F3R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C15 | sing | 1.53Å | 1.58Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.59Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C14 | C12 | sing | 1.51Å | 1.54Å | |
| O04 | C03 | doub | 1.21Å | 1.25Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | N11 | sing | 1.35Å | 1.42Å | |
| C02 | C03 | sing | 1.51Å | 1.58Å | |
| C02 | N11 | sing | 1.47Å | 1.50Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C03 | N05 | sing | 1.35Å | 1.39Å | |
| N10 | N09 | sing | 1.28Å | 1.36Å | Aromatic |
| N10 | C06 | doub | 1.31Å | 1.39Å | Aromatic |
| N09 | N08 | doub | 1.29Å | 1.43Å | Aromatic |
| C06 | N05 | sing | 1.39Å | 1.44Å | |
| C06 | N07 | sing | 1.35Å | 1.37Å | Aromatic |
| N08 | N07 | sing | 1.41Å | 1.35Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å | |
| N07 | H11 | sing | 0.97Å | 1.00Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C20 | C19 | 116.9° | 109.5° |
| C20 | C15 | C16 | 114.7° | 109.5° |
| C20 | C15 | C14 | 113.6° | 109.5° |
| C20 | C15 | H1 | 104.1° | 109.4° |
| C15 | C20 | H4 | 107.6° | 109.5° |
| C15 | C20 | H5 | 107.6° | 109.5° |
| C20 | C19 | C18 | 113.0° | 109.5° |
| C19 | C20 | H4 | 107.6° | 109.4° |
| C19 | C20 | H5 | 107.6° | 109.4° |
| C20 | C19 | H19 | 108.6° | 109.5° |
| C20 | C19 | H20 | 108.6° | 109.5° |
| C16 | C15 | C14 | 114.5° | 109.5° |
| C15 | C16 | C17 | 114.3° | 109.5° |
| C16 | C15 | H1 | 104.3° | 109.5° |
| C15 | C16 | H15 | 108.2° | 109.5° |
| C15 | C16 | H16 | 108.2° | 109.5° |
| C15 | C14 | C12 | 117.3° | 109.5° |
| C14 | C15 | H1 | 104.0° | 109.5° |
| C15 | C14 | H13 | 107.5° | 109.5° |
| C15 | C14 | H14 | 107.5° | 109.5° |
| C16 | C17 | C18 | 111.0° | 109.5° |
| C16 | C17 | H2 | 109.1° | 109.5° |
| C16 | C17 | H3 | 109.1° | 109.5° |
| C17 | C16 | H15 | 108.3° | 109.4° |
| C17 | C16 | H16 | 108.3° | 109.4° |
| C19 | C18 | C17 | 111.1° | 109.4° |
| C19 | C18 | H17 | 109.1° | 109.5° |
| C19 | C18 | H18 | 109.1° | 109.5° |
| C18 | C19 | H19 | 108.6° | 109.4° |
| C18 | C19 | H20 | 108.6° | 109.4° |
| C18 | C17 | H2 | 109.1° | 109.4° |
| C18 | C17 | H3 | 109.1° | 109.4° |
| C17 | C18 | H17 | 109.1° | 109.5° |
| C17 | C18 | H18 | 109.1° | 109.4° |
| C14 | C12 | O13 | 114.3° | 120.0° |
| C14 | C12 | N11 | 127.9° | 120.0° |
| C12 | C14 | H13 | 107.5° | 109.4° |
| C12 | C14 | H14 | 107.5° | 109.5° |
| O04 | C03 | C02 | 113.0° | 120.0° |
| O04 | C03 | N05 | 120.6° | 120.0° |
| O13 | C12 | N11 | 117.8° | 120.0° |
| C12 | N11 | C02 | 125.9° | 120.0° |
| C12 | N11 | H12 | 117.0° | 120.0° |
| C03 | C02 | N11 | 110.1° | 109.5° |
| C03 | C02 | C01 | 108.0° | 109.5° |
| C02 | C03 | N05 | 126.4° | 120.0° |
| C03 | C02 | H9 | 109.6° | 109.5° |
| N11 | C02 | C01 | 108.5° | 109.5° |
| N11 | C02 | H9 | 110.7° | 109.5° |
| C02 | N11 | H12 | 117.0° | 120.0° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.4° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 110.0° | 109.5° |
| C03 | N05 | C06 | 124.2° | 120.0° |
| C03 | N05 | H10 | 117.9° | 120.1° |
| N09 | N10 | C06 | 106.8° | 110.5° |
| N10 | N09 | N08 | 108.1° | 110.3° |
| N10 | C06 | N05 | 125.5° | 126.4° |
| N10 | C06 | N07 | 109.7° | 107.1° |
| N09 | N08 | N07 | 107.4° | 106.7° |
| N05 | C06 | N07 | 124.8° | 126.4° |
| C06 | N05 | H10 | 117.9° | 120.0° |
| C06 | N07 | N08 | 108.0° | 105.3° |
| C06 | N07 | H11 | 126.0° | 127.4° |
| N08 | N07 | H11 | 126.0° | 127.3° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C20 | C19 | H4 | 121.1° | 120.0° |
| C15 | C20 | C19 | H5 | 121.1° | 120.0° |
| C20 | C15 | C16 | C14 | 133.8° | 120.0° |
| C20 | C15 | C16 | H1 | 113.2° | 120.0° |
| C20 | C15 | C14 | H1 | 112.5° | 119.9° |
| C20 | C15 | C16 | C17 | 35.0° | 60.0° |
| C15 | C20 | C19 | C18 | 38.7° | 60.0° |
| C20 | C15 | C14 | C12 | 50.7° | 65.0° |
| C15 | C20 | H4 | H5 | 116.6° | 120.0° |
| C20 | C15 | C14 | H13 | 171.9° | 55.0° |
| C20 | C15 | C14 | H14 | 70.4° | 175.0° |
| C20 | C15 | C16 | H15 | 85.7° | 180.0° |
| C20 | C15 | C16 | H16 | 155.7° | 60.0° |
| C15 | C20 | C19 | H19 | 81.9° | 180.0° |
| C15 | C20 | C19 | H20 | 159.2° | 60.0° |
| C19 | C20 | C15 | C16 | 28.2° | 60.0° |
| C19 | C20 | C15 | C14 | 106.1° | 180.0° |
| C20 | C19 | C18 | H19 | 120.5° | 120.0° |
| C20 | C19 | C18 | H20 | 120.5° | 120.0° |
| C20 | C19 | C18 | C17 | 56.0° | 60.0° |
| C19 | C20 | C15 | H1 | 141.5° | 60.0° |
| C19 | C20 | H4 | H5 | 116.6° | 119.9° |
| C20 | C19 | C18 | H17 | 176.2° | 180.0° |
| C20 | C19 | C18 | H18 | 64.2° | 60.0° |
| C20 | C19 | H19 | H20 | 118.4° | 120.1° |
| C16 | C15 | C14 | H1 | 113.1° | 120.1° |
| C15 | C16 | C17 | H15 | 120.7° | 120.0° |
| C15 | C16 | C17 | H16 | 120.7° | 120.0° |
| C15 | C16 | C17 | C18 | 52.7° | 60.0° |
| C16 | C15 | C14 | C12 | 83.6° | 175.0° |
| C15 | C16 | C17 | H2 | 173.0° | 60.0° |
| C15 | C16 | C17 | H3 | 67.5° | 180.0° |
| C16 | C15 | C20 | H4 | 149.3° | 60.0° |
| C16 | C15 | C20 | H5 | 92.9° | 180.0° |
| C16 | C15 | C14 | H13 | 37.5° | 65.0° |
| C16 | C15 | C14 | H14 | 155.2° | 55.0° |
| C15 | C16 | H15 | H16 | 117.8° | 120.0° |
| C14 | C15 | C16 | C17 | 98.8° | 180.0° |
| C15 | C14 | C12 | H13 | 121.1° | 120.0° |
| C15 | C14 | C12 | H14 | 121.1° | 120.0° |
| C15 | C14 | C12 | O13 | 16.4° | 0.1° |
| C15 | C14 | C12 | N11 | 163.4° | 180.0° |
| C14 | C15 | C20 | H4 | 15.0° | 60.0° |
| C14 | C15 | C20 | H5 | 132.9° | 60.0° |
| C15 | C14 | H13 | H14 | 116.4° | 120.0° |
| C14 | C15 | C16 | H15 | 140.4° | 60.0° |
| C14 | C15 | C16 | H16 | 21.9° | 60.0° |
| C16 | C17 | C18 | C19 | 63.5° | 60.0° |
| C16 | C17 | C18 | H2 | 120.2° | 120.0° |
| C16 | C17 | C18 | H3 | 120.3° | 120.0° |
| C17 | C16 | C15 | H1 | 148.2° | 60.0° |
| C16 | C17 | H2 | H3 | 119.3° | 120.1° |
| C17 | C16 | H15 | H16 | 117.8° | 120.0° |
| C16 | C17 | C18 | H17 | 176.3° | 180.0° |
| C16 | C17 | C18 | H18 | 56.8° | 60.0° |
| C19 | C18 | C17 | H17 | 120.3° | 120.0° |
| C19 | C18 | C17 | H18 | 120.3° | 120.0° |
| C19 | C18 | C17 | H2 | 176.3° | 60.0° |
| C19 | C18 | C17 | H3 | 56.8° | 180.0° |
| C18 | C19 | C20 | H4 | 159.8° | 60.0° |
| C18 | C19 | C20 | H5 | 82.4° | 180.0° |
| C19 | C18 | H17 | H18 | 119.3° | 120.0° |
| C18 | C19 | H19 | H20 | 118.4° | 119.9° |
| C18 | C17 | H2 | H3 | 119.3° | 119.9° |
| C18 | C17 | C16 | H15 | 68.0° | 180.0° |
| C18 | C17 | C16 | H16 | 173.4° | 60.0° |
| C17 | C18 | H17 | H18 | 119.2° | 120.0° |
| C17 | C18 | C19 | H19 | 64.6° | 180.0° |
| C17 | C18 | C19 | H20 | 176.5° | 60.0° |
| C14 | C12 | O13 | N11 | 179.8° | 179.9° |
| C14 | C12 | N11 | C02 | 0.9° | 180.0° |
| C12 | C14 | C15 | H1 | 163.2° | 55.0° |
| C14 | C12 | N11 | H12 | 179.2° | 0.0° |
| C12 | C14 | H13 | H14 | 116.4° | 120.0° |
| O04 | C03 | C02 | N05 | 179.2° | 179.9° |
| O04 | C03 | C02 | N11 | 125.3° | 0.1° |
| O04 | C03 | C02 | C01 | 116.5° | 120.0° |
| O04 | C03 | N05 | C06 | 0.5° | 0.0° |
| O04 | C03 | C02 | H9 | 3.3° | 120.0° |
| O04 | C03 | N05 | H10 | 179.5° | 180.0° |
| O13 | C12 | N11 | C02 | 179.3° | 0.1° |
| O13 | C12 | N11 | H12 | 0.6° | 179.9° |
| O13 | C12 | C14 | H13 | 104.7° | 120.1° |
| O13 | C12 | C14 | H14 | 137.6° | 120.0° |
| C12 | N11 | C02 | C03 | 63.0° | 155.0° |
| C12 | N11 | C02 | H12 | 180.0° | 180.0° |
| C12 | N11 | C02 | C01 | 179.1° | 85.0° |
| C12 | N11 | C02 | H9 | 58.3° | 35.0° |
| N11 | C12 | C14 | H13 | 75.5° | 60.0° |
| N11 | C12 | C14 | H14 | 42.3° | 59.9° |
| C03 | C02 | N11 | C01 | 118.0° | 120.0° |
| C03 | C02 | N11 | H9 | 121.3° | 120.1° |
| C03 | C02 | C01 | H9 | 119.6° | 120.0° |
| C02 | C03 | N05 | C06 | 178.6° | 180.0° |
| C03 | C02 | C01 | H6 | 180.0° | 180.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | C01 | H8 | 60.0° | 60.0° |
| C02 | C03 | N05 | H10 | 1.5° | 0.1° |
| C03 | C02 | N11 | H12 | 117.0° | 25.0° |
| N11 | C02 | C01 | H9 | 121.2° | 120.0° |
| N11 | C02 | C03 | N05 | 53.9° | 180.0° |
| N11 | C02 | C01 | H6 | 60.7° | 60.0° |
| N11 | C02 | C01 | H7 | 59.3° | 60.0° |
| N11 | C02 | C01 | H8 | 179.3° | 180.0° |
| C01 | C02 | C03 | N05 | 64.4° | 60.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | N11 | H12 | 1.0° | 95.0° |
| C03 | N05 | C06 | N10 | 35.4° | 179.7° |
| C03 | N05 | C06 | H10 | 180.0° | 179.9° |
| C03 | N05 | C06 | N07 | 142.9° | 0.0° |
| N05 | C03 | C02 | H9 | 175.8° | 60.0° |
| N09 | N10 | C06 | N05 | 179.1° | 179.8° |
| N09 | N10 | C06 | N07 | 0.6° | 0.5° |
| N10 | N09 | N08 | N07 | 0.1° | 0.2° |
| C06 | N10 | N09 | N08 | 0.3° | 0.4° |
| N10 | C06 | N05 | N07 | 178.3° | 179.7° |
| N10 | C06 | N07 | N08 | 0.7° | 0.3° |
| N10 | C06 | N05 | H10 | 144.6° | 0.4° |
| N10 | C06 | N07 | H11 | 179.3° | 179.8° |
| N09 | N08 | N07 | C06 | 0.4° | 0.0° |
| N09 | N08 | N07 | H11 | 179.6° | 180.0° |
| N05 | C06 | N07 | N08 | 179.2° | 180.0° |
| N05 | C06 | N07 | H11 | 0.8° | 0.0° |
| C06 | N07 | N08 | H11 | 180.0° | 180.0° |
| N07 | C06 | N05 | H10 | 37.1° | 180.0° |
| H1 | C15 | C20 | H4 | 97.5° | 180.0° |
| H1 | C15 | C20 | H5 | 20.4° | 60.0° |
| H1 | C15 | C14 | H13 | 75.6° | 174.9° |
| H1 | C15 | C14 | H14 | 42.1° | 65.1° |
| H1 | C15 | C16 | H15 | 27.4° | 60.0° |
| H1 | C15 | C16 | H16 | 91.1° | 180.0° |
| H2 | C17 | C16 | H15 | 52.3° | 60.0° |
| H2 | C17 | C16 | H16 | 66.3° | 180.0° |
| H2 | C17 | C18 | H17 | 56.0° | 60.0° |
| H2 | C17 | C18 | H18 | 63.5° | NaN° |
| H3 | C17 | C16 | H15 | 171.8° | 60.0° |
| H3 | C17 | C16 | H16 | 53.2° | 60.0° |
| H3 | C17 | C18 | H17 | 63.5° | 60.0° |
| H3 | C17 | C18 | H18 | 177.0° | 60.1° |
| H4 | C20 | C19 | H19 | 39.2° | 59.9° |
| H4 | C20 | C19 | H20 | 79.7° | 180.0° |
| H5 | C20 | C19 | H19 | 157.0° | 60.0° |
| H5 | C20 | C19 | H20 | 38.1° | 60.1° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 60.5° | 60.0° |
| H7 | C01 | C02 | H9 | 179.5° | 179.9° |
| H8 | C01 | C02 | H9 | 59.6° | 60.0° |
| H9 | C02 | N11 | H12 | 121.7° | 145.0° |
| H17 | C18 | C19 | H19 | 55.7° | 60.0° |
| H17 | C18 | C19 | H20 | 63.2° | 60.0° |
| H18 | C18 | C19 | H19 | 175.2° | 60.1° |
| H18 | C18 | C19 | H20 | 56.3° | 180.0° |
