BVN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAP | doub | 1.21Å | 1.23Å | |
| CAP | CAQ | sing | 1.47Å | 1.39Å | |
| CAP | CAO | sing | 1.51Å | 1.54Å | |
| CAR | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAB | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| OAF | NAE | doub | 1.22Å | 1.50Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.53Å | 1.51Å | |
| CAN | NAM | sing | 1.47Å | 1.47Å | |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | NAE | sing | 1.48Å | 1.34Å | |
| NAE | OAT | sing | 1.22Å | 1.48Å | |
| NAM | CAL | sing | 1.39Å | 1.33Å | |
| CAK | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAJ | sing | 1.37Å | 1.40Å | Aromatic |
| CAL | CBD | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CBB | doub | 1.40Å | 1.41Å | Aromatic |
| CBD | CBC | doub | 1.37Å | 1.40Å | Aromatic |
| CAH | CAG | sing | 1.53Å | 1.53Å | |
| CBB | CBC | sing | 1.40Å | 1.41Å | Aromatic |
| CBB | CBA | sing | 1.47Å | 1.41Å | |
| CAG | NAW | sing | 1.47Å | 1.48Å | |
| CAY | OAZ | sing | 1.45Å | 1.46Å | |
| CAY | CAX | sing | 1.53Å | 1.55Å | |
| CBA | OAZ | sing | 1.35Å | 1.38Å | |
| CBA | OAI | doub | 1.21Å | 1.23Å | |
| NAW | CAX | sing | 1.47Å | 1.50Å | |
| NAW | CAV | sing | 1.47Å | 1.46Å | |
| CAV | CAU | sing | 1.53Å | 1.54Å | |
| CAH | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAV | H7 | sing | 1.09Å | 1.10Å | |
| CAV | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| CAU | H10 | sing | 1.09Å | 1.10Å | |
| CAU | H11 | sing | 1.09Å | 1.10Å | |
| CAX | H12 | sing | 1.09Å | 1.10Å | |
| CAX | H13 | sing | 1.09Å | 1.10Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| CAY | H15 | sing | 1.09Å | 1.10Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å | |
| CBC | H18 | sing | 1.08Å | 1.08Å | |
| CBD | H19 | sing | 1.08Å | 1.08Å | |
| NAM | H20 | sing | 0.97Å | 1.00Å | |
| CAN | H21 | sing | 1.09Å | 1.10Å | |
| CAN | H22 | sing | 1.09Å | 1.10Å | |
| CAO | H23 | sing | 1.09Å | 1.10Å | |
| CAO | H24 | sing | 1.09Å | 1.10Å | |
| CAR | H25 | sing | 1.08Å | 1.08Å | |
| CAS | H26 | sing | 1.08Å | 1.08Å | |
| CAC | H27 | sing | 1.08Å | 1.08Å | |
| CAB | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAP | CAQ | 120.6° | 120.0° |
| OAA | CAP | CAO | 121.9° | 120.1° |
| CAQ | CAP | CAO | 117.1° | 120.0° |
| CAP | CAQ | CAR | 120.7° | 120.2° |
| CAP | CAQ | CAB | 119.4° | 120.2° |
| CAP | CAO | CAN | 111.9° | 109.4° |
| CAP | CAO | H23 | 108.9° | 109.5° |
| CAP | CAO | H24 | 108.9° | 109.4° |
| CAQ | CAR | CAS | 119.8° | 119.8° |
| CAR | CAQ | CAB | 120.0° | 119.6° |
| CAQ | CAR | H25 | 120.1° | 120.1° |
| CAR | CAS | CAD | 120.3° | 120.2° |
| CAS | CAR | H25 | 120.1° | 120.1° |
| CAR | CAS | H26 | 119.9° | 119.9° |
| CAQ | CAB | CAC | 120.5° | 119.8° |
| CAQ | CAB | H28 | 119.8° | 120.0° |
| CAS | CAD | CAC | 119.7° | 120.4° |
| CAS | CAD | NAE | 120.6° | 119.8° |
| CAD | CAS | H26 | 119.9° | 119.9° |
| OAF | NAE | CAD | 118.7° | 120.1° |
| OAF | NAE | OAT | 122.2° | 120.0° |
| CAB | CAC | CAD | 119.9° | 120.2° |
| CAB | CAC | H27 | 120.1° | 119.9° |
| CAC | CAB | H28 | 119.8° | 120.1° |
| CAO | CAN | NAM | 106.4° | 109.4° |
| CAO | CAN | H21 | 110.3° | 109.5° |
| CAO | CAN | H22 | 110.2° | 109.5° |
| CAN | CAO | H23 | 108.9° | 109.5° |
| CAN | CAO | H24 | 108.8° | 109.5° |
| CAN | NAM | CAL | 118.5° | 120.0° |
| CAN | NAM | H20 | 107.2° | 120.0° |
| NAM | CAN | H21 | 110.2° | 109.4° |
| NAM | CAN | H22 | 110.2° | 109.5° |
| CAC | CAD | NAE | 119.7° | 119.8° |
| CAD | CAC | H27 | 120.1° | 120.0° |
| CAD | NAE | OAT | 119.0° | 120.0° |
| NAM | CAL | CAK | 119.3° | 119.9° |
| NAM | CAL | CBD | 121.2° | 119.9° |
| CAL | NAM | H20 | 107.2° | 120.0° |
| CAL | CAK | CAJ | 120.9° | 120.0° |
| CAK | CAL | CBD | 119.5° | 120.2° |
| CAL | CAK | H17 | 119.5° | 120.0° |
| CAK | CAJ | CBB | 120.0° | 119.9° |
| CAK | CAJ | H16 | 120.0° | 120.1° |
| CAJ | CAK | H17 | 119.6° | 119.9° |
| CAL | CBD | CBC | 119.7° | 120.1° |
| CAL | CBD | H19 | 120.2° | 120.0° |
| CAJ | CBB | CBC | 118.8° | 119.9° |
| CAJ | CBB | CBA | 121.9° | 120.1° |
| CBB | CAJ | H16 | 120.0° | 120.0° |
| CBD | CBC | CBB | 121.1° | 119.9° |
| CBD | CBC | H18 | 119.4° | 120.0° |
| CBC | CBD | H19 | 120.1° | 119.9° |
| CAH | CAG | NAW | 112.0° | 109.5° |
| CAG | CAH | H1 | 109.5° | 109.5° |
| CAG | CAH | H2 | 109.5° | 109.5° |
| CAG | CAH | H3 | 109.5° | 109.5° |
| CAH | CAG | H4 | 108.8° | 109.5° |
| CAH | CAG | H5 | 108.8° | 109.4° |
| CBC | CBB | CBA | 119.3° | 120.0° |
| CBB | CBC | H18 | 119.5° | 120.1° |
| CBB | CBA | OAZ | 118.6° | 120.0° |
| CBB | CBA | OAI | 119.9° | 120.0° |
| CAG | NAW | CAX | 101.5° | 111.0° |
| CAG | NAW | CAV | 116.7° | 111.0° |
| NAW | CAG | H4 | 108.8° | 109.5° |
| NAW | CAG | H5 | 108.8° | 109.5° |
| OAZ | CAY | CAX | 110.8° | 109.5° |
| CAY | OAZ | CBA | 126.3° | 117.0° |
| OAZ | CAY | H14 | 109.2° | 109.5° |
| OAZ | CAY | H15 | 109.1° | 109.4° |
| CAY | CAX | NAW | 108.6° | 109.5° |
| CAY | CAX | H12 | 109.7° | 109.4° |
| CAY | CAX | H13 | 109.7° | 109.5° |
| CAX | CAY | H14 | 109.1° | 109.5° |
| CAX | CAY | H15 | 109.1° | 109.5° |
| OAZ | CBA | OAI | 121.4° | 120.0° |
| CAX | NAW | CAV | 99.9° | 111.0° |
| NAW | CAX | H12 | 109.7° | 109.5° |
| NAW | CAX | H13 | 109.7° | 109.5° |
| NAW | CAV | CAU | 106.0° | 109.5° |
| NAW | CAV | H7 | 110.3° | 109.5° |
| NAW | CAV | H8 | 110.3° | 109.5° |
| CAU | CAV | H7 | 110.3° | 109.5° |
| CAU | CAV | H8 | 110.3° | 109.5° |
| CAV | CAU | H9 | 109.5° | 109.4° |
| CAV | CAU | H10 | 109.5° | 109.4° |
| CAV | CAU | H11 | 109.4° | 109.4° |
| H1 | CAH | H2 | 109.4° | 109.4° |
| H1 | CAH | H3 | 109.5° | 109.5° |
| H2 | CAH | H3 | 109.5° | 109.5° |
| H4 | CAG | H5 | 109.5° | 109.5° |
| H7 | CAV | H8 | 109.5° | 109.5° |
| H9 | CAU | H10 | 109.4° | 109.5° |
| H9 | CAU | H11 | 109.5° | 109.5° |
| H10 | CAU | H11 | 109.5° | 109.5° |
| H12 | CAX | H13 | 109.4° | 109.5° |
| H14 | CAY | H15 | 109.5° | 109.4° |
| H21 | CAN | H22 | 109.5° | 109.5° |
| H23 | CAO | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAP | CAQ | CAO | 171.9° | 179.9° |
| OAA | CAP | CAQ | CAR | 96.7° | 179.8° |
| OAA | CAP | CAQ | CAB | 82.3° | 0.0° |
| OAA | CAP | CAO | CAN | 100.7° | 0.0° |
| OAA | CAP | CAO | H23 | 19.7° | 120.0° |
| OAA | CAP | CAO | H24 | 139.0° | 120.0° |
| CAP | CAQ | CAR | CAB | 179.0° | 179.8° |
| CAP | CAQ | CAR | CAS | 179.5° | 180.0° |
| CAP | CAQ | CAB | CAC | 179.5° | 179.7° |
| CAQ | CAP | CAO | CAN | 87.6° | 180.0° |
| CAQ | CAP | CAO | H23 | 152.1° | 60.0° |
| CAQ | CAP | CAO | H24 | 32.8° | 60.1° |
| CAP | CAQ | CAR | H25 | 0.5° | 0.0° |
| CAP | CAQ | CAB | H28 | 0.5° | 0.0° |
| CAO | CAP | CAQ | CAR | 91.4° | 0.3° |
| CAO | CAP | CAQ | CAB | 89.6° | 179.9° |
| CAP | CAO | CAN | H23 | 120.4° | 120.0° |
| CAP | CAO | CAN | H24 | 120.4° | 119.9° |
| CAP | CAO | CAN | NAM | 100.3° | 179.9° |
| CAP | CAO | CAN | H21 | 19.2° | 60.0° |
| CAP | CAO | CAN | H22 | 140.2° | 60.0° |
| CAP | CAO | H23 | H24 | 118.9° | 120.0° |
| CAQ | CAR | CAS | H25 | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAD | 0.2° | 0.1° |
| CAR | CAQ | CAB | CAC | 0.4° | 0.5° |
| CAQ | CAR | CAS | H26 | 179.8° | 180.0° |
| CAR | CAQ | CAB | H28 | 179.5° | 179.7° |
| CAS | CAR | CAQ | CAB | 0.5° | 0.2° |
| CAR | CAS | CAD | H26 | 180.0° | 180.0° |
| CAR | CAS | CAD | CAC | 0.2° | 0.1° |
| CAR | CAS | CAD | NAE | 179.3° | 180.0° |
| CAQ | CAB | CAC | H28 | 180.0° | 179.8° |
| CAQ | CAB | CAC | CAD | 0.1° | 0.5° |
| CAB | CAQ | CAR | H25 | 179.5° | 179.8° |
| CAQ | CAB | CAC | H27 | 179.9° | 179.7° |
| CAS | CAD | NAE | OAF | 34.8° | 180.0° |
| CAS | CAD | CAC | CAB | 0.2° | 0.2° |
| CAS | CAD | CAC | NAE | 179.2° | 179.9° |
| CAS | CAD | NAE | OAT | 148.1° | 0.1° |
| CAD | CAS | CAR | H25 | 179.8° | 179.9° |
| CAS | CAD | CAC | H27 | 179.8° | 180.0° |
| OAF | NAE | CAD | CAC | 144.4° | 0.1° |
| OAF | NAE | CAD | OAT | 177.1° | 179.9° |
| CAB | CAC | CAD | H27 | 180.0° | 179.8° |
| CAB | CAC | CAD | NAE | 179.4° | 179.7° |
| CAO | CAN | NAM | H21 | 119.5° | 119.9° |
| CAO | CAN | NAM | H22 | 119.5° | 120.0° |
| CAO | CAN | NAM | CAL | 114.5° | 180.0° |
| CAO | CAN | NAM | H20 | 6.8° | 0.0° |
| CAO | CAN | H21 | H22 | 121.4° | 120.0° |
| CAN | CAO | H23 | H24 | 118.9° | 120.0° |
| CAN | NAM | CAL | H20 | 121.3° | 179.9° |
| CAN | NAM | CAL | CAK | 58.6° | 180.0° |
| CAN | NAM | CAL | CBD | 120.3° | 0.2° |
| NAM | CAN | H21 | H22 | 121.4° | 120.0° |
| NAM | CAN | CAO | H23 | 139.3° | 60.0° |
| NAM | CAN | CAO | H24 | 20.1° | 60.0° |
| CAC | CAD | NAE | OAT | 32.7° | 180.0° |
| CAC | CAD | CAS | H26 | 179.8° | 179.9° |
| CAD | CAC | CAB | H28 | 179.9° | 179.8° |
| NAE | CAD | CAS | H26 | 0.6° | 0.0° |
| NAE | CAD | CAC | H27 | 0.6° | 0.1° |
| NAM | CAL | CAK | CBD | 178.9° | 179.8° |
| NAM | CAL | CAK | CAJ | 179.4° | 180.0° |
| NAM | CAL | CBD | CBC | 179.6° | 179.8° |
| NAM | CAL | CAK | H17 | 0.6° | 0.0° |
| NAM | CAL | CBD | H19 | 0.4° | 0.2° |
| CAL | NAM | CAN | H21 | 126.0° | 60.1° |
| CAL | NAM | CAN | H22 | 5.0° | 60.0° |
| CAL | CAK | CAJ | H17 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CBB | 0.3° | 0.1° |
| CAK | CAL | CBD | CBC | 0.7° | 0.4° |
| CAL | CAK | CAJ | H16 | 179.7° | 180.0° |
| CAK | CAL | CBD | H19 | 179.3° | 180.0° |
| CAK | CAL | NAM | H20 | 179.9° | 0.0° |
| CAJ | CAK | CAL | CBD | 0.5° | 0.2° |
| CAK | CAJ | CBB | H16 | 180.0° | 180.0° |
| CAK | CAJ | CBB | CBC | 0.7° | 0.0° |
| CAK | CAJ | CBB | CBA | 180.0° | 179.7° |
| CAL | CBD | CBC | H19 | 180.0° | 179.5° |
| CAL | CBD | CBC | CBB | 0.3° | 0.5° |
| CBD | CAL | CAK | H17 | 179.6° | 179.8° |
| CAL | CBD | CBC | H18 | 179.7° | 179.5° |
| CBD | CAL | NAM | H20 | 1.0° | 179.8° |
| CAJ | CBB | CBC | CBD | 0.4° | 0.2° |
| CAJ | CBB | CBC | CBA | 179.3° | 179.8° |
| CAJ | CBB | CBA | OAZ | 38.7° | 0.3° |
| CAJ | CBB | CBA | OAI | 140.0° | 179.7° |
| CBB | CAJ | CAK | H17 | 179.7° | 180.0° |
| CAJ | CBB | CBC | H18 | 179.6° | 179.8° |
| CBD | CBC | CBB | H18 | 180.0° | 180.0° |
| CBD | CBC | CBB | CBA | 179.8° | 180.0° |
| CAH | CAG | NAW | H4 | 120.4° | 120.0° |
| CAH | CAG | NAW | H5 | 120.4° | 119.9° |
| CAH | CAG | NAW | CAX | 170.4° | 164.2° |
| CAH | CAG | NAW | CAV | 82.2° | 71.8° |
| CAG | CAH | H1 | H2 | 120.0° | 120.0° |
| CAG | CAH | H1 | H3 | 120.0° | 120.0° |
| CAG | CAH | H2 | H3 | 120.0° | 120.0° |
| CAH | CAG | H4 | H5 | 118.8° | 119.9° |
| CBC | CBB | CBA | OAZ | 141.9° | 180.0° |
| CBC | CBB | CBA | OAI | 39.4° | 0.0° |
| CBC | CBB | CAJ | H16 | 179.3° | 180.0° |
| CBB | CBC | CBD | H19 | 179.7° | 180.0° |
| CBB | CBA | OAZ | CAY | 47.7° | 180.0° |
| CBB | CBA | OAZ | OAI | 178.7° | 180.0° |
| CBA | CBB | CAJ | H16 | 0.1° | 0.3° |
| CBA | CBB | CBC | H18 | 0.2° | 0.0° |
| CAG | NAW | CAX | CAY | 86.8° | 66.1° |
| CAG | NAW | CAX | CAV | 120.1° | 124.0° |
| CAG | NAW | CAV | CAU | 97.9° | 164.1° |
| NAW | CAG | CAH | H1 | 180.0° | 174.8° |
| NAW | CAG | CAH | H2 | 60.0° | 65.3° |
| NAW | CAG | CAH | H3 | 60.0° | 54.7° |
| NAW | CAG | H4 | H5 | 118.9° | 120.0° |
| CAG | NAW | CAV | H7 | 142.7° | 44.1° |
| CAG | NAW | CAV | H8 | 21.6° | 75.9° |
| CAG | NAW | CAX | H12 | 153.3° | 174.0° |
| CAG | NAW | CAX | H13 | 33.1° | 54.0° |
| OAZ | CAY | CAX | H14 | 120.2° | 120.0° |
| OAZ | CAY | CAX | H15 | 120.2° | 120.0° |
| CAY | OAZ | CBA | OAI | 133.6° | 0.0° |
| OAZ | CAY | CAX | NAW | 174.3° | 65.0° |
| OAZ | CAY | CAX | H12 | 54.4° | 55.0° |
| OAZ | CAY | CAX | H13 | 65.8° | 175.0° |
| OAZ | CAY | H14 | H15 | 119.4° | 120.0° |
| CAX | CAY | OAZ | CBA | 47.0° | 180.0° |
| CAY | CAX | NAW | H12 | 119.9° | 120.0° |
| CAY | CAX | NAW | H13 | 119.9° | 120.0° |
| CAY | CAX | NAW | CAV | 153.1° | 170.0° |
| CAY | CAX | H12 | H13 | 120.4° | 120.0° |
| CAX | CAY | H14 | H15 | 119.4° | 120.0° |
| CBA | OAZ | CAY | H14 | 73.2° | 60.0° |
| CBA | OAZ | CAY | H15 | 167.2° | 60.0° |
| CAX | NAW | CAV | CAU | 153.8° | 71.9° |
| CAX | NAW | CAG | H4 | 50.0° | 75.7° |
| CAX | NAW | CAG | H5 | 69.3° | 44.3° |
| CAX | NAW | CAV | H7 | 34.4° | 168.1° |
| CAX | NAW | CAV | H8 | 86.7° | 48.1° |
| NAW | CAX | H12 | H13 | 120.4° | 120.0° |
| NAW | CAX | CAY | H14 | 65.5° | 175.0° |
| NAW | CAX | CAY | H15 | 54.1° | 55.0° |
| NAW | CAV | CAU | H7 | 119.4° | 120.0° |
| NAW | CAV | CAU | H8 | 119.5° | 120.0° |
| CAV | NAW | CAG | H4 | 157.4° | 48.2° |
| CAV | NAW | CAG | H5 | 38.1° | 168.2° |
| NAW | CAV | H7 | H8 | 121.6° | 120.0° |
| NAW | CAV | CAU | H9 | 180.0° | 65.3° |
| NAW | CAV | CAU | H10 | 60.0° | 54.7° |
| NAW | CAV | CAU | H11 | 60.0° | 174.8° |
| CAV | NAW | CAX | H12 | 33.2° | 50.0° |
| CAV | NAW | CAX | H13 | 87.0° | 70.0° |
| CAU | CAV | H7 | H8 | 121.6° | 120.0° |
| CAV | CAU | H9 | H10 | 120.0° | 120.0° |
| CAV | CAU | H9 | H11 | 120.0° | 119.9° |
| CAV | CAU | H10 | H11 | 120.0° | 120.0° |
| H1 | CAH | H2 | H3 | 120.0° | 120.0° |
| H1 | CAH | CAG | H4 | 59.6° | 65.2° |
| H1 | CAH | CAG | H5 | 59.7° | 54.8° |
| H2 | CAH | CAG | H4 | 60.4° | 54.8° |
| H2 | CAH | CAG | H5 | 179.6° | 174.7° |
| H3 | CAH | CAG | H4 | 179.6° | 174.8° |
| H3 | CAH | CAG | H5 | 60.4° | 65.3° |
| H7 | CAV | CAU | H9 | 60.6° | 174.7° |
| H7 | CAV | CAU | H10 | 179.4° | 65.3° |
| H7 | CAV | CAU | H11 | 59.5° | 54.8° |
| H8 | CAV | CAU | H9 | 60.5° | 54.8° |
| H8 | CAV | CAU | H10 | 59.5° | 174.8° |
| H8 | CAV | CAU | H11 | 179.4° | 65.2° |
| H9 | CAU | H10 | H11 | 120.0° | 120.1° |
| H12 | CAX | CAY | H14 | 174.7° | 65.0° |
| H12 | CAX | CAY | H15 | 65.8° | 175.0° |
| H13 | CAX | CAY | H14 | 54.4° | 55.0° |
| H13 | CAX | CAY | H15 | 174.0° | 65.0° |
| H16 | CAJ | CAK | H17 | 0.3° | 0.0° |
| H18 | CBC | CBD | H19 | 0.3° | 0.0° |
| H20 | NAM | CAN | H21 | 112.7° | 120.0° |
| H20 | NAM | CAN | H22 | 126.3° | 120.0° |
| H21 | CAN | CAO | H23 | 101.1° | 180.0° |
| H21 | CAN | CAO | H24 | 139.6° | 59.9° |
| H22 | CAN | CAO | H23 | 19.8° | 60.0° |
| H22 | CAN | CAO | H24 | 99.4° | 180.0° |
| H25 | CAR | CAS | H26 | 0.2° | 0.0° |
| H27 | CAC | CAB | H28 | 0.1° | 0.1° |
