VP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAX | CAU | sing | 1.39Å | 1.33Å | |
| CAU | NAV | doub | 1.32Å | 1.37Å | Aromatic |
| CAU | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| FAY | CAT | sing | 1.35Å | 1.42Å | |
| NAV | CAW | sing | 1.32Å | 1.43Å | Aromatic |
| CAT | CAR | doub | 1.39Å | 1.42Å | Aromatic |
| CAW | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | CAS | sing | 1.50Å | 1.41Å | |
| CAR | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | NAM | sing | 1.46Å | 1.51Å | |
| CAQ | CAP | sing | 1.51Å | 1.42Å | |
| CAP | CAO | sing | 1.53Å | 1.51Å | |
| OAL | CAK | doub | 1.22Å | 1.26Å | |
| NAM | CAK | sing | 1.35Å | 1.39Å | |
| NAM | CAN | sing | 1.46Å | 1.49Å | |
| CAK | CAB | sing | 1.47Å | 1.41Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAB | NAC | sing | 1.38Å | 1.36Å | Aromatic |
| CAB | CAA | doub | 1.36Å | 1.44Å | Aromatic |
| NAC | CAD | sing | 1.37Å | 1.36Å | Aromatic |
| CAA | CAE | sing | 1.42Å | 1.38Å | Aromatic |
| CAD | CAE | doub | 1.41Å | 1.39Å | Aromatic |
| CAD | CAI | sing | 1.39Å | 1.34Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.41Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAG | doub | 1.36Å | 1.40Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.43Å | Aromatic |
| CAH | CAJ | sing | 1.51Å | 1.46Å | |
| CBB | CAJ | sing | 1.53Å | 1.50Å | |
| CAJ | CBA | sing | 1.53Å | 1.58Å | |
| CAJ | OAZ | sing | 1.43Å | 1.47Å | |
| CAN | H1 | sing | 1.09Å | 1.10Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H3 | sing | 1.09Å | 1.10Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAW | H7 | sing | 1.08Å | 1.08Å | |
| NAX | H8 | sing | 0.97Å | 1.00Å | |
| NAX | H9 | sing | 0.97Å | 1.00Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| CBA | H15 | sing | 1.09Å | 1.10Å | |
| CBA | H16 | sing | 1.09Å | 1.10Å | |
| CBA | H17 | sing | 1.09Å | 1.10Å | |
| CBB | H18 | sing | 1.09Å | 1.10Å | |
| CBB | H19 | sing | 1.09Å | 1.10Å | |
| CBB | H20 | sing | 1.09Å | 1.10Å | |
| OAZ | H21 | sing | 0.97Å | 0.95Å | |
| CAI | H22 | sing | 1.08Å | 1.08Å | |
| NAC | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAX | CAU | NAV | 122.1° | 120.0° |
| NAX | CAU | CAT | 117.3° | 119.9° |
| CAU | NAX | H8 | 109.5° | 120.0° |
| CAU | NAX | H9 | 109.5° | 120.1° |
| NAV | CAU | CAT | 120.6° | 120.1° |
| CAU | NAV | CAW | 119.7° | 121.6° |
| CAU | CAT | FAY | 121.8° | 120.3° |
| CAU | CAT | CAR | 120.6° | 119.4° |
| FAY | CAT | CAR | 117.5° | 120.3° |
| NAV | CAW | CAQ | 120.1° | 121.5° |
| NAV | CAW | H7 | 119.9° | 119.2° |
| CAT | CAR | CAS | 114.8° | 118.2° |
| CAT | CAR | CAQ | 119.4° | 118.8° |
| CAW | CAQ | CAR | 119.4° | 118.5° |
| CAW | CAQ | CAP | 115.9° | 117.2° |
| CAQ | CAW | H7 | 119.9° | 119.2° |
| CAS | CAR | CAQ | 125.7° | 122.9° |
| CAR | CAS | NAM | 109.5° | 111.6° |
| CAR | CAS | H10 | 109.4° | 109.1° |
| CAR | CAS | H11 | 109.5° | 109.0° |
| CAR | CAQ | CAP | 124.7° | 124.3° |
| CAS | NAM | CAK | 114.9° | 121.2° |
| CAS | NAM | CAN | 117.4° | 117.5° |
| NAM | CAS | H10 | 109.5° | 109.1° |
| NAM | CAS | H11 | 109.5° | 109.0° |
| CAQ | CAP | CAO | 114.4° | 112.5° |
| CAQ | CAP | H5 | 108.2° | 108.9° |
| CAQ | CAP | H6 | 108.2° | 108.8° |
| CAP | CAO | CAN | 110.5° | 108.0° |
| CAP | CAO | H3 | 109.2° | 109.7° |
| CAP | CAO | H4 | 109.2° | 109.8° |
| CAO | CAP | H5 | 108.2° | 108.8° |
| CAO | CAP | H6 | 108.2° | 108.9° |
| OAL | CAK | NAM | 117.6° | 120.0° |
| OAL | CAK | CAB | 115.4° | 120.0° |
| CAK | NAM | CAN | 127.7° | 121.2° |
| NAM | CAK | CAB | 126.4° | 120.0° |
| NAM | CAN | CAO | 109.0° | 110.2° |
| NAM | CAN | H1 | 109.6° | 109.4° |
| NAM | CAN | H2 | 109.6° | 109.2° |
| CAK | CAB | NAC | 117.5° | 125.4° |
| CAK | CAB | CAA | 133.6° | 125.4° |
| CAO | CAN | H1 | 109.6° | 109.3° |
| CAO | CAN | H2 | 109.6° | 109.3° |
| CAN | CAO | H3 | 109.2° | 109.8° |
| CAN | CAO | H4 | 109.2° | 109.8° |
| NAC | CAB | CAA | 108.8° | 109.2° |
| CAB | NAC | CAD | 108.5° | 108.7° |
| CAB | NAC | H23 | 125.7° | 125.6° |
| CAB | CAA | CAE | 104.6° | 107.7° |
| CAB | CAA | H12 | 127.7° | 126.2° |
| NAC | CAD | CAE | 108.7° | 107.4° |
| NAC | CAD | CAI | 127.2° | 133.2° |
| CAD | NAC | H23 | 125.8° | 125.6° |
| CAA | CAE | CAD | 109.3° | 107.0° |
| CAA | CAE | CAF | 131.9° | 133.3° |
| CAE | CAA | H12 | 127.7° | 126.2° |
| CAE | CAD | CAI | 124.1° | 119.4° |
| CAD | CAE | CAF | 118.8° | 119.7° |
| CAD | CAI | CAH | 120.0° | 119.9° |
| CAD | CAI | H22 | 120.0° | 120.1° |
| CAE | CAF | CAG | 117.7° | 119.8° |
| CAE | CAF | H13 | 121.1° | 120.1° |
| CAI | CAH | CAG | 116.7° | 120.6° |
| CAI | CAH | CAJ | 123.3° | 119.7° |
| CAH | CAI | H22 | 120.0° | 120.0° |
| CAF | CAG | CAH | 122.5° | 120.6° |
| CAG | CAF | H13 | 121.2° | 120.1° |
| CAF | CAG | H14 | 118.7° | 119.7° |
| CAG | CAH | CAJ | 120.0° | 119.7° |
| CAH | CAG | H14 | 118.8° | 119.7° |
| CAH | CAJ | CBB | 113.6° | 109.5° |
| CAH | CAJ | CBA | 109.4° | 109.5° |
| CAH | CAJ | OAZ | 110.2° | 109.5° |
| CBB | CAJ | CBA | 103.7° | 109.5° |
| CBB | CAJ | OAZ | 109.3° | 109.4° |
| CAJ | CBB | H18 | 109.5° | 109.5° |
| CAJ | CBB | H19 | 109.5° | 109.5° |
| CAJ | CBB | H20 | 109.5° | 109.4° |
| CBA | CAJ | OAZ | 110.4° | 109.5° |
| CAJ | CBA | H15 | 109.5° | 109.4° |
| CAJ | CBA | H16 | 109.4° | 109.5° |
| CAJ | CBA | H17 | 109.4° | 109.5° |
| CAJ | OAZ | H21 | 109.5° | 114.0° |
| H1 | CAN | H2 | 109.5° | 109.4° |
| H3 | CAO | H4 | 109.5° | 109.8° |
| H5 | CAP | H6 | 109.5° | 108.9° |
| H8 | NAX | H9 | 109.4° | 120.0° |
| H10 | CAS | H11 | 109.5° | 109.0° |
| H15 | CBA | H16 | 109.5° | 109.5° |
| H15 | CBA | H17 | 109.5° | 109.4° |
| H16 | CBA | H17 | 109.5° | 109.5° |
| H18 | CBB | H19 | 109.5° | 109.5° |
| H18 | CBB | H20 | 109.5° | 109.4° |
| H19 | CBB | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAX | CAU | NAV | CAT | 177.2° | 180.0° |
| NAX | CAU | CAT | FAY | 1.5° | 1.2° |
| NAX | CAU | NAV | CAW | 178.9° | 177.9° |
| NAX | CAU | CAT | CAR | 179.4° | 178.7° |
| CAU | NAX | H8 | H9 | 120.0° | 179.9° |
| NAV | CAU | CAT | FAY | 178.8° | 178.8° |
| NAV | CAU | CAT | CAR | 3.2° | 1.3° |
| CAU | NAV | CAW | CAQ | 4.7° | 0.1° |
| CAU | NAV | CAW | H7 | 175.4° | 179.9° |
| NAV | CAU | NAX | H8 | 0.0° | 0.0° |
| NAV | CAU | NAX | H9 | 120.0° | 179.9° |
| CAU | CAT | FAY | CAR | 178.0° | 179.9° |
| CAT | CAU | NAV | CAW | 3.9° | 2.1° |
| CAU | CAT | CAR | CAS | 179.3° | 175.3° |
| CAU | CAT | CAR | CAQ | 3.2° | 1.6° |
| CAT | CAU | NAX | H8 | 177.3° | 180.0° |
| CAT | CAU | NAX | H9 | 57.3° | 0.1° |
| FAY | CAT | CAR | CAS | 2.7° | 4.8° |
| FAY | CAT | CAR | CAQ | 178.7° | 178.3° |
| NAV | CAW | CAQ | H7 | 180.0° | 179.9° |
| NAV | CAW | CAQ | CAR | 4.7° | 3.0° |
| NAV | CAW | CAQ | CAP | 178.1° | 175.8° |
| CAT | CAR | CAQ | CAW | 4.0° | 3.6° |
| CAT | CAR | CAS | CAQ | 175.7° | 176.7° |
| CAT | CAR | CAS | NAM | 126.9° | 154.3° |
| CAT | CAR | CAQ | CAP | 179.1° | 175.0° |
| CAT | CAR | CAS | H10 | 6.9° | 33.7° |
| CAT | CAR | CAS | H11 | 113.1° | 85.2° |
| CAW | CAQ | CAR | CAS | 179.5° | 173.1° |
| CAW | CAQ | CAR | CAP | 177.0° | 178.6° |
| CAW | CAQ | CAP | CAO | 119.3° | 128.1° |
| CAW | CAQ | CAP | H5 | 120.0° | 111.2° |
| CAW | CAQ | CAP | H6 | 1.4° | 7.4° |
| CAR | CAS | NAM | H10 | 120.0° | 120.6° |
| CAR | CAS | NAM | H11 | 120.0° | 120.5° |
| CAS | CAR | CAQ | CAP | 3.5° | 8.3° |
| CAR | CAS | NAM | CAK | 100.4° | 90.9° |
| CAR | CAS | NAM | CAN | 80.1° | 89.1° |
| CAR | CAS | H10 | H11 | 120.0° | 118.9° |
| CAQ | CAR | CAS | NAM | 57.4° | 29.0° |
| CAR | CAQ | CAP | CAO | 57.7° | 53.2° |
| CAR | CAQ | CAP | H5 | 63.0° | 67.5° |
| CAR | CAQ | CAP | H6 | 178.5° | 174.0° |
| CAR | CAQ | CAW | H7 | 175.3° | 177.2° |
| CAQ | CAR | CAS | H10 | 177.4° | 149.6° |
| CAQ | CAR | CAS | H11 | 62.7° | 91.5° |
| CAS | NAM | CAK | OAL | 1.0° | 173.6° |
| CAS | NAM | CAK | CAN | 179.4° | 180.0° |
| CAS | NAM | CAK | CAB | 171.9° | 6.4° |
| CAS | NAM | CAN | CAO | 77.1° | 59.8° |
| CAS | NAM | CAN | H1 | 163.0° | 60.4° |
| CAS | NAM | CAN | H2 | 42.8° | 179.9° |
| NAM | CAS | H10 | H11 | 120.0° | 118.9° |
| CAQ | CAP | CAO | H5 | 120.7° | 120.8° |
| CAQ | CAP | CAO | H6 | 120.7° | 120.7° |
| CAQ | CAP | CAO | CAN | 79.0° | 88.7° |
| CAQ | CAP | CAO | H3 | 160.8° | 151.6° |
| CAQ | CAP | CAO | H4 | 41.1° | 30.9° |
| CAQ | CAP | H5 | H6 | 117.8° | 118.5° |
| CAP | CAQ | CAW | H7 | 1.9° | 4.1° |
| CAP | CAO | CAN | NAM | 72.6° | 33.7° |
| CAP | CAO | CAN | H3 | 120.2° | 119.6° |
| CAP | CAO | CAN | H4 | 120.1° | 119.6° |
| CAP | CAO | CAN | H1 | 167.5° | 153.9° |
| CAP | CAO | CAN | H2 | 47.3° | 86.4° |
| CAP | CAO | H3 | H4 | 119.5° | 120.7° |
| CAO | CAP | H5 | H6 | 117.8° | 118.6° |
| OAL | CAK | NAM | CAB | 170.9° | 180.0° |
| OAL | CAK | NAM | CAN | 179.6° | 6.4° |
| OAL | CAK | CAB | NAC | 29.5° | 171.6° |
| OAL | CAK | CAB | CAA | 153.3° | 8.0° |
| CAK | NAM | CAN | CAO | 103.5° | 120.2° |
| NAM | CAK | CAB | NAC | 159.4° | 8.4° |
| NAM | CAK | CAB | CAA | 17.8° | 172.0° |
| CAK | NAM | CAN | H1 | 16.5° | 119.6° |
| CAK | NAM | CAN | H2 | 136.6° | 0.1° |
| CAK | NAM | CAS | H10 | 19.6° | 29.7° |
| CAK | NAM | CAS | H11 | 139.6° | 148.6° |
| CAN | NAM | CAK | CAB | 8.7° | 173.6° |
| NAM | CAN | CAO | H1 | 119.9° | 120.2° |
| NAM | CAN | CAO | H2 | 119.9° | 120.1° |
| NAM | CAN | H1 | H2 | 120.2° | 119.6° |
| NAM | CAN | CAO | H3 | 167.2° | 153.3° |
| NAM | CAN | CAO | H4 | 47.6° | 86.0° |
| CAN | NAM | CAS | H10 | 159.9° | 150.3° |
| CAN | NAM | CAS | H11 | 39.9° | 31.4° |
| CAK | CAB | NAC | CAA | 177.9° | 179.7° |
| CAK | CAB | NAC | CAD | 179.2° | 179.8° |
| CAK | CAB | CAA | CAE | 179.0° | 180.0° |
| CAK | CAB | CAA | H12 | 1.0° | 0.0° |
| CAK | CAB | NAC | H23 | 0.8° | 0.0° |
| CAO | CAN | H1 | H2 | 120.2° | 119.7° |
| CAN | CAO | H3 | H4 | 119.5° | 120.7° |
| CAN | CAO | CAP | H5 | 41.7° | 32.0° |
| CAN | CAO | CAP | H6 | 160.2° | 150.6° |
| CAB | NAC | CAD | H23 | 180.0° | 179.8° |
| NAC | CAB | CAA | CAE | 3.7° | 0.3° |
| CAB | NAC | CAD | CAE | 1.1° | 0.4° |
| CAB | NAC | CAD | CAI | 176.7° | 179.9° |
| NAC | CAB | CAA | H12 | 176.3° | 179.7° |
| CAA | CAB | NAC | CAD | 3.0° | 0.5° |
| CAB | CAA | CAE | H12 | 180.0° | 180.0° |
| CAB | CAA | CAE | CAD | 3.0° | 0.0° |
| CAB | CAA | CAE | CAF | 175.5° | 180.0° |
| CAA | CAB | NAC | H23 | 177.0° | 179.7° |
| NAC | CAD | CAE | CAA | 1.3° | 0.2° |
| NAC | CAD | CAE | CAI | 177.9° | 179.7° |
| NAC | CAD | CAE | CAF | 177.4° | 179.7° |
| NAC | CAD | CAI | CAH | 178.4° | 179.7° |
| NAC | CAD | CAI | H22 | 1.6° | 0.4° |
| CAA | CAE | CAD | CAF | 178.7° | 180.0° |
| CAA | CAE | CAD | CAI | 179.2° | 180.0° |
| CAA | CAE | CAF | CAG | 178.1° | 180.0° |
| CAA | CAE | CAF | H13 | 1.9° | 0.1° |
| CAE | CAD | CAI | CAH | 4.0° | 0.0° |
| CAD | CAE | CAF | CAG | 3.6° | 0.0° |
| CAD | CAE | CAA | H12 | 177.0° | 180.0° |
| CAD | CAE | CAF | H13 | 176.4° | 180.0° |
| CAE | CAD | CAI | H22 | 175.9° | 180.0° |
| CAE | CAD | NAC | H23 | 178.9° | 179.7° |
| CAI | CAD | CAE | CAF | 0.5° | 0.0° |
| CAD | CAI | CAH | H22 | 180.0° | 180.0° |
| CAD | CAI | CAH | CAG | 5.1° | 0.0° |
| CAD | CAI | CAH | CAJ | 179.0° | 180.0° |
| CAI | CAD | NAC | H23 | 3.3° | 0.1° |
| CAE | CAF | CAG | H13 | 180.0° | 179.9° |
| CAE | CAF | CAG | CAH | 2.4° | 0.0° |
| CAF | CAE | CAA | H12 | 4.5° | 0.0° |
| CAE | CAF | CAG | H14 | 177.6° | 180.0° |
| CAI | CAH | CAG | CAF | 2.0° | 0.0° |
| CAI | CAH | CAG | CAJ | 176.0° | 180.0° |
| CAI | CAH | CAJ | CBB | 0.7° | 90.0° |
| CAI | CAH | CAJ | CBA | 116.0° | 150.0° |
| CAI | CAH | CAJ | OAZ | 122.4° | 29.9° |
| CAI | CAH | CAG | H14 | 178.0° | 180.0° |
| CAF | CAG | CAH | H14 | 180.0° | 180.0° |
| CAF | CAG | CAH | CAJ | 178.0° | 180.0° |
| CAG | CAH | CAJ | CBB | 175.1° | 90.0° |
| CAG | CAH | CAJ | CBA | 59.7° | 30.0° |
| CAG | CAH | CAJ | OAZ | 61.9° | 150.0° |
| CAH | CAG | CAF | H13 | 177.7° | 180.0° |
| CAG | CAH | CAI | H22 | 174.9° | 180.0° |
| CAH | CAJ | CBB | CBA | 118.7° | 120.1° |
| CAH | CAJ | CBB | OAZ | 123.5° | 120.0° |
| CAH | CAJ | CBA | OAZ | 121.5° | 120.0° |
| CAJ | CAH | CAG | H14 | 2.0° | 0.0° |
| CAH | CAJ | CBA | H15 | 180.0° | 59.9° |
| CAH | CAJ | CBA | H16 | 60.0° | 179.9° |
| CAH | CAJ | CBA | H17 | 60.0° | 60.0° |
| CAH | CAJ | CBB | H18 | 180.0° | 59.9° |
| CAH | CAJ | CBB | H19 | 60.0° | 180.0° |
| CAH | CAJ | CBB | H20 | 60.0° | 60.0° |
| CAH | CAJ | OAZ | H21 | 180.0° | 60.1° |
| CAJ | CAH | CAI | H22 | 1.0° | 0.0° |
| CBB | CAJ | CBA | OAZ | 117.0° | 119.9° |
| CBB | CAJ | CBA | H15 | 58.5° | 60.1° |
| CBB | CAJ | CBA | H16 | 178.5° | 59.9° |
| CBB | CAJ | CBA | H17 | 61.5° | 180.0° |
| CAJ | CBB | H18 | H19 | 120.0° | 120.0° |
| CAJ | CBB | H18 | H20 | 120.0° | 119.9° |
| CAJ | CBB | H19 | H20 | 120.0° | 120.0° |
| CBB | CAJ | OAZ | H21 | 54.5° | 180.0° |
| CAJ | CBA | H15 | H16 | 120.0° | 120.0° |
| CAJ | CBA | H15 | H17 | 120.0° | 120.0° |
| CAJ | CBA | H16 | H17 | 119.9° | 120.0° |
| CBA | CAJ | CBB | H18 | 61.3° | 180.0° |
| CBA | CAJ | CBB | H19 | 58.7° | 60.0° |
| CBA | CAJ | CBB | H20 | 178.6° | 60.1° |
| CBA | CAJ | OAZ | H21 | 59.0° | 60.0° |
| OAZ | CAJ | CBA | H15 | 58.5° | 180.0° |
| OAZ | CAJ | CBA | H16 | 61.5° | 60.0° |
| OAZ | CAJ | CBA | H17 | 178.5° | 60.1° |
| OAZ | CAJ | CBB | H18 | 56.5° | 60.0° |
| OAZ | CAJ | CBB | H19 | 176.5° | 60.0° |
| OAZ | CAJ | CBB | H20 | 63.6° | 180.0° |
| H1 | CAN | CAO | H3 | 47.3° | 86.5° |
| H1 | CAN | CAO | H4 | 72.4° | 34.3° |
| H2 | CAN | CAO | H3 | 72.9° | 33.2° |
| H2 | CAN | CAO | H4 | 167.5° | 154.0° |
| H3 | CAO | CAP | H5 | 78.5° | 87.6° |
| H3 | CAO | CAP | H6 | 40.1° | 30.9° |
| H4 | CAO | CAP | H5 | 161.8° | 151.7° |
| H4 | CAO | CAP | H6 | 79.6° | 89.8° |
| H13 | CAF | CAG | H14 | 2.3° | 0.0° |
| H15 | CBA | H16 | H17 | 120.0° | 120.0° |
| H18 | CBB | H19 | H20 | 120.0° | 120.0° |
