FV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAB | sing | 1.47Å | 1.54Å | |
| NAA | C4 | sing | 1.38Å | 1.36Å | |
| CAB | PBF | sing | 1.82Å | 1.99Å | |
| CAB | PBB | sing | 1.82Å | 1.83Å | |
| OBG | PBF | doub | 1.48Å | 1.51Å | |
| OBE | PBB | doub | 1.48Å | 1.70Å | |
| OBH | PBF | sing | 1.61Å | 1.66Å | |
| OBD | PBB | sing | 1.61Å | 1.66Å | |
| PBF | OBI | sing | 1.61Å | 1.66Å | |
| CAI | CAJ | doub | 1.32Å | 1.36Å | Aromatic |
| CAI | C5 | sing | 1.45Å | 1.36Å | Aromatic |
| PBB | OBC | sing | 1.61Å | 1.51Å | |
| C4 | C5 | doub | 1.42Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| CAJ | SAK | sing | 1.75Å | 1.71Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | SAK | sing | 1.76Å | 1.77Å | Aromatic |
| C6 | N1 | doub | 1.34Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | CAL | sing | 1.48Å | 1.37Å | |
| CAM | CAL | doub | 1.39Å | 1.41Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAQ | sing | 1.39Å | 1.36Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.41Å | Aromatic |
| OAU | CAS | doub | 1.22Å | 1.24Å | |
| CAP | NAR | sing | 1.40Å | 1.32Å | |
| CAS | NAR | sing | 1.35Å | 1.37Å | |
| CAS | CAT | sing | 1.48Å | 1.38Å | |
| CAZ | CAT | doub | 1.40Å | 1.39Å | Aromatic |
| CAZ | CAY | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAV | sing | 1.40Å | 1.39Å | Aromatic |
| CAY | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.38Å | Aromatic |
| CAX | CAW | sing | 1.39Å | 1.38Å | Aromatic |
| CAX | FBA | sing | 1.35Å | 1.22Å | |
| OBD | H1 | sing | 0.97Å | 0.95Å | |
| OBC | H2 | sing | 0.97Å | 0.95Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| OBH | H4 | sing | 0.97Å | 0.95Å | |
| OBI | H5 | sing | 0.97Å | 0.95Å | |
| NAA | H6 | sing | 0.97Å | 1.00Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAQ | H9 | sing | 1.08Å | 1.08Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| CAO | H12 | sing | 1.08Å | 1.08Å | |
| NAR | H13 | sing | 0.97Å | 1.00Å | |
| CAV | H14 | sing | 1.08Å | 1.08Å | |
| CAW | H15 | sing | 1.08Å | 1.08Å | |
| CAY | H16 | sing | 1.08Å | 1.08Å | |
| CAZ | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | NAA | C4 | 126.1° | 120.0° |
| NAA | CAB | PBF | 122.7° | 109.5° |
| NAA | CAB | PBB | 109.0° | 109.5° |
| NAA | CAB | H3 | 108.6° | 109.5° |
| CAB | NAA | H6 | 105.2° | 119.9° |
| NAA | C4 | C5 | 123.5° | 120.4° |
| NAA | C4 | N3 | 117.2° | 120.5° |
| C4 | NAA | H6 | 105.2° | 120.0° |
| PBF | CAB | PBB | 105.4° | 109.5° |
| CAB | PBF | OBG | 111.6° | 109.4° |
| CAB | PBF | OBH | 106.6° | 109.5° |
| CAB | PBF | OBI | 110.2° | 109.5° |
| PBF | CAB | H3 | 104.3° | 109.5° |
| CAB | PBB | OBE | 107.5° | 109.5° |
| CAB | PBB | OBD | 99.2° | 109.5° |
| CAB | PBB | OBC | 113.6° | 109.5° |
| PBB | CAB | H3 | 105.6° | 109.5° |
| OBG | PBF | OBH | 112.5° | 109.5° |
| OBG | PBF | OBI | 108.3° | 109.5° |
| OBE | PBB | OBD | 107.9° | 109.5° |
| OBE | PBB | OBC | 113.8° | 109.4° |
| OBH | PBF | OBI | 107.6° | 109.5° |
| PBF | OBH | H4 | 109.5° | 114.0° |
| OBD | PBB | OBC | 113.7° | 109.5° |
| PBB | OBD | H1 | 109.5° | 114.0° |
| PBF | OBI | H5 | 109.5° | 114.0° |
| CAJ | CAI | C5 | 116.5° | 114.9° |
| CAI | CAJ | SAK | 109.9° | 111.4° |
| CAJ | CAI | H7 | 121.7° | 122.6° |
| CAI | CAJ | H8 | 125.1° | 124.3° |
| CAI | C5 | C4 | 129.2° | 130.4° |
| CAI | C5 | C6 | 112.8° | 112.0° |
| C5 | CAI | H7 | 121.7° | 122.6° |
| PBB | OBC | H2 | 109.5° | 114.1° |
| C5 | C4 | N3 | 119.3° | 119.1° |
| C4 | C5 | C6 | 118.0° | 117.7° |
| C4 | N3 | C2 | 122.4° | 121.1° |
| CAJ | SAK | C6 | 91.9° | 92.2° |
| SAK | CAJ | H8 | 125.1° | 124.4° |
| C5 | C6 | SAK | 108.9° | 109.6° |
| C5 | C6 | N1 | 121.4° | 119.2° |
| N3 | C2 | N1 | 121.3° | 121.9° |
| N3 | C2 | CAL | 110.6° | 119.0° |
| SAK | C6 | N1 | 129.7° | 131.2° |
| C6 | N1 | C2 | 117.4° | 121.0° |
| N1 | C2 | CAL | 127.8° | 119.0° |
| C2 | CAL | CAM | 126.8° | 120.1° |
| C2 | CAL | CAQ | 112.0° | 120.1° |
| CAL | CAM | CAN | 119.8° | 120.0° |
| CAM | CAL | CAQ | 120.9° | 119.8° |
| CAL | CAM | H10 | 120.1° | 119.9° |
| CAM | CAN | CAO | 118.9° | 120.2° |
| CAN | CAM | H10 | 120.1° | 120.0° |
| CAM | CAN | H11 | 120.6° | 119.8° |
| CAL | CAQ | CAP | 119.8° | 119.8° |
| CAL | CAQ | H9 | 120.1° | 120.1° |
| CAN | CAO | CAP | 119.7° | 120.2° |
| CAO | CAN | H11 | 120.5° | 120.0° |
| CAN | CAO | H12 | 120.2° | 119.9° |
| CAQ | CAP | CAO | 120.8° | 120.0° |
| CAQ | CAP | NAR | 109.2° | 120.0° |
| CAP | CAQ | H9 | 120.1° | 120.1° |
| CAO | CAP | NAR | 129.8° | 120.0° |
| CAP | CAO | H12 | 120.1° | 119.9° |
| OAU | CAS | NAR | 126.4° | 120.0° |
| OAU | CAS | CAT | 121.8° | 120.0° |
| CAP | NAR | CAS | 121.9° | 120.0° |
| CAP | NAR | H13 | 119.0° | 120.0° |
| NAR | CAS | CAT | 111.4° | 120.0° |
| CAS | NAR | H13 | 119.0° | 120.0° |
| CAS | CAT | CAZ | 118.6° | 120.1° |
| CAS | CAT | CAV | 121.7° | 120.1° |
| CAT | CAZ | CAY | 119.5° | 119.9° |
| CAZ | CAT | CAV | 119.5° | 119.8° |
| CAT | CAZ | H17 | 120.3° | 120.1° |
| CAZ | CAY | CAX | 120.1° | 120.1° |
| CAZ | CAY | H16 | 119.9° | 119.9° |
| CAY | CAZ | H17 | 120.3° | 120.0° |
| CAT | CAV | CAW | 121.3° | 119.8° |
| CAT | CAV | H14 | 119.3° | 120.1° |
| CAY | CAX | CAW | 120.3° | 120.3° |
| CAY | CAX | FBA | 122.3° | 119.8° |
| CAX | CAY | H16 | 119.9° | 120.0° |
| CAV | CAW | CAX | 119.2° | 120.1° |
| CAW | CAV | H14 | 119.3° | 120.1° |
| CAV | CAW | H15 | 120.4° | 119.9° |
| CAW | CAX | FBA | 117.3° | 119.9° |
| CAX | CAW | H15 | 120.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | NAA | C4 | H6 | 122.3° | 179.9° |
| NAA | CAB | PBF | PBB | 125.3° | 120.1° |
| NAA | CAB | PBF | H3 | 123.7° | 120.0° |
| NAA | CAB | PBB | H3 | 116.6° | 120.0° |
| NAA | CAB | PBF | OBG | 159.4° | 59.9° |
| NAA | CAB | PBB | OBE | 148.5° | 59.9° |
| NAA | CAB | PBF | OBH | 36.1° | 179.9° |
| NAA | CAB | PBB | OBD | 36.3° | 180.0° |
| NAA | CAB | PBF | OBI | 80.3° | 60.0° |
| NAA | CAB | PBB | OBC | 84.6° | 60.0° |
| CAB | NAA | C4 | C5 | 134.7° | 180.0° |
| CAB | NAA | C4 | N3 | 47.1° | 0.3° |
| C4 | NAA | CAB | PBF | 55.0° | 75.0° |
| C4 | NAA | CAB | PBB | 68.6° | 165.0° |
| NAA | C4 | C5 | CAI | 1.0° | 0.0° |
| NAA | C4 | C5 | N3 | 178.1° | 179.7° |
| NAA | C4 | C5 | C6 | 179.5° | 179.9° |
| NAA | C4 | N3 | C2 | 177.5° | 179.9° |
| C4 | NAA | CAB | H3 | 176.8° | 44.9° |
| PBF | CAB | PBB | H3 | 110.1° | 120.0° |
| CAB | PBF | OBG | OBH | 119.8° | 120.0° |
| CAB | PBF | OBG | OBI | 121.4° | 120.0° |
| PBF | CAB | PBB | OBE | 78.1° | 60.1° |
| CAB | PBF | OBH | OBI | 118.2° | 120.0° |
| PBF | CAB | PBB | OBD | 169.7° | 60.0° |
| PBF | CAB | PBB | OBC | 48.7° | 180.0° |
| CAB | PBF | OBH | H4 | 122.6° | 60.1° |
| CAB | PBF | OBI | H5 | 122.3° | 180.0° |
| PBF | CAB | NAA | H6 | 177.2° | 105.0° |
| PBB | CAB | PBF | OBG | 75.4° | 180.0° |
| CAB | PBB | OBE | OBD | 106.2° | 120.0° |
| CAB | PBB | OBE | OBC | 126.7° | 120.0° |
| PBB | CAB | PBF | OBH | 161.4° | 60.0° |
| CAB | PBB | OBD | OBC | 120.9° | 120.0° |
| PBB | CAB | PBF | OBI | 45.0° | 60.0° |
| CAB | PBB | OBD | H1 | 111.9° | 180.0° |
| CAB | PBB | OBC | H2 | 123.5° | 60.0° |
| PBB | CAB | NAA | H6 | 53.6° | 15.0° |
| OBG | PBF | OBH | OBI | 119.2° | 120.0° |
| OBG | PBF | CAB | H3 | 35.6° | 60.0° |
| OBG | PBF | OBH | H4 | 0.0° | 180.0° |
| OBG | PBF | OBI | H5 | 0.0° | 60.0° |
| OBE | PBB | OBD | OBC | 127.2° | 120.0° |
| OBE | PBB | OBD | H1 | 0.0° | 60.0° |
| OBE | PBB | OBC | H2 | 0.0° | 180.0° |
| OBE | PBB | CAB | H3 | 32.0° | 180.0° |
| OBH | PBF | CAB | H3 | 87.6° | 60.0° |
| OBH | PBF | OBI | H5 | 121.9° | 60.0° |
| OBD | PBB | OBC | H2 | 124.1° | 60.0° |
| OBD | PBB | CAB | H3 | 80.3° | 60.0° |
| OBI | PBF | CAB | H3 | 156.0° | 180.0° |
| OBI | PBF | OBH | H4 | 119.2° | 60.0° |
| CAJ | CAI | C5 | H7 | 180.0° | 180.0° |
| CAJ | CAI | C5 | C4 | 179.0° | 180.0° |
| CAI | CAJ | SAK | H8 | 180.0° | 179.9° |
| CAJ | CAI | C5 | C6 | 0.5° | 0.1° |
| CAI | CAJ | SAK | C6 | 0.1° | 0.0° |
| CAI | C5 | C4 | C6 | 179.5° | 179.9° |
| CAI | C5 | C4 | N3 | 179.1° | 179.7° |
| C5 | CAI | CAJ | SAK | 0.2° | 0.0° |
| CAI | C5 | C6 | SAK | 0.6° | 0.1° |
| CAI | C5 | C6 | N1 | 179.7° | 180.0° |
| C5 | CAI | CAJ | H8 | 179.8° | 180.0° |
| OBC | PBB | OBD | H1 | 127.2° | 59.9° |
| OBC | PBB | CAB | H3 | 158.8° | 60.0° |
| C5 | C4 | N3 | C2 | 0.7° | 0.3° |
| C4 | C5 | C6 | SAK | 179.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.7° | 0.1° |
| C5 | C4 | NAA | H6 | 12.5° | 0.0° |
| C4 | C5 | CAI | H7 | 1.0° | 0.0° |
| N3 | C4 | C5 | C6 | 1.4° | 0.2° |
| C4 | N3 | C2 | N1 | 3.6° | 0.0° |
| C4 | N3 | C2 | CAL | 178.6° | 180.0° |
| N3 | C4 | NAA | H6 | 169.3° | 179.7° |
| CAJ | SAK | C6 | C5 | 0.4° | 0.0° |
| CAJ | SAK | C6 | N1 | 179.9° | 179.9° |
| SAK | CAJ | CAI | H7 | 179.8° | 180.0° |
| C5 | C6 | SAK | N1 | 179.7° | 179.9° |
| C5 | C6 | N1 | C2 | 2.0° | 0.3° |
| C6 | C5 | CAI | H7 | 179.5° | 180.0° |
| N3 | C2 | N1 | C6 | 4.2° | 0.3° |
| N3 | C2 | N1 | CAL | 174.0° | 180.0° |
| N3 | C2 | CAL | CAM | 74.9° | 0.3° |
| N3 | C2 | CAL | CAQ | 98.7° | 180.0° |
| SAK | C6 | N1 | C2 | 178.4° | 179.8° |
| C6 | SAK | CAJ | H8 | 179.8° | 179.9° |
| C6 | N1 | C2 | CAL | 178.2° | 179.7° |
| N1 | C2 | CAL | CAM | 110.6° | 179.7° |
| N1 | C2 | CAL | CAQ | 75.8° | 0.0° |
| C2 | CAL | CAM | CAQ | 173.1° | 179.7° |
| C2 | CAL | CAM | CAN | 176.3° | 180.0° |
| C2 | CAL | CAQ | CAP | 175.5° | 180.0° |
| C2 | CAL | CAQ | H9 | 4.5° | 0.1° |
| C2 | CAL | CAM | H10 | 3.6° | 0.0° |
| CAL | CAM | CAN | H10 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAO | 1.7° | 0.0° |
| CAM | CAL | CAQ | CAP | 1.5° | 0.3° |
| CAM | CAL | CAQ | H9 | 178.5° | 179.8° |
| CAL | CAM | CAN | H11 | 178.4° | 179.9° |
| CAN | CAM | CAL | CAQ | 3.2° | 0.3° |
| CAM | CAN | CAO | H11 | 180.0° | 179.9° |
| CAM | CAN | CAO | CAP | 1.5° | 0.3° |
| CAM | CAN | CAO | H12 | 178.5° | 180.0° |
| CAL | CAQ | CAP | H9 | 180.0° | 179.9° |
| CAL | CAQ | CAP | CAO | 1.8° | 0.0° |
| CAL | CAQ | CAP | NAR | 176.4° | 180.0° |
| CAQ | CAL | CAM | H10 | 176.8° | 179.7° |
| CAN | CAO | CAP | CAQ | 3.4° | 0.3° |
| CAN | CAO | CAP | H12 | 180.0° | 179.7° |
| CAN | CAO | CAP | NAR | 176.7° | 179.7° |
| CAO | CAN | CAM | H10 | 178.3° | 180.0° |
| CAQ | CAP | CAO | NAR | 173.3° | 180.0° |
| CAQ | CAP | NAR | CAS | 66.0° | 33.4° |
| CAQ | CAP | CAO | H12 | 176.6° | 180.0° |
| CAQ | CAP | NAR | H13 | 114.0° | 146.6° |
| CAO | CAP | NAR | CAS | 120.1° | 146.6° |
| CAO | CAP | CAQ | H9 | 178.2° | 180.0° |
| CAP | CAO | CAN | H11 | 178.4° | 179.7° |
| CAO | CAP | NAR | H13 | 59.9° | 33.4° |
| OAU | CAS | NAR | CAP | 7.9° | 5.3° |
| OAU | CAS | NAR | CAT | 172.7° | 179.9° |
| OAU | CAS | CAT | CAZ | 48.4° | 179.7° |
| OAU | CAS | CAT | CAV | 137.1° | 0.1° |
| OAU | CAS | NAR | H13 | 172.1° | 174.7° |
| CAP | NAR | CAS | H13 | 180.0° | 180.0° |
| CAP | NAR | CAS | CAT | 164.9° | 174.7° |
| NAR | CAP | CAQ | H9 | 3.6° | 0.1° |
| NAR | CAP | CAO | H12 | 3.3° | 0.0° |
| NAR | CAS | CAT | CAZ | 124.7° | 0.4° |
| NAR | CAS | CAT | CAV | 49.7° | 180.0° |
| CAS | CAT | CAZ | CAV | 174.5° | 179.6° |
| CAS | CAT | CAZ | CAY | 177.0° | 179.8° |
| CAS | CAT | CAV | CAW | 176.0° | 179.9° |
| CAT | CAS | NAR | H13 | 15.1° | 5.3° |
| CAS | CAT | CAV | H14 | 4.0° | 0.1° |
| CAS | CAT | CAZ | H17 | 3.0° | 0.1° |
| CAT | CAZ | CAY | H17 | 180.0° | 179.7° |
| CAT | CAZ | CAY | CAX | 1.8° | 0.5° |
| CAZ | CAT | CAV | CAW | 1.7° | 0.3° |
| CAZ | CAT | CAV | H14 | 178.3° | 179.7° |
| CAT | CAZ | CAY | H16 | 178.2° | 179.7° |
| CAY | CAZ | CAT | CAV | 2.5° | 0.5° |
| CAZ | CAY | CAX | H16 | 180.0° | 179.8° |
| CAZ | CAY | CAX | CAW | 0.2° | 0.2° |
| CAZ | CAY | CAX | FBA | 179.5° | 179.7° |
| CAT | CAV | CAW | H14 | 180.0° | 180.0° |
| CAT | CAV | CAW | CAX | 0.2° | 0.0° |
| CAT | CAV | CAW | H15 | 179.9° | 180.0° |
| CAV | CAT | CAZ | H17 | 177.6° | 179.7° |
| CAY | CAX | CAW | CAV | 0.6° | 0.1° |
| CAY | CAX | CAW | FBA | 179.3° | 179.9° |
| CAY | CAX | CAW | H15 | 179.4° | 180.0° |
| CAX | CAY | CAZ | H17 | 178.3° | 179.8° |
| CAV | CAW | CAX | H15 | 180.0° | 180.0° |
| CAV | CAW | CAX | FBA | 178.8° | 180.0° |
| CAX | CAW | CAV | H14 | 179.8° | 180.0° |
| CAW | CAX | CAY | H16 | 179.7° | 180.0° |
| FBA | CAX | CAW | H15 | 1.3° | 0.0° |
| FBA | CAX | CAY | H16 | 0.5° | 0.0° |
| H3 | CAB | NAA | H6 | 61.0° | 135.0° |
| H7 | CAI | CAJ | H8 | 0.2° | 0.1° |
| H10 | CAM | CAN | H11 | 1.7° | 0.1° |
| H11 | CAN | CAO | H12 | 1.6° | 0.1° |
| H14 | CAV | CAW | H15 | 0.1° | 0.0° |
| H16 | CAY | CAZ | H17 | 1.7° | 0.0° |
