| C19 | C18 | H1 | 107.2° | 109.5° |
| C18 | C19 | H4 | 106.8° | 109.5° |
| C22 | C23 | F24 | 109.5° | 109.5° |
| C22 | C23 | C18 | 116.5° | 109.5° |
| C22 | C23 | F26 | 109.5° | 109.5° |
| C23 | C22 | H9 | 109.1° | 109.5° |
| C23 | C22 | H10 | 109.1° | 109.5° |
| F24 | C23 | C18 | 110.4° | 109.5° |
| F24 | C23 | F26 | 101.3° | 109.5° |
| C18 | C23 | F26 | 108.5° | 109.5° |
| C23 | C18 | N17 | 110.1° | 109.5° |
| C23 | C18 | H1 | 106.7° | 109.5° |
| C18 | N17 | C16 | 123.1° | 120.0° |
| N17 | C18 | H1 | 108.2° | 109.4° |
| C18 | N17 | H15 | 118.5° | 120.0° |
| F30 | C28 | F29 | 104.8° | 109.4° |
| F30 | C28 | F31 | 106.8° | 109.5° |
| F30 | C28 | C7 | 112.1° | 109.4° |
| N17 | C16 | O25 | 122.1° | 120.0° |
| N17 | C16 | C12 | 118.7° | 120.0° |
| C16 | N17 | H15 | 118.5° | 120.0° |
| F29 | C28 | F31 | 107.2° | 109.5° |
| F29 | C28 | C7 | 112.1° | 109.5° |
| F31 | C28 | C7 | 113.3° | 109.5° |
| C28 | C7 | C8 | 120.1° | 120.3° |
| C28 | C7 | C6 | 120.8° | 120.3° |
| C7 | C8 | N9 | 124.0° | 120.3° |
| C8 | C7 | C6 | 118.9° | 119.4° |
| C7 | C8 | H14 | 118.0° | 119.9° |
| C8 | N9 | C2 | 116.4° | 120.8° |
| N9 | C8 | H14 | 118.0° | 119.8° |
| O25 | C16 | C12 | 119.2° | 120.0° |
| C16 | C12 | C11 | 132.8° | 125.2° |
| C16 | C12 | S13 | 113.1° | 125.2° |
| C7 | C6 | N1 | 116.8° | 119.1° |
| C7 | C6 | H13 | 121.6° | 120.4° |
| N9 | C2 | N1 | 123.0° | 120.6° |
| N9 | C2 | C3 | 129.4° | 132.6° |
| C12 | C11 | C10 | 113.3° | 113.4° |
| C11 | C12 | S13 | 110.4° | 109.6° |
| C12 | C11 | H11 | 123.3° | 123.3° |
| C11 | C10 | C3 | 122.7° | 122.8° |
| C11 | C10 | C14 | 112.9° | 114.4° |
| C10 | C11 | H11 | 123.3° | 123.3° |
| C12 | S13 | C14 | 93.0° | 91.8° |
| N1 | C2 | C3 | 107.6° | 106.8° |
| C2 | N1 | C6 | 120.8° | 119.7° |
| C2 | N1 | N5 | 112.0° | 107.9° |
| C2 | C3 | C10 | 127.5° | 126.3° |
| C2 | C3 | C4 | 104.3° | 107.3° |
| C6 | N1 | N5 | 127.2° | 132.4° |
| N1 | C6 | H13 | 121.6° | 120.5° |
| N1 | N5 | C4 | 102.3° | 109.1° |
| C3 | C10 | C14 | 124.5° | 122.8° |
| C10 | C3 | C4 | 128.2° | 126.4° |
| C10 | C14 | S13 | 110.4° | 110.8° |
| C10 | C14 | C15 | 130.6° | 124.6° |
| C3 | C4 | N5 | 113.9° | 108.9° |
| C3 | C4 | H12 | 123.1° | 125.6° |
| S13 | C14 | C15 | 118.9° | 124.6° |
| C14 | C15 | C32 | 114.0° | 109.5° |
| C14 | C15 | H2 | 108.3° | 109.5° |
| C14 | C15 | H3 | 108.3° | 109.4° |
| N5 | C4 | H12 | 123.1° | 125.5° |
| C32 | C15 | H2 | 108.3° | 109.5° |
| C32 | C15 | H3 | 108.3° | 109.5° |
| C15 | C32 | H19 | 109.5° | 109.4° |
| C15 | C32 | H20 | 109.5° | 109.5° |
| C15 | C32 | H21 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H16 | N27 | H17 | 109.4° | 111.0° |
| H19 | C32 | H20 | 109.4° | 109.5° |
| H19 | C32 | H21 | 109.4° | 109.4° |
| H20 | C32 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H7 | 120.3° | 120.0° |
| C20 | C21 | C22 | H8 | 120.3° | 120.0° |
| C21 | C20 | C19 | H5 | 120.4° | 120.0° |
| C21 | C20 | C19 | H6 | 120.4° | 120.0° |
| C21 | C20 | C19 | N27 | 176.3° | 180.0° |
| C21 | C20 | C19 | C18 | 57.0° | 60.0° |
| C20 | C21 | C22 | C23 | 53.6° | 60.0° |
| C21 | C20 | C19 | H4 | 59.3° | 60.0° |
| C21 | C20 | H5 | H6 | 118.9° | 120.0° |
| C20 | C21 | H7 | H8 | 119.0° | 120.0° |
| C20 | C21 | C22 | H9 | 66.6° | 60.0° |
| C20 | C21 | C22 | H10 | 173.8° | 180.0° |
| C22 | C21 | C20 | C19 | 59.6° | 60.0° |
| C21 | C22 | C23 | H9 | 120.2° | 120.0° |
| C21 | C22 | C23 | H10 | 120.2° | 120.0° |
| C21 | C22 | C23 | F24 | 78.3° | 60.0° |
| C21 | C22 | C23 | C18 | 47.9° | 60.0° |
| C21 | C22 | C23 | F26 | 171.5° | 180.0° |
| C22 | C21 | C20 | H5 | 180.0° | 60.0° |
| C22 | C21 | C20 | H6 | 60.7° | 180.0° |
| C22 | C21 | H7 | H8 | 119.0° | 120.0° |
| C21 | C22 | H9 | H10 | 119.4° | 120.0° |
| C20 | C19 | N27 | C18 | 125.5° | 120.0° |
| C20 | C19 | N27 | H4 | 116.7° | 120.0° |
| C20 | C19 | C18 | H4 | 116.4° | 120.1° |
| C20 | C19 | C18 | C23 | 48.6° | 60.0° |
| C20 | C19 | C18 | N17 | 76.0° | 60.0° |
| C20 | C19 | C18 | H1 | 164.9° | 179.9° |
| C19 | C20 | H5 | H6 | 118.9° | 120.0° |
| C19 | C20 | C21 | H7 | 180.0° | 180.0° |
| C19 | C20 | C21 | H8 | 60.7° | 60.0° |
| C20 | C19 | N27 | H16 | 180.0° | 60.0° |
| C20 | C19 | N27 | H17 | 60.0° | 64.0° |
| N27 | C19 | C18 | H4 | 118.3° | 120.0° |
| N27 | C19 | C18 | C23 | 173.9° | 180.0° |
| N27 | C19 | C18 | N17 | 49.4° | 60.0° |
| N27 | C19 | C18 | H1 | 69.8° | 60.0° |
| N27 | C19 | C20 | H5 | 56.0° | 60.0° |
| N27 | C19 | C20 | H6 | 63.3° | 60.0° |
| C19 | N27 | H16 | H17 | 120.0° | 123.9° |
| C19 | C18 | C23 | C22 | 46.0° | 60.0° |
| C19 | C18 | C23 | F24 | 79.7° | 60.0° |
| C19 | C18 | C23 | N17 | 126.2° | 120.0° |
| C19 | C18 | C23 | H1 | 116.6° | 120.0° |
| C19 | C18 | C23 | F26 | 170.1° | 180.0° |
| C19 | C18 | N17 | H1 | 118.6° | 120.0° |
| C19 | C18 | N17 | C16 | 143.5° | 155.0° |
| C18 | C19 | C20 | H5 | 177.4° | 60.0° |
| C18 | C19 | C20 | H6 | 63.4° | 180.0° |
| C19 | C18 | N17 | H15 | 36.4° | 25.0° |
| C18 | C19 | N27 | H16 | 54.5° | 180.0° |
| C18 | C19 | N27 | H17 | 174.5° | 56.0° |
| C22 | C23 | F24 | C18 | 129.6° | 120.0° |
| C22 | C23 | F24 | F26 | 115.6° | 120.0° |
| C22 | C23 | C18 | F26 | 124.1° | 120.0° |
| C22 | C23 | C18 | N17 | 80.2° | 60.0° |
| C22 | C23 | C18 | H1 | 162.7° | 180.0° |
| C23 | C22 | C21 | H7 | 174.0° | 180.0° |
| C23 | C22 | C21 | H8 | 66.7° | 60.0° |
| C23 | C22 | H9 | H10 | 119.3° | 120.0° |
| F24 | C23 | C18 | F26 | 110.2° | 120.0° |
| F24 | C23 | C18 | N17 | 154.1° | 180.0° |
| F24 | C23 | C18 | H1 | 36.9° | 60.0° |
| F24 | C23 | C22 | H9 | 161.5° | 180.0° |
| F24 | C23 | C22 | H10 | 41.9° | 60.0° |
| C23 | C18 | N17 | H1 | 116.3° | 120.0° |
| C23 | C18 | N17 | C16 | 91.3° | 85.0° |
| C23 | C18 | C19 | H4 | 67.8° | 60.1° |
| C18 | C23 | C22 | H9 | 72.3° | 60.0° |
| C18 | C23 | C22 | H10 | 168.1° | 180.0° |
| C23 | C18 | N17 | H15 | 88.7° | 95.0° |
| F26 | C23 | C18 | N17 | 43.9° | 60.0° |
| F26 | C23 | C18 | H1 | 73.3° | 60.0° |
| F26 | C23 | C22 | H9 | 51.3° | 60.0° |
| F26 | C23 | C22 | H10 | 68.3° | 60.0° |
| C18 | N17 | C16 | H15 | 180.0° | 180.0° |
| C18 | N17 | C16 | O25 | 3.6° | 0.0° |
| C18 | N17 | C16 | C12 | 178.8° | 180.0° |
| N17 | C18 | C19 | H4 | 167.7° | 180.0° |
| F30 | C28 | F29 | F31 | 113.3° | 120.0° |
| F30 | C28 | F29 | C7 | 121.8° | 119.9° |
| F30 | C28 | F31 | C7 | 124.0° | 120.0° |
| F30 | C28 | C7 | C8 | 56.4° | 85.1° |
| F30 | C28 | C7 | C6 | 118.3° | 95.0° |
| N17 | C16 | O25 | C12 | 177.5° | 180.0° |
| N17 | C16 | C12 | C11 | 6.3° | 180.0° |
| N17 | C16 | C12 | S13 | 149.5° | 0.0° |
| C16 | N17 | C18 | H1 | 25.0° | 35.0° |
| F29 | C28 | F31 | C7 | 124.2° | 120.0° |
| F29 | C28 | C7 | C8 | 61.2° | 155.0° |
| F29 | C28 | C7 | C6 | 124.1° | 24.9° |
| F31 | C28 | C7 | C8 | 177.4° | 34.9° |
| F31 | C28 | C7 | C6 | 2.7° | 145.0° |
| C28 | C7 | C8 | C6 | 174.8° | 179.9° |
| C28 | C7 | C8 | N9 | 172.3° | 179.6° |
| C28 | C7 | C6 | N1 | 171.9° | 180.0° |
| C28 | C7 | C6 | H13 | 8.1° | 0.1° |
| C28 | C7 | C8 | H14 | 7.7° | 0.0° |
| C7 | C8 | N9 | H14 | 180.0° | 179.6° |
| C7 | C8 | N9 | C2 | 0.4° | 0.5° |
| C8 | C7 | C6 | N1 | 2.9° | 0.1° |
| C8 | C7 | C6 | H13 | 177.1° | 180.0° |
| N9 | C8 | C7 | C6 | 2.5° | 0.4° |
| C8 | N9 | C2 | N1 | 1.2° | 0.2° |
| C8 | N9 | C2 | C3 | 177.9° | 179.8° |
| O25 | C16 | C12 | C11 | 171.3° | 0.0° |
| O25 | C16 | C12 | S13 | 32.9° | 180.0° |
| O25 | C16 | N17 | H15 | 176.4° | 180.0° |
| C16 | C12 | C11 | S13 | 156.3° | 180.0° |
| C16 | C12 | C11 | C10 | 156.4° | 180.0° |
| C16 | C12 | S13 | C14 | 161.1° | 180.0° |
| C16 | C12 | C11 | H11 | 23.6° | 0.3° |
| C12 | C16 | N17 | H15 | 1.2° | 0.0° |
| C7 | C6 | N1 | C2 | 1.5° | 0.3° |
| C7 | C6 | N1 | H13 | 180.0° | 179.9° |
| C7 | C6 | N1 | N5 | 176.3° | 180.0° |
| C6 | C7 | C8 | H14 | 177.5° | 180.0° |
| N9 | C2 | N1 | C3 | 179.2° | 180.0° |
| N9 | C2 | N1 | C6 | 0.6° | 0.2° |
| N9 | C2 | N1 | N5 | 178.6° | 180.0° |
| N9 | C2 | C3 | C10 | 2.9° | 0.0° |
| N9 | C2 | C3 | C4 | 178.5° | 180.0° |
| C2 | N9 | C8 | H14 | 179.6° | 179.9° |
| C12 | C11 | C10 | H11 | 180.0° | 179.7° |
| C12 | C11 | C10 | C3 | 179.8° | 179.9° |
| C12 | C11 | C10 | C14 | 0.5° | 0.0° |
| C11 | C12 | S13 | C14 | 0.2° | 0.0° |
| C10 | C11 | C12 | S13 | 0.1° | 0.0° |
| C11 | C10 | C3 | C2 | 34.9° | 115.1° |
| C11 | C10 | C3 | C14 | 179.6° | 179.9° |
| C11 | C10 | C3 | C4 | 146.8° | 64.9° |
| C11 | C10 | C14 | S13 | 0.6° | 0.0° |
| C11 | C10 | C14 | C15 | 176.9° | 180.0° |
| C12 | S13 | C14 | C10 | 0.5° | 0.0° |
| C12 | S13 | C14 | C15 | 177.3° | 180.0° |
| S13 | C12 | C11 | H11 | 179.9° | 179.7° |
| C2 | N1 | C6 | N5 | 177.7° | 179.7° |
| N1 | C2 | C3 | C10 | 177.9° | 180.0° |
| N1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C2 | N1 | N5 | C4 | 0.2° | 0.0° |
| C2 | N1 | C6 | H13 | 178.6° | 179.7° |
| C3 | C2 | N1 | C6 | 178.6° | 179.8° |
| C3 | C2 | N1 | N5 | 0.6° | 0.0° |
| C2 | C3 | C10 | C4 | 178.3° | 180.0° |
| C2 | C3 | C10 | C14 | 144.7° | 65.0° |
| C2 | C3 | C4 | N5 | 0.6° | 0.0° |
| C2 | C3 | C4 | H12 | 179.5° | 180.0° |
| C6 | N1 | N5 | C4 | 178.1° | 179.8° |
| N1 | N5 | C4 | C3 | 0.2° | 0.0° |
| N1 | N5 | C4 | H12 | 179.8° | 180.0° |
| N5 | N1 | C6 | H13 | 3.7° | 0.1° |
| C3 | C10 | C14 | S13 | 179.7° | 180.0° |
| C3 | C10 | C14 | C15 | 2.8° | 0.0° |
| C10 | C3 | C4 | N5 | 178.0° | 180.0° |
| C3 | C10 | C11 | H11 | 0.2° | 0.4° |
| C10 | C3 | C4 | H12 | 2.0° | 0.0° |
| C14 | C10 | C3 | C4 | 33.6° | 115.0° |
| C10 | C14 | S13 | C15 | 177.8° | 180.0° |
| C10 | C14 | C15 | C32 | 124.8° | 90.0° |
| C10 | C14 | C15 | H2 | 114.6° | 150.0° |
| C10 | C14 | C15 | H3 | 4.1° | 30.0° |
| C14 | C10 | C11 | H11 | 179.5° | 179.7° |
| C3 | C4 | N5 | H12 | 180.0° | 180.0° |
| S13 | C14 | C15 | C32 | 52.5° | 90.0° |
| S13 | C14 | C15 | H2 | 68.1° | 30.0° |
| S13 | C14 | C15 | H3 | 173.2° | 150.0° |
| C14 | C15 | C32 | H2 | 120.7° | 120.0° |
| C14 | C15 | C32 | H3 | 120.7° | 119.9° |
| C14 | C15 | H2 | H3 | 117.9° | 120.0° |
| C14 | C15 | C32 | H19 | 180.0° | 180.0° |
| C14 | C15 | C32 | H20 | 60.0° | 60.0° |
| C14 | C15 | C32 | H21 | 60.0° | 60.1° |
| C32 | C15 | H2 | H3 | 117.9° | 120.0° |
| C15 | C32 | H19 | H20 | 120.0° | 120.0° |
| C15 | C32 | H19 | H21 | 120.0° | 119.9° |
| C15 | C32 | H20 | H21 | 120.0° | 120.0° |
| H1 | C18 | C19 | H4 | 48.5° | 60.0° |
| H1 | C18 | N17 | H15 | 155.0° | 145.0° |
| H2 | C15 | C32 | H19 | 59.3° | 60.0° |
| H2 | C15 | C32 | H20 | 179.3° | 180.0° |
| H2 | C15 | C32 | H21 | 60.7° | 59.9° |
| H3 | C15 | C32 | H19 | 59.3° | 60.1° |
| H3 | C15 | C32 | H20 | 60.7° | 59.9° |
| H3 | C15 | C32 | H21 | 179.3° | NaN° |
| H4 | C19 | C20 | H5 | 61.1° | 180.0° |
| H4 | C19 | C20 | H6 | 179.6° | 60.0° |
| H4 | C19 | N27 | H16 | 63.3° | 60.0° |
| H4 | C19 | N27 | H17 | 56.7° | 176.0° |
| H5 | C20 | C21 | H7 | 59.6° | 60.0° |
| H5 | C20 | C21 | H8 | 59.7° | 180.0° |
| H6 | C20 | C21 | H7 | 59.7° | 60.0° |
| H6 | C20 | C21 | H8 | 179.0° | 60.0° |
| H7 | C21 | C22 | H9 | 53.8° | 60.0° |
| H7 | C21 | C22 | H10 | 65.8° | 60.0° |
| H8 | C21 | C22 | H9 | 173.1° | 180.0° |
| H8 | C21 | C22 | H10 | 53.5° | 60.0° |
| H19 | C32 | H20 | H21 | 120.0° | 120.0° |
