TMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.33Å | Aromatic |
| N1 | C8A | sing | 1.37Å | 1.32Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | NA2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| NA2 | HN21 | sing | 0.97Å | 1.02Å | |
| NA2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.37Å | |
| C4 | C4A | sing | 1.41Å | 1.42Å | Aromatic |
| C4A | N5 | sing | 1.39Å | 1.37Å | |
| C4A | C8A | doub | 1.39Å | 1.40Å | Aromatic |
| N5 | C6 | sing | 1.49Å | 1.49Å | |
| N5 | CP1 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.51Å | 1.46Å | |
| C6 | C9 | sing | 1.54Å | 1.47Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | N8 | doub | 1.30Å | 1.46Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| N8 | C8A | sing | 1.36Å | 1.23Å | |
| C9 | N10 | sing | 1.49Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| N10 | C14 | sing | 1.39Å | 1.36Å | |
| N10 | CP1 | sing | 1.49Å | 1.49Å | |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.46Å | 1.49Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | CT | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.51Å | 1.52Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | OE1 | doub | 1.21Å | 1.25Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| OE2 | HOE2 | sing | 0.97Å | 0.95Å | |
| CT | O1 | doub | 1.21Å | 1.25Å | |
| CT | O2 | sing | 1.34Å | 1.25Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| CP1 | HCP1 | sing | 1.09Å | 1.11Å | |
| CP1 | HCP2 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 119.3° | 119.9° |
| C2 | N1 | HN1 | 108.7° | 120.0° |
| N1 | C2 | NA2 | 119.9° | 118.9° |
| N1 | C2 | N3 | 120.2° | 122.1° |
| C8A | N1 | HN1 | 108.7° | 120.1° |
| N1 | C8A | C4A | 122.7° | 118.2° |
| N1 | C8A | N8 | 115.5° | 122.1° |
| NA2 | C2 | N3 | 120.0° | 119.0° |
| C2 | NA2 | HN21 | 119.9° | 120.0° |
| C2 | NA2 | HN22 | 108.4° | 120.0° |
| C2 | N3 | C4 | 124.7° | 121.1° |
| HN21 | NA2 | HN22 | 108.5° | 120.0° |
| N3 | C4 | O4 | 121.8° | 120.5° |
| N3 | C4 | C4A | 116.0° | 119.0° |
| O4 | C4 | C4A | 122.2° | 120.5° |
| C4 | C4A | N5 | 122.9° | 124.9° |
| C4 | C4A | C8A | 117.2° | 119.6° |
| N5 | C4A | C8A | 119.4° | 115.5° |
| C4A | N5 | C6 | 119.2° | 120.4° |
| C4A | N5 | CP1 | 121.8° | 133.1° |
| C4A | C8A | N8 | 121.8° | 119.7° |
| C6 | N5 | CP1 | 101.6° | 106.3° |
| N5 | C6 | C7 | 113.9° | 106.1° |
| N5 | C6 | C9 | 108.3° | 105.7° |
| N5 | C6 | H6 | 107.0° | 110.9° |
| N5 | CP1 | N10 | 108.5° | 104.0° |
| N5 | CP1 | HCP1 | 112.6° | 110.7° |
| N5 | CP1 | HCP2 | 112.6° | 110.2° |
| C7 | C6 | C9 | 108.6° | 112.1° |
| C7 | C6 | H6 | 106.7° | 110.9° |
| C6 | C7 | N8 | 111.6° | 120.2° |
| C6 | C7 | H7 | 124.2° | 119.9° |
| C9 | C6 | H6 | 112.4° | 110.9° |
| C6 | C9 | N10 | 106.3° | 104.7° |
| C6 | C9 | H91 | 113.4° | 110.4° |
| C6 | C9 | H92 | 113.4° | 110.4° |
| N8 | C7 | H7 | 124.2° | 119.9° |
| C7 | N8 | C8A | 123.8° | 123.7° |
| N10 | C9 | H91 | 113.3° | 110.4° |
| N10 | C9 | H92 | 113.4° | 110.4° |
| C9 | N10 | C14 | 120.7° | 106.7° |
| C9 | N10 | CP1 | 99.2° | 103.4° |
| H91 | C9 | H92 | 97.1° | 110.5° |
| C14 | N10 | CP1 | 120.0° | 106.7° |
| N10 | C14 | C13 | 121.4° | 119.9° |
| N10 | C14 | C15 | 119.7° | 119.9° |
| N10 | CP1 | HCP1 | 112.6° | 110.5° |
| N10 | CP1 | HCP2 | 112.6° | 110.5° |
| C12 | C11 | C16 | 119.5° | 119.8° |
| C12 | C11 | C | 121.9° | 120.1° |
| C11 | C12 | C13 | 119.5° | 120.0° |
| C11 | C12 | H12 | 120.3° | 120.0° |
| C16 | C11 | C | 118.1° | 120.1° |
| C11 | C16 | C15 | 121.0° | 120.0° |
| C11 | C16 | H16 | 119.9° | 120.0° |
| C11 | C | O | 119.8° | 120.0° |
| C11 | C | N | 120.8° | 120.1° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C12 | C13 | C14 | 121.1° | 120.0° |
| C12 | C13 | H13 | 119.0° | 120.0° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | C15 | 118.7° | 120.2° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.4° | 120.0° |
| C16 | C15 | H15 | 119.6° | 119.9° |
| C15 | C16 | H16 | 119.1° | 120.0° |
| O | C | N | 119.5° | 119.9° |
| C | N | CA | 121.4° | 120.0° |
| C | N | HN | 114.1° | 119.9° |
| CA | N | HN | 124.5° | 120.0° |
| N | CA | CB | 112.1° | 109.5° |
| N | CA | CT | 110.3° | 109.5° |
| N | CA | HA | 107.8° | 109.5° |
| CB | CA | CT | 111.4° | 109.5° |
| CB | CA | HA | 106.5° | 109.4° |
| CA | CB | CG | 114.0° | 109.5° |
| CA | CB | HB1 | 110.6° | 109.5° |
| CA | CB | HB2 | 110.6° | 109.5° |
| CT | CA | HA | 108.5° | 109.5° |
| CA | CT | O1 | 118.2° | 120.0° |
| CA | CT | O2 | 118.6° | 120.0° |
| CG | CB | HB1 | 110.5° | 109.5° |
| CG | CB | HB2 | 110.5° | 109.4° |
| CB | CG | CD | 113.7° | 109.5° |
| CB | CG | HG1 | 110.7° | 109.5° |
| CB | CG | HG2 | 110.7° | 109.4° |
| HB1 | CB | HB2 | 99.7° | 109.5° |
| CD | CG | HG1 | 110.7° | 109.5° |
| CD | CG | HG2 | 110.6° | 109.5° |
| CG | CD | OE1 | 118.7° | 120.0° |
| CG | CD | OE2 | 118.8° | 120.1° |
| HG1 | CG | HG2 | 99.6° | 109.5° |
| OE1 | CD | OE2 | 122.5° | 120.0° |
| CD | OE2 | HOE2 | 118.8° | 120.1° |
| O1 | CT | O2 | 123.2° | 120.1° |
| CT | O2 | HO2 | 118.6° | 120.0° |
| HCP1 | CP1 | HCP2 | 97.8° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C8A | HN1 | 125.2° | 179.4° |
| N1 | C2 | NA2 | N3 | 178.7° | 179.7° |
| N1 | C2 | NA2 | HN21 | 180.0° | 179.6° |
| N1 | C2 | NA2 | HN22 | 54.8° | 0.5° |
| N1 | C2 | N3 | C4 | 0.0° | 0.5° |
| C2 | N1 | C8A | C4A | 0.1° | 0.4° |
| C2 | N1 | C8A | N8 | 179.5° | 178.0° |
| C8A | N1 | C2 | NA2 | 178.8° | 179.9° |
| C8A | N1 | C2 | N3 | 0.2° | 0.4° |
| N1 | C8A | C4A | C4 | 0.1° | 1.2° |
| N1 | C8A | C4A | N5 | 172.0° | 177.5° |
| N1 | C8A | C4A | N8 | 179.6° | 178.5° |
| N1 | C8A | N8 | C7 | 169.7° | 162.7° |
| HN1 | N1 | C2 | NA2 | 56.0° | 0.5° |
| HN1 | N1 | C2 | N3 | 125.4° | 179.9° |
| HN1 | N1 | C8A | C4A | 125.3° | 179.0° |
| HN1 | N1 | C8A | N8 | 54.3° | 2.6° |
| C2 | NA2 | HN21 | HN22 | 125.2° | 179.9° |
| NA2 | C2 | N3 | C4 | 178.7° | 179.8° |
| N3 | C2 | NA2 | HN21 | 1.3° | 0.1° |
| N3 | C2 | NA2 | HN22 | 123.9° | 179.8° |
| C2 | N3 | C4 | O4 | 180.0° | 179.6° |
| C2 | N3 | C4 | C4A | 0.1° | 0.3° |
| N3 | C4 | O4 | C4A | 179.9° | 179.9° |
| N3 | C4 | C4A | N5 | 171.6° | 177.4° |
| N3 | C4 | C4A | C8A | 0.2° | 1.2° |
| O4 | C4 | C4A | N5 | 8.3° | 2.6° |
| O4 | C4 | C4A | C8A | 179.9° | 178.8° |
| C4 | C4A | N5 | C8A | 171.6° | 178.7° |
| C4 | C4A | N5 | C6 | 172.8° | 149.8° |
| C4 | C4A | N5 | CP1 | 59.1° | 36.2° |
| C4 | C4A | C8A | N8 | 179.7° | 177.2° |
| C4A | N5 | C6 | CP1 | 136.9° | 175.4° |
| C4A | N5 | C6 | C7 | 21.2° | 43.1° |
| C4A | N5 | C6 | C9 | 142.1° | 162.3° |
| C4A | N5 | C6 | H6 | 96.5° | 77.5° |
| N5 | C4A | C8A | N8 | 7.6° | 4.0° |
| C4A | N5 | CP1 | N10 | 164.1° | 141.3° |
| C4A | N5 | CP1 | HCP1 | 70.6° | 22.6° |
| C4A | N5 | CP1 | HCP2 | 38.8° | 100.2° |
| C8A | C4A | N5 | C6 | 1.3° | 28.9° |
| C8A | C4A | N5 | CP1 | 129.3° | 145.1° |
| C4A | C8A | N8 | C7 | 10.7° | 18.9° |
| N5 | C6 | C7 | C9 | 120.7° | 114.9° |
| N5 | C6 | C7 | H6 | 117.9° | 120.6° |
| N5 | C6 | C9 | H6 | 118.0° | 120.3° |
| N5 | C6 | C7 | N8 | 35.5° | 28.3° |
| N5 | C6 | C7 | H7 | 144.4° | 151.7° |
| N5 | C6 | C9 | N10 | 19.8° | 11.9° |
| N5 | C6 | C9 | H91 | 105.4° | 130.7° |
| N5 | C6 | C9 | H92 | 145.1° | 106.9° |
| C6 | N5 | CP1 | N10 | 28.7° | 33.3° |
| C6 | N5 | CP1 | HCP1 | 153.9° | 152.0° |
| C6 | N5 | CP1 | HCP2 | 96.6° | 85.2° |
| CP1 | N5 | C6 | C7 | 115.7° | 132.4° |
| CP1 | N5 | C6 | C9 | 5.2° | 13.2° |
| CP1 | N5 | C6 | H6 | 126.6° | 107.1° |
| N5 | CP1 | N10 | C9 | 40.4° | 40.6° |
| N5 | CP1 | N10 | C14 | 93.3° | 152.9° |
| N5 | CP1 | N10 | HCP1 | 125.3° | 118.8° |
| N5 | CP1 | N10 | HCP2 | 125.3° | 118.3° |
| N5 | CP1 | HCP1 | HCP2 | 118.5° | 122.5° |
| C7 | C6 | C9 | H6 | 117.9° | 124.5° |
| C6 | C7 | N8 | H7 | 180.0° | 179.9° |
| C6 | C7 | N8 | C8A | 32.8° | 0.0° |
| C7 | C6 | C9 | N10 | 143.9° | 103.3° |
| C7 | C6 | C9 | H91 | 18.7° | 15.5° |
| C7 | C6 | C9 | H92 | 90.8° | 137.9° |
| C9 | C6 | C7 | N8 | 156.2° | 143.2° |
| C9 | C6 | C7 | H7 | 23.7° | 36.7° |
| C6 | C9 | N10 | H91 | 125.3° | 118.8° |
| C6 | C9 | N10 | H92 | 125.3° | 118.8° |
| C6 | C9 | H91 | H92 | 119.3° | 122.4° |
| C6 | C9 | N10 | C14 | 97.8° | 144.2° |
| C6 | C9 | N10 | CP1 | 35.5° | 31.9° |
| H6 | C6 | C7 | N8 | 82.3° | 92.3° |
| H6 | C6 | C7 | H7 | 97.7° | 87.8° |
| H6 | C6 | C9 | N10 | 98.2° | 132.2° |
| H6 | C6 | C9 | H91 | 136.6° | 109.0° |
| H6 | C6 | C9 | H92 | 27.1° | 13.4° |
| H7 | C7 | N8 | C8A | 147.1° | 179.9° |
| N10 | C9 | H91 | H92 | 119.3° | 122.3° |
| C9 | N10 | C14 | CP1 | 124.0° | 110.0° |
| C9 | N10 | C14 | C13 | 149.6° | 126.2° |
| C9 | N10 | C14 | C15 | 34.8° | 53.5° |
| C9 | N10 | CP1 | HCP1 | 165.7° | 159.4° |
| C9 | N10 | CP1 | HCP2 | 84.9° | 77.7° |
| H91 | C9 | N10 | C14 | 136.9° | 97.0° |
| H91 | C9 | N10 | CP1 | 89.8° | 150.7° |
| H92 | C9 | N10 | C14 | 27.5° | 25.4° |
| H92 | C9 | N10 | CP1 | 160.8° | 86.9° |
| N10 | C14 | C13 | C12 | 172.0° | 180.0° |
| N10 | C14 | C13 | C15 | 175.7° | 179.7° |
| N10 | C14 | C13 | H13 | 8.0° | 0.0° |
| N10 | C14 | C15 | C16 | 172.1° | 179.7° |
| N10 | C14 | C15 | H15 | 7.9° | 0.3° |
| C14 | N10 | CP1 | HCP1 | 31.9° | 88.2° |
| C14 | N10 | CP1 | HCP2 | 141.4° | 34.6° |
| CP1 | N10 | C14 | C13 | 25.6° | 123.8° |
| CP1 | N10 | C14 | C15 | 158.7° | 56.4° |
| N10 | CP1 | HCP1 | HCP2 | 118.5° | 122.8° |
| C12 | C11 | C16 | C | 171.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 3.9° | 0.3° |
| C12 | C11 | C16 | H16 | 176.1° | 180.0° |
| C12 | C11 | C | O | 152.6° | 0.0° |
| C12 | C11 | C | N | 26.8° | 180.0° |
| C16 | C11 | C12 | C13 | 3.8° | 0.0° |
| C16 | C11 | C12 | H12 | 176.2° | 179.9° |
| C11 | C16 | C15 | C14 | 0.1° | 0.6° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | H15 | 179.8° | 180.0° |
| C16 | C11 | C | O | 19.0° | 179.9° |
| C16 | C11 | C | N | 161.5° | 0.0° |
| C | C11 | C12 | C13 | 167.7° | 180.0° |
| C | C11 | C12 | H12 | 12.2° | 0.0° |
| C | C11 | C16 | C15 | 168.0° | 179.7° |
| C | C11 | C16 | H16 | 12.0° | 0.0° |
| C11 | C | O | N | 179.4° | 180.0° |
| C11 | C | N | CA | 167.7° | 180.0° |
| C11 | C | N | HN | 12.4° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 3.7° | 0.3° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| C13 | C14 | C15 | C16 | 3.6° | 0.5° |
| C13 | C14 | C15 | H15 | 176.4° | 180.0° |
| H13 | C13 | C14 | C15 | 176.3° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | H16 | 179.9° | 179.7° |
| H15 | C15 | C16 | H16 | 0.1° | 0.3° |
| O | C | N | CA | 12.9° | 0.0° |
| O | C | N | HN | 167.1° | 180.0° |
| C | N | CA | HN | 179.9° | 180.0° |
| C | N | CA | CB | 76.1° | 150.0° |
| C | N | CA | CT | 159.2° | 90.0° |
| C | N | CA | HA | 40.9° | 30.0° |
| N | CA | CB | CT | 124.1° | 120.0° |
| N | CA | CB | HA | 117.7° | 120.0° |
| N | CA | CT | HA | 117.9° | 120.0° |
| N | CA | CB | CG | 157.7° | 59.9° |
| N | CA | CB | HB1 | 77.1° | 180.0° |
| N | CA | CB | HB2 | 32.4° | 60.0° |
| N | CA | CT | O1 | 9.8° | 150.0° |
| N | CA | CT | O2 | 168.1° | 30.0° |
| HN | N | CA | CB | 103.9° | 30.0° |
| HN | N | CA | CT | 20.9° | 90.0° |
| HN | N | CA | HA | 139.2° | 150.0° |
| CB | CA | CT | HA | 117.0° | 119.9° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 116.4° | 120.0° |
| CA | CB | CG | CD | 172.4° | 180.0° |
| CA | CB | CG | HG1 | 47.1° | 60.0° |
| CA | CB | CG | HG2 | 62.4° | 60.0° |
| CB | CA | CT | O1 | 115.3° | 90.0° |
| CB | CA | CT | O2 | 66.8° | 90.1° |
| CT | CA | CB | CG | 78.2° | 180.0° |
| CT | CA | CB | HB1 | 47.1° | 60.0° |
| CT | CA | CB | HB2 | 156.5° | 60.0° |
| CA | CT | O1 | O2 | 177.8° | 180.0° |
| CA | CT | O2 | HO2 | 180.0° | 180.0° |
| HA | CA | CB | CG | 40.0° | 60.1° |
| HA | CA | CB | HB1 | 165.2° | 60.0° |
| HA | CA | CB | HB2 | 85.3° | 180.0° |
| HA | CA | CT | O1 | 127.7° | 30.0° |
| HA | CA | CT | O2 | 50.2° | 150.0° |
| CG | CB | HB1 | HB2 | 116.4° | 119.9° |
| CB | CG | CD | HG1 | 125.3° | 120.1° |
| CB | CG | CD | HG2 | 125.2° | 119.9° |
| CB | CG | HG1 | HG2 | 116.6° | 119.9° |
| CB | CG | CD | OE1 | 100.8° | 0.1° |
| CB | CG | CD | OE2 | 80.9° | 180.0° |
| HB1 | CB | CG | CD | 62.3° | 59.9° |
| HB1 | CB | CG | HG1 | 172.4° | 180.0° |
| HB1 | CB | CG | HG2 | 62.9° | 60.0° |
| HB2 | CB | CG | CD | 47.1° | 60.0° |
| HB2 | CB | CG | HG1 | 78.2° | 60.0° |
| HB2 | CB | CG | HG2 | 172.3° | 180.0° |
| CD | CG | HG1 | HG2 | 116.5° | 120.0° |
| CG | CD | OE1 | OE2 | 178.2° | 179.9° |
| CG | CD | OE2 | HOE2 | 180.0° | 180.0° |
| HG1 | CG | CD | OE1 | 24.4° | 120.0° |
| HG1 | CG | CD | OE2 | 153.8° | 59.9° |
| HG2 | CG | CD | OE1 | 133.9° | 120.0° |
| HG2 | CG | CD | OE2 | 44.4° | 60.1° |
| OE1 | CD | OE2 | HOE2 | 1.7° | 0.1° |
| O1 | CT | O2 | HO2 | 2.2° | 0.0° |
