IXF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAV | sing | 1.53Å | 1.55Å | |
| CAA | CAV | sing | 1.53Å | 1.55Å | |
| CAV | CAQ | sing | 1.51Å | 1.57Å | |
| CAQ | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.42Å | Aromatic |
| CAH | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| NAL | CAJ | doub | 1.31Å | 1.33Å | Aromatic |
| NAL | C4 | sing | 1.33Å | 1.39Å | Aromatic |
| CAI | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAS | sing | 1.40Å | 1.41Å | Aromatic |
| CAR | NAW | sing | 1.40Å | 1.41Å | |
| N3 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| NAD | C2 | sing | 1.38Å | 1.36Å | |
| C2 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| CAS | NAW | sing | 1.40Å | 1.38Å | |
| CAS | CAK | doub | 1.39Å | 1.44Å | Aromatic |
| NAW | CAC | sing | 1.47Å | 1.46Å | |
| C5 | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.42Å | 1.45Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.32Å | Aromatic |
| C6 | NAE | sing | 1.38Å | 1.37Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAV | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| NAE | H16 | sing | 0.97Å | 1.00Å | |
| NAE | H17 | sing | 0.97Å | 1.00Å | |
| NAD | H18 | sing | 0.97Å | 1.00Å | |
| NAD | H19 | sing | 0.97Å | 1.00Å | |
| CAJ | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAV | CAA | 111.7° | 109.5° |
| CAB | CAV | CAQ | 110.2° | 109.4° |
| CAB | CAV | H4 | 107.9° | 109.5° |
| CAV | CAB | H5 | 109.5° | 109.5° |
| CAV | CAB | H6 | 109.5° | 109.5° |
| CAV | CAB | H7 | 109.5° | 109.5° |
| CAA | CAV | CAQ | 111.5° | 109.5° |
| CAV | CAA | H1 | 109.5° | 109.5° |
| CAV | CAA | H2 | 109.5° | 109.5° |
| CAV | CAA | H3 | 109.5° | 109.5° |
| CAA | CAV | H4 | 107.8° | 109.5° |
| CAV | CAQ | CAF | 123.1° | 119.9° |
| CAV | CAQ | CAG | 119.1° | 119.9° |
| CAQ | CAV | H4 | 107.6° | 109.5° |
| CAF | CAQ | CAG | 117.8° | 120.1° |
| CAQ | CAF | CAH | 120.5° | 120.1° |
| CAQ | CAF | H10 | 119.7° | 120.0° |
| CAQ | CAG | CAI | 121.1° | 120.1° |
| CAQ | CAG | H8 | 119.5° | 119.9° |
| CAF | CAH | CAR | 123.1° | 119.9° |
| CAH | CAF | H10 | 119.8° | 120.0° |
| CAF | CAH | H11 | 118.4° | 120.0° |
| CAG | CAI | CAR | 120.8° | 119.9° |
| CAI | CAG | H8 | 119.5° | 120.0° |
| CAG | CAI | H9 | 119.6° | 120.1° |
| CAH | CAR | CAI | 116.7° | 119.9° |
| CAH | CAR | NAW | 120.4° | 120.1° |
| CAR | CAH | H11 | 118.5° | 120.1° |
| CAJ | NAL | C4 | 116.1° | 121.5° |
| NAL | CAJ | CAS | 124.4° | 121.7° |
| NAL | CAJ | H20 | 117.8° | 119.1° |
| NAL | C4 | N3 | 116.7° | 121.6° |
| NAL | C4 | C5 | 123.6° | 120.0° |
| CAI | CAR | NAW | 122.9° | 120.0° |
| CAR | CAI | H9 | 119.6° | 120.0° |
| CAJ | CAS | NAW | 120.3° | 120.2° |
| CAJ | CAS | CAK | 119.2° | 119.5° |
| CAS | CAJ | H20 | 117.8° | 119.2° |
| CAR | NAW | CAS | 117.1° | 120.0° |
| CAR | NAW | CAC | 122.2° | 120.0° |
| C4 | N3 | C2 | 121.9° | 120.6° |
| N3 | C4 | C5 | 119.6° | 118.5° |
| N3 | C2 | NAD | 117.0° | 118.6° |
| N3 | C2 | N1 | 118.8° | 122.8° |
| C4 | C5 | CAK | 119.2° | 119.4° |
| C4 | C5 | C6 | 118.1° | 118.5° |
| NAD | C2 | N1 | 124.2° | 118.6° |
| C2 | NAD | H18 | 109.5° | 120.0° |
| C2 | NAD | H19 | 109.5° | 120.1° |
| C2 | N1 | C6 | 124.7° | 121.3° |
| NAW | CAS | CAK | 120.6° | 120.2° |
| CAS | NAW | CAC | 118.9° | 120.0° |
| CAS | CAK | C5 | 117.4° | 117.9° |
| CAS | CAK | H15 | 121.3° | 121.1° |
| NAW | CAC | H12 | 109.5° | 109.5° |
| NAW | CAC | H13 | 109.5° | 109.5° |
| NAW | CAC | H14 | 109.5° | 109.5° |
| CAK | C5 | C6 | 122.6° | 122.1° |
| C5 | CAK | H15 | 121.3° | 121.0° |
| C5 | C6 | N1 | 116.8° | 118.3° |
| C5 | C6 | NAE | 122.3° | 120.8° |
| N1 | C6 | NAE | 120.7° | 120.9° |
| C6 | NAE | H16 | 109.5° | 120.0° |
| C6 | NAE | H17 | 109.4° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H7 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.5° | 109.4° |
| H12 | CAC | H13 | 109.5° | 109.4° |
| H12 | CAC | H14 | 109.5° | 109.4° |
| H13 | CAC | H14 | 109.5° | 109.5° |
| H16 | NAE | H17 | 109.5° | 120.0° |
| H18 | NAD | H19 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAV | CAA | CAQ | 123.8° | 119.9° |
| CAB | CAV | CAA | H4 | 118.4° | 120.1° |
| CAB | CAV | CAQ | H4 | 117.4° | 120.0° |
| CAB | CAV | CAQ | CAF | 84.3° | 120.1° |
| CAB | CAV | CAQ | CAG | 94.7° | 60.3° |
| CAB | CAV | CAA | H1 | 180.0° | 59.9° |
| CAB | CAV | CAA | H2 | 60.0° | 60.0° |
| CAB | CAV | CAA | H3 | 60.0° | 180.0° |
| CAV | CAB | H5 | H6 | 120.0° | 120.0° |
| CAV | CAB | H5 | H7 | 120.0° | 120.1° |
| CAV | CAB | H6 | H7 | 120.0° | 120.0° |
| CAA | CAV | CAQ | H4 | 118.0° | 120.0° |
| CAA | CAV | CAQ | CAF | 40.4° | 120.0° |
| CAA | CAV | CAQ | CAG | 140.6° | 59.7° |
| CAV | CAA | H1 | H2 | 120.0° | 120.0° |
| CAV | CAA | H1 | H3 | 120.0° | 120.1° |
| CAV | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAV | CAB | H5 | 180.0° | 60.0° |
| CAA | CAV | CAB | H6 | 60.0° | 180.0° |
| CAA | CAV | CAB | H7 | 60.0° | 60.1° |
| CAV | CAQ | CAF | CAG | 179.0° | 179.7° |
| CAV | CAQ | CAF | CAH | 179.9° | 179.9° |
| CAV | CAQ | CAG | CAI | 179.8° | 180.0° |
| CAQ | CAV | CAA | H1 | 56.2° | 60.0° |
| CAQ | CAV | CAA | H2 | 176.2° | 180.0° |
| CAQ | CAV | CAA | H3 | 63.8° | 60.1° |
| CAQ | CAV | CAB | H5 | 55.5° | 60.0° |
| CAQ | CAV | CAB | H6 | 64.5° | 60.0° |
| CAQ | CAV | CAB | H7 | 175.5° | 179.9° |
| CAV | CAQ | CAG | H8 | 0.2° | 0.0° |
| CAV | CAQ | CAF | H10 | 0.1° | 0.0° |
| CAQ | CAF | CAH | H10 | 180.0° | 179.9° |
| CAF | CAQ | CAG | CAI | 1.2° | 0.3° |
| CAQ | CAF | CAH | CAR | 1.2° | 0.1° |
| CAF | CAQ | CAV | H4 | 158.4° | 0.0° |
| CAF | CAQ | CAG | H8 | 178.8° | 179.7° |
| CAQ | CAF | CAH | H11 | 178.8° | 180.0° |
| CAG | CAQ | CAF | CAH | 1.0° | 0.2° |
| CAQ | CAG | CAI | H8 | 180.0° | 180.0° |
| CAQ | CAG | CAI | CAR | 1.4° | 0.1° |
| CAG | CAQ | CAV | H4 | 22.6° | 179.7° |
| CAQ | CAG | CAI | H9 | 178.6° | 180.0° |
| CAG | CAQ | CAF | H10 | 178.9° | 179.7° |
| CAF | CAH | CAR | H11 | 180.0° | 180.0° |
| CAF | CAH | CAR | CAI | 1.4° | 0.3° |
| CAF | CAH | CAR | NAW | 177.3° | 179.9° |
| CAG | CAI | CAR | CAH | 1.5° | 0.3° |
| CAG | CAI | CAR | H9 | 180.0° | 180.0° |
| CAG | CAI | CAR | NAW | 177.2° | 180.0° |
| CAH | CAR | CAI | NAW | 178.7° | 179.7° |
| CAH | CAR | NAW | CAS | 49.0° | 90.0° |
| CAH | CAR | NAW | CAC | 115.5° | 89.9° |
| CAH | CAR | CAI | H9 | 178.5° | 179.7° |
| CAR | CAH | CAF | H10 | 178.8° | 180.0° |
| NAL | CAJ | CAS | H20 | 180.0° | 179.5° |
| CAJ | NAL | C4 | N3 | 179.1° | 179.8° |
| CAJ | NAL | C4 | C5 | 1.8° | 0.3° |
| NAL | CAJ | CAS | NAW | 177.7° | 179.7° |
| NAL | CAJ | CAS | CAK | 0.8° | 0.5° |
| C4 | NAL | CAJ | CAS | 0.1° | 0.5° |
| NAL | C4 | N3 | C5 | 177.4° | 179.9° |
| NAL | C4 | N3 | C2 | 177.7° | 179.9° |
| NAL | C4 | C5 | CAK | 2.7° | 0.1° |
| NAL | C4 | C5 | C6 | 179.3° | 180.0° |
| C4 | NAL | CAJ | H20 | 179.9° | 180.0° |
| CAI | CAR | NAW | CAS | 129.6° | 90.2° |
| CAI | CAR | NAW | CAC | 65.9° | 89.8° |
| CAR | CAI | CAG | H8 | 178.6° | 180.0° |
| CAI | CAR | CAH | H11 | 178.6° | 179.7° |
| CAJ | CAS | NAW | CAR | 37.4° | 5.3° |
| CAJ | CAS | NAW | CAK | 178.5° | 179.8° |
| CAJ | CAS | NAW | CAC | 157.5° | 174.8° |
| CAJ | CAS | CAK | C5 | 0.1° | 0.2° |
| CAJ | CAS | CAK | H15 | 179.9° | 179.8° |
| CAR | NAW | CAS | CAC | 165.0° | 180.0° |
| CAR | NAW | CAS | CAK | 141.1° | 174.5° |
| NAW | CAR | CAI | H9 | 2.8° | 0.0° |
| NAW | CAR | CAH | H11 | 2.6° | 0.0° |
| CAR | NAW | CAC | H12 | 180.0° | 90.0° |
| CAR | NAW | CAC | H13 | 60.0° | 150.0° |
| CAR | NAW | CAC | H14 | 60.0° | 30.0° |
| C4 | N3 | C2 | NAD | 177.5° | 180.0° |
| C4 | N3 | C2 | N1 | 4.5° | 0.1° |
| N3 | C4 | C5 | CAK | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 2.0° | 0.1° |
| C2 | N3 | C4 | C5 | 4.9° | 0.0° |
| N3 | C2 | NAD | N1 | 177.9° | 179.9° |
| N3 | C2 | N1 | C6 | 1.1° | 0.0° |
| N3 | C2 | NAD | H18 | 0.0° | 180.0° |
| N3 | C2 | NAD | H19 | 120.0° | 0.1° |
| C4 | C5 | CAK | CAS | 1.6° | 0.0° |
| C4 | C5 | CAK | C6 | 178.0° | 179.9° |
| C4 | C5 | C6 | N1 | 1.1° | 0.1° |
| C4 | C5 | C6 | NAE | 176.9° | 179.9° |
| C4 | C5 | CAK | H15 | 178.4° | 180.0° |
| NAD | C2 | N1 | C6 | 179.0° | 179.9° |
| C2 | NAD | H18 | H19 | 120.0° | 179.9° |
| C2 | N1 | C6 | C5 | 1.6° | 0.1° |
| C2 | N1 | C6 | NAE | 177.5° | 180.0° |
| N1 | C2 | NAD | H18 | 177.9° | 0.1° |
| N1 | C2 | NAD | H19 | 57.9° | 180.0° |
| NAW | CAS | CAK | C5 | 178.6° | 180.0° |
| CAS | NAW | CAC | H12 | 15.8° | 90.0° |
| CAS | NAW | CAC | H13 | 135.8° | 30.0° |
| CAS | NAW | CAC | H14 | 104.2° | 150.0° |
| NAW | CAS | CAK | H15 | 1.4° | 0.0° |
| NAW | CAS | CAJ | H20 | 2.3° | 0.2° |
| CAK | CAS | NAW | CAC | 24.0° | 5.5° |
| CAS | CAK | C5 | H15 | 180.0° | 180.0° |
| CAS | CAK | C5 | C6 | 179.6° | 180.0° |
| CAK | CAS | CAJ | H20 | 179.2° | 180.0° |
| NAW | CAC | H12 | H13 | 120.0° | 120.0° |
| NAW | CAC | H12 | H14 | 120.0° | 120.0° |
| NAW | CAC | H13 | H14 | 120.0° | 120.0° |
| CAK | C5 | C6 | N1 | 176.9° | 180.0° |
| CAK | C5 | C6 | NAE | 1.1° | 0.0° |
| C5 | C6 | N1 | NAE | 175.9° | 179.9° |
| C6 | C5 | CAK | H15 | 0.4° | 0.0° |
| C5 | C6 | NAE | H16 | 175.7° | 0.0° |
| C5 | C6 | NAE | H17 | 64.3° | 180.0° |
| N1 | C6 | NAE | H16 | 0.0° | 180.0° |
| N1 | C6 | NAE | H17 | 120.0° | 0.0° |
| C6 | NAE | H16 | H17 | 120.0° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAV | H4 | 61.7° | 180.0° |
| H2 | CAA | CAV | H4 | 58.3° | 60.0° |
| H3 | CAA | CAV | H4 | 178.3° | 59.9° |
| H4 | CAV | CAB | H5 | 61.7° | 180.0° |
| H4 | CAV | CAB | H6 | 178.3° | 60.0° |
| H4 | CAV | CAB | H7 | 58.3° | 59.9° |
| H5 | CAB | H6 | H7 | 120.0° | 120.0° |
| H8 | CAG | CAI | H9 | 1.4° | 0.0° |
| H10 | CAF | CAH | H11 | 1.2° | 0.0° |
| H12 | CAC | H13 | H14 | 120.0° | 119.9° |
