R6F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NA2 | C2 | sing | 1.37Å | 1.39Å | |
| N1 | C2 | doub | 1.31Å | 1.32Å | |
| N1 | C8A | sing | 1.35Å | 1.33Å | |
| C2 | N3 | sing | 1.36Å | 1.35Å | |
| N8 | C8A | doub | 1.33Å | 1.34Å | Aromatic |
| N8 | C7 | sing | 1.32Å | 1.35Å | Aromatic |
| C8A | C4A | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| C7 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C4A | sing | 1.47Å | 1.41Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C4A | N5 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.56Å | |
| C102 | N10 | sing | 1.47Å | 1.49Å | |
| C9 | N10 | sing | 1.46Å | 1.48Å | |
| N10 | C14 | sing | 1.39Å | 1.46Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C | sing | 1.48Å | 1.53Å | |
| C | N | sing | 1.35Å | 1.45Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| N | CA | sing | 1.46Å | 1.49Å | |
| O2 | CT | doub | 1.21Å | 1.29Å | |
| CB | CA | sing | 1.53Å | 1.57Å | |
| CB | CG | sing | 1.53Å | 1.60Å | |
| OE1 | CD | doub | 1.21Å | 1.33Å | |
| CA | CT | sing | 1.51Å | 1.57Å | |
| CD | OE2 | sing | 1.34Å | 1.34Å | |
| CD | CG | sing | 1.51Å | 1.62Å | |
| CT | O1 | sing | 1.34Å | 1.28Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| OE2 | H1 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| N3 | H31 | sing | 0.97Å | 1.00Å | |
| NA2 | HN22 | sing | 0.97Å | 1.00Å | |
| NA2 | HN21 | sing | 0.97Å | 1.00Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C102 | H101 | sing | 1.09Å | 1.10Å | |
| C102 | H102 | sing | 1.09Å | 1.10Å | |
| C102 | H103 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NA2 | C2 | N1 | 118.5° | 118.4° |
| NA2 | C2 | N3 | 116.5° | 118.4° |
| C2 | NA2 | HN22 | 120.0° | 120.0° |
| C2 | NA2 | HN21 | 120.0° | 120.0° |
| C2 | N1 | C8A | 116.8° | 121.8° |
| N1 | C2 | N3 | 124.9° | 123.2° |
| N1 | C8A | N8 | 116.3° | 121.5° |
| N1 | C8A | C4A | 123.1° | 119.1° |
| C2 | N3 | C4 | 119.7° | 120.4° |
| C2 | N3 | H31 | 120.1° | 119.8° |
| C8A | N8 | C7 | 116.2° | 119.6° |
| N8 | C8A | C4A | 120.6° | 119.4° |
| N8 | C7 | C6 | 123.2° | 120.8° |
| N8 | C7 | H7 | 118.4° | 119.6° |
| C8A | C4A | C4 | 116.5° | 118.1° |
| C8A | C4A | N5 | 122.7° | 120.1° |
| N3 | C4 | C4A | 118.8° | 117.5° |
| N3 | C4 | O4 | 118.2° | 121.2° |
| C4 | N3 | H31 | 120.1° | 119.8° |
| C7 | C6 | N5 | 121.2° | 120.5° |
| C7 | C6 | C9 | 117.3° | 119.7° |
| C6 | C7 | H7 | 118.4° | 119.7° |
| C4A | C4 | O4 | 123.1° | 121.3° |
| C4 | C4A | N5 | 120.8° | 121.8° |
| C4A | N5 | C6 | 116.0° | 119.6° |
| N5 | C6 | C9 | 121.4° | 119.7° |
| C6 | C9 | N10 | 110.6° | 109.5° |
| C6 | C9 | H92 | 109.2° | 109.4° |
| C6 | C9 | H91 | 109.2° | 109.4° |
| C102 | N10 | C9 | 116.9° | 120.0° |
| C102 | N10 | C14 | 120.4° | 120.0° |
| N10 | C102 | H101 | 109.5° | 109.5° |
| N10 | C102 | H102 | 109.5° | 109.4° |
| N10 | C102 | H103 | 109.5° | 109.5° |
| C9 | N10 | C14 | 122.7° | 120.0° |
| N10 | C9 | H92 | 109.2° | 109.5° |
| N10 | C9 | H91 | 109.2° | 109.5° |
| N10 | C14 | C15 | 117.8° | 120.0° |
| N10 | C14 | C13 | 119.5° | 119.9° |
| C15 | C14 | C13 | 122.6° | 120.1° |
| C14 | C15 | C16 | 117.6° | 120.1° |
| C14 | C15 | H15 | 121.2° | 119.9° |
| C14 | C13 | C12 | 120.4° | 120.1° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C15 | C16 | C11 | 119.8° | 119.9° |
| C16 | C15 | H15 | 121.2° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C13 | C12 | C11 | 116.4° | 119.9° |
| C13 | C12 | H12 | 121.8° | 120.1° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C16 | C11 | C12 | 123.1° | 119.9° |
| C16 | C11 | C | 117.3° | 120.0° |
| C11 | C16 | H16 | 120.1° | 120.1° |
| C12 | C11 | C | 119.5° | 120.1° |
| C11 | C12 | H12 | 121.8° | 120.0° |
| C11 | C | N | 112.8° | 120.1° |
| C11 | C | O | 123.4° | 120.0° |
| N | C | O | 123.8° | 120.0° |
| C | N | CA | 116.5° | 120.1° |
| C | N | HN | 121.7° | 119.9° |
| N | CA | CB | 111.4° | 109.5° |
| N | CA | CT | 98.4° | 109.5° |
| CA | N | HN | 121.7° | 120.0° |
| N | CA | HA | 111.4° | 109.5° |
| O2 | CT | CA | 121.4° | 120.0° |
| O2 | CT | O1 | 117.9° | 120.0° |
| CA | CB | CG | 118.2° | 109.5° |
| CB | CA | CT | 114.7° | 109.5° |
| CB | CA | HA | 110.2° | 109.4° |
| CA | CB | HB1 | 107.2° | 109.5° |
| CA | CB | HB2 | 107.2° | 109.5° |
| CB | CG | CD | 106.6° | 109.5° |
| CG | CB | HB1 | 107.2° | 109.5° |
| CG | CB | HB2 | 107.3° | 109.5° |
| CB | CG | HG1 | 110.2° | 109.5° |
| CB | CG | HG2 | 110.2° | 109.4° |
| OE1 | CD | OE2 | 120.4° | 120.0° |
| OE1 | CD | CG | 117.0° | 120.0° |
| CA | CT | O1 | 120.7° | 120.0° |
| CT | CA | HA | 110.2° | 109.4° |
| OE2 | CD | CG | 122.6° | 120.0° |
| CD | OE2 | H1 | 109.5° | 116.9° |
| CD | CG | HG1 | 110.2° | 109.5° |
| CD | CG | HG2 | 110.2° | 109.5° |
| CT | O1 | H2 | 109.5° | 117.0° |
| HB1 | CB | HB2 | 109.5° | 109.4° |
| HG1 | CG | HG2 | 109.4° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.5° |
| HN22 | NA2 | HN21 | 120.0° | 120.0° |
| H101 | C102 | H102 | 109.5° | 109.4° |
| H101 | C102 | H103 | 109.5° | 109.5° |
| H102 | C102 | H103 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NA2 | C2 | N1 | N3 | 175.8° | 179.9° |
| NA2 | C2 | N1 | C8A | 176.6° | 180.0° |
| NA2 | C2 | N3 | C4 | 177.7° | 180.0° |
| NA2 | C2 | N3 | H31 | 2.2° | 0.0° |
| C2 | NA2 | HN22 | HN21 | 180.0° | 180.0° |
| C2 | N1 | C8A | N8 | 179.3° | 180.0° |
| C2 | N1 | C8A | C4A | 1.2° | 0.0° |
| N1 | C2 | N3 | C4 | 1.9° | 0.0° |
| N1 | C2 | N3 | H31 | 178.1° | 180.0° |
| N1 | C2 | NA2 | HN22 | 0.0° | 0.0° |
| N1 | C2 | NA2 | HN21 | 180.0° | 180.0° |
| C8A | N1 | C2 | N3 | 0.8° | 0.1° |
| N1 | C8A | N8 | C4A | 179.5° | 180.0° |
| N1 | C8A | N8 | C7 | 177.9° | 180.0° |
| N1 | C8A | C4A | C4 | 2.6° | 0.0° |
| N1 | C8A | C4A | N5 | 179.1° | 180.0° |
| C2 | N3 | C4 | H31 | 180.0° | 180.0° |
| C2 | N3 | C4 | C4A | 3.2° | 0.0° |
| C2 | N3 | C4 | O4 | 177.1° | 180.0° |
| N3 | C2 | NA2 | HN22 | 176.2° | 180.0° |
| N3 | C2 | NA2 | HN21 | 3.8° | 0.0° |
| C8A | N8 | C7 | C6 | 0.5° | 0.0° |
| N8 | C8A | C4A | C4 | 178.0° | 180.0° |
| N8 | C8A | C4A | N5 | 0.4° | 0.1° |
| C8A | N8 | C7 | H7 | 179.4° | 180.0° |
| C7 | N8 | C8A | C4A | 1.5° | 0.0° |
| N8 | C7 | C6 | H7 | 180.0° | 179.9° |
| N8 | C7 | C6 | N5 | 1.8° | 0.0° |
| N8 | C7 | C6 | C9 | 179.9° | 180.0° |
| C8A | C4A | C4 | N3 | 3.5° | 0.1° |
| C8A | C4A | C4 | N5 | 178.4° | 179.9° |
| C8A | C4A | C4 | O4 | 176.8° | 180.0° |
| C8A | C4A | N5 | C6 | 1.9° | 0.1° |
| N3 | C4 | C4A | O4 | 179.7° | 180.0° |
| N3 | C4 | C4A | N5 | 178.1° | 180.0° |
| C7 | C6 | N5 | C4A | 2.9° | 0.1° |
| C7 | C6 | N5 | C9 | 178.0° | 180.0° |
| C7 | C6 | C9 | N10 | 172.9° | 95.0° |
| C7 | C6 | C9 | H92 | 52.7° | 145.0° |
| C7 | C6 | C9 | H91 | 67.0° | 25.0° |
| C4 | C4A | N5 | C6 | 179.8° | 180.0° |
| C4A | C4 | N3 | H31 | 176.8° | 180.0° |
| O4 | C4 | C4A | N5 | 1.5° | 0.1° |
| O4 | C4 | N3 | H31 | 2.9° | 0.0° |
| C4A | N5 | C6 | C9 | 179.1° | 180.0° |
| N5 | C6 | C9 | N10 | 9.0° | 85.0° |
| N5 | C6 | C7 | H7 | 178.3° | 179.9° |
| N5 | C6 | C9 | H92 | 129.2° | 35.0° |
| N5 | C6 | C9 | H91 | 111.1° | 155.1° |
| C6 | C9 | N10 | C102 | 108.5° | 90.0° |
| C6 | C9 | N10 | H92 | 120.2° | 119.9° |
| C6 | C9 | N10 | H91 | 120.2° | 120.0° |
| C6 | C9 | N10 | C14 | 71.0° | 90.0° |
| C9 | C6 | C7 | H7 | 0.2° | 0.0° |
| C6 | C9 | H92 | H91 | 119.5° | 119.9° |
| C102 | N10 | C9 | C14 | 179.5° | 180.0° |
| C102 | N10 | C14 | C15 | 3.8° | 0.0° |
| C102 | N10 | C14 | C13 | 172.8° | 179.7° |
| C102 | N10 | C9 | H92 | 131.3° | 150.0° |
| C102 | N10 | C9 | H91 | 11.7° | 29.9° |
| N10 | C102 | H101 | H102 | 120.0° | 119.9° |
| N10 | C102 | H101 | H103 | 120.0° | 120.0° |
| N10 | C102 | H102 | H103 | 120.0° | 120.0° |
| C9 | N10 | C14 | C15 | 176.8° | 180.0° |
| C9 | N10 | C14 | C13 | 6.6° | 0.3° |
| N10 | C9 | H92 | H91 | 119.5° | 120.1° |
| C9 | N10 | C102 | H101 | 180.0° | 90.0° |
| C9 | N10 | C102 | H102 | 60.0° | 150.0° |
| C9 | N10 | C102 | H103 | 60.0° | 30.0° |
| N10 | C14 | C15 | C13 | 176.5° | 179.7° |
| N10 | C14 | C15 | C16 | 179.8° | 180.0° |
| N10 | C14 | C13 | C12 | 178.4° | 179.7° |
| N10 | C14 | C13 | H13 | 1.6° | 0.3° |
| N10 | C14 | C15 | H15 | 0.2° | 0.4° |
| C14 | N10 | C9 | H92 | 49.2° | 30.0° |
| C14 | N10 | C9 | H91 | 168.9° | 150.1° |
| C14 | N10 | C102 | H101 | 0.5° | 90.0° |
| C14 | N10 | C102 | H102 | 120.5° | 30.0° |
| C14 | N10 | C102 | H103 | 119.5° | 150.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 2.0° | 0.1° |
| C14 | C15 | C16 | C11 | 3.7° | 0.6° |
| C15 | C14 | C13 | H13 | 178.0° | 180.0° |
| C14 | C15 | C16 | H16 | 176.2° | 180.0° |
| C13 | C14 | C15 | C16 | 3.3° | 0.3° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.1° |
| C14 | C13 | C12 | H12 | 179.1° | 180.0° |
| C13 | C14 | C15 | H15 | 176.7° | 180.0° |
| C15 | C16 | C11 | H16 | 180.0° | 179.4° |
| C15 | C16 | C11 | C12 | 2.9° | 0.6° |
| C15 | C16 | C11 | C | 179.7° | 179.7° |
| C13 | C12 | C11 | C16 | 1.4° | 0.3° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C | 178.2° | 180.0° |
| C16 | C11 | C12 | C | 176.7° | 179.7° |
| C16 | C11 | C | N | 165.9° | 0.3° |
| C16 | C11 | C | O | 13.0° | 179.7° |
| C16 | C11 | C12 | H12 | 178.6° | 179.8° |
| C11 | C16 | C15 | H15 | 176.3° | 179.7° |
| C12 | C11 | C | N | 17.2° | 180.0° |
| C12 | C11 | C | O | 164.0° | 0.0° |
| C11 | C12 | C13 | H13 | 179.1° | 180.0° |
| C12 | C11 | C16 | H16 | 177.0° | 180.0° |
| C11 | C | N | O | 178.8° | 180.0° |
| C11 | C | N | CA | 177.7° | 180.0° |
| C11 | C | N | HN | 2.3° | 0.0° |
| C | C11 | C12 | H12 | 1.8° | 0.1° |
| C | C11 | C16 | H16 | 0.2° | 0.3° |
| C | N | CA | HN | 180.0° | 180.0° |
| C | N | CA | CB | 95.3° | 155.0° |
| C | N | CA | CT | 143.9° | 85.0° |
| C | N | CA | HA | 28.2° | 35.0° |
| O | C | N | CA | 3.5° | 0.0° |
| O | C | N | HN | 176.5° | 180.0° |
| N | CA | CT | O2 | 26.7° | 0.0° |
| N | CA | CB | CT | 110.7° | 120.1° |
| N | CA | CB | HA | 124.2° | 120.0° |
| N | CA | CB | CG | 130.0° | 65.0° |
| N | CA | CT | HA | 116.6° | 120.0° |
| N | CA | CT | O1 | 152.9° | 180.0° |
| N | CA | CB | HB1 | 108.8° | 55.0° |
| N | CA | CB | HB2 | 8.7° | 175.0° |
| O2 | CT | CA | CB | 91.6° | 120.0° |
| O2 | CT | CA | O1 | 179.7° | 180.0° |
| O2 | CT | CA | HA | 143.4° | 120.1° |
| O2 | CT | O1 | H2 | 0.0° | 0.0° |
| CA | CB | CG | HB1 | 121.2° | 120.0° |
| CA | CB | CG | HB2 | 121.2° | 120.1° |
| CB | CA | CT | HA | 125.0° | 119.9° |
| CA | CB | CG | CD | 178.4° | 180.0° |
| CB | CA | CT | O1 | 88.7° | 59.9° |
| CB | CA | N | HN | 84.7° | 25.0° |
| CA | CB | HB1 | HB2 | 116.0° | 120.0° |
| CA | CB | CG | HG1 | 58.8° | 60.0° |
| CA | CB | CG | HG2 | 62.0° | 60.0° |
| CB | CG | CD | OE1 | 21.2° | 0.0° |
| CG | CB | CA | CT | 19.2° | 175.0° |
| CB | CG | CD | OE2 | 158.7° | 180.0° |
| CB | CG | CD | HG1 | 119.6° | 120.0° |
| CB | CG | CD | HG2 | 119.6° | 120.0° |
| CG | CB | CA | HA | 105.8° | 55.0° |
| CG | CB | HB1 | HB2 | 116.1° | 119.9° |
| CB | CG | HG1 | HG2 | 121.3° | 119.9° |
| OE1 | CD | OE2 | CG | 179.9° | 180.0° |
| OE1 | CD | CG | HG1 | 140.8° | 120.0° |
| OE1 | CD | CG | HG2 | 98.3° | 119.9° |
| OE1 | CD | OE2 | H1 | 0.0° | 0.0° |
| CT | CA | N | HN | 36.1° | 95.0° |
| CT | CA | CB | HB1 | 140.5° | 65.0° |
| CT | CA | CB | HB2 | 102.0° | 54.9° |
| CA | CT | O1 | H2 | 179.7° | 180.0° |
| OE2 | CD | CG | HG1 | 39.1° | 60.0° |
| OE2 | CD | CG | HG2 | 81.8° | 60.0° |
| CD | CG | CB | HB1 | 60.4° | 60.0° |
| CD | CG | CB | HB2 | 57.2° | 59.9° |
| CD | CG | HG1 | HG2 | 121.4° | 120.0° |
| CG | CD | OE2 | H1 | 179.9° | 180.0° |
| O1 | CT | CA | HA | 36.3° | 60.0° |
| HN | N | CA | HA | 151.8° | 145.0° |
| HA | CA | CB | HB1 | 15.4° | 175.0° |
| HA | CA | CB | HB2 | 132.9° | 65.0° |
| HB1 | CB | CG | HG1 | 179.9° | 180.0° |
| HB1 | CB | CG | HG2 | 59.2° | 60.0° |
| HB2 | CB | CG | HG1 | 62.4° | 60.1° |
| HB2 | CB | CG | HG2 | 176.7° | 180.0° |
| H12 | C12 | C13 | H13 | 0.9° | 0.1° |
| H15 | C15 | C16 | H16 | 3.7° | 0.3° |
| H101 | C102 | H102 | H103 | 120.0° | 120.0° |
