VSF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAU | sing | 1.53Å | 1.53Å | |
| CAV | CAQ | sing | 1.53Å | 1.53Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| CAU | OAT | sing | 1.43Å | 1.43Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| OAT | CAS | sing | 1.43Å | 1.44Å | |
| C4 | NAG | sing | 1.37Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| CAQ | NAG | sing | 1.46Å | 1.49Å | |
| CAQ | CAR | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | NAK | sing | 1.38Å | 1.35Å | |
| NAG | CAH | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | CAI | sing | 1.47Å | 1.39Å | Aromatic |
| CAP | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.36Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.48Å | 1.50Å | |
| CAS | CAR | sing | 1.53Å | 1.53Å | |
| CAO | CAN | sing | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | OBD | sing | 1.36Å | 1.37Å | |
| CAN | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| OBD | CBE | sing | 1.36Å | 1.37Å | |
| CBE | CBJ | doub | 1.39Å | 1.39Å | Aromatic |
| CBE | CBF | sing | 1.39Å | 1.39Å | Aromatic |
| CBJ | CBI | sing | 1.38Å | 1.39Å | Aromatic |
| CBF | CBG | doub | 1.38Å | 1.39Å | Aromatic |
| CBI | CBH | doub | 1.38Å | 1.39Å | Aromatic |
| CBG | CBH | sing | 1.38Å | 1.39Å | Aromatic |
| NAK | H1 | sing | 0.97Å | 1.00Å | |
| NAK | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| CAQ | H4 | sing | 1.09Å | 1.10Å | |
| CAV | H5 | sing | 1.09Å | 1.10Å | |
| CAV | H6 | sing | 1.09Å | 1.10Å | |
| CAU | H7 | sing | 1.09Å | 1.10Å | |
| CAU | H8 | sing | 1.09Å | 1.10Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAL | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.08Å | 1.08Å | |
| CAO | H16 | sing | 1.08Å | 1.08Å | |
| CAP | H17 | sing | 1.08Å | 1.08Å | |
| CBJ | H18 | sing | 1.08Å | 1.08Å | |
| CBI | H19 | sing | 1.08Å | 1.08Å | |
| CBH | H20 | sing | 1.08Å | 1.08Å | |
| CBG | H21 | sing | 1.08Å | 1.08Å | |
| CBF | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAV | CAQ | 109.9° | 109.1° |
| CAV | CAU | OAT | 108.2° | 109.4° |
| CAU | CAV | H5 | 109.4° | 109.6° |
| CAU | CAV | H6 | 109.4° | 109.6° |
| CAV | CAU | H7 | 109.8° | 109.5° |
| CAV | CAU | H8 | 109.8° | 109.5° |
| CAV | CAQ | NAG | 110.2° | 109.5° |
| CAV | CAQ | CAR | 109.6° | 109.0° |
| CAV | CAQ | H4 | 109.4° | 109.6° |
| CAQ | CAV | H5 | 109.4° | 109.5° |
| CAQ | CAV | H6 | 109.4° | 109.5° |
| N3 | C2 | N1 | 120.9° | 122.7° |
| C2 | N3 | C4 | 120.8° | 120.8° |
| N3 | C2 | H3 | 119.5° | 118.7° |
| C2 | N1 | C6 | 120.9° | 121.0° |
| N1 | C2 | H3 | 119.5° | 118.6° |
| N3 | C4 | NAG | 132.2° | 134.1° |
| N3 | C4 | C5 | 119.5° | 118.5° |
| CAU | OAT | CAS | 111.6° | 114.1° |
| OAT | CAU | H7 | 109.8° | 109.5° |
| OAT | CAU | H8 | 109.8° | 109.5° |
| N1 | C6 | C5 | 119.5° | 118.4° |
| N1 | C6 | NAK | 119.8° | 120.8° |
| OAT | CAS | CAR | 110.5° | 109.4° |
| OAT | CAS | H9 | 109.2° | 109.5° |
| OAT | CAS | H10 | 109.2° | 109.5° |
| NAG | C4 | C5 | 108.3° | 107.4° |
| C4 | NAG | CAQ | 126.2° | 124.9° |
| C4 | NAG | CAH | 109.1° | 110.3° |
| C4 | C5 | C6 | 118.3° | 118.7° |
| C4 | C5 | CAI | 107.2° | 106.2° |
| NAG | CAQ | CAR | 108.4° | 109.5° |
| CAQ | NAG | CAH | 124.8° | 124.8° |
| NAG | CAQ | H4 | 109.9° | 109.5° |
| CAQ | CAR | CAS | 111.6° | 109.2° |
| CAR | CAQ | H4 | 109.4° | 109.6° |
| CAQ | CAR | H11 | 108.9° | 109.5° |
| CAQ | CAR | H12 | 109.0° | 109.6° |
| C5 | C6 | NAK | 120.8° | 120.8° |
| C6 | C5 | CAI | 134.4° | 135.0° |
| C6 | NAK | H1 | 109.5° | 120.0° |
| C6 | NAK | H2 | 109.5° | 120.0° |
| NAG | CAH | CAI | 109.3° | 109.6° |
| NAG | CAH | H13 | 125.4° | 125.2° |
| C5 | CAI | CAH | 106.1° | 106.5° |
| C5 | CAI | CAJ | 129.4° | 126.8° |
| CAO | CAP | CAJ | 120.7° | 119.9° |
| CAP | CAO | CAN | 120.7° | 120.0° |
| CAP | CAO | H16 | 119.7° | 120.0° |
| CAO | CAP | H17 | 119.6° | 120.0° |
| CAP | CAJ | CAI | 118.0° | 120.1° |
| CAP | CAJ | CAL | 118.9° | 119.8° |
| CAJ | CAP | H17 | 119.7° | 120.0° |
| CAH | CAI | CAJ | 124.4° | 126.7° |
| CAI | CAH | H13 | 125.3° | 125.2° |
| CAI | CAJ | CAL | 123.0° | 120.1° |
| CAR | CAS | H9 | 109.2° | 109.5° |
| CAR | CAS | H10 | 109.2° | 109.5° |
| CAS | CAR | H11 | 108.9° | 109.5° |
| CAS | CAR | H12 | 108.9° | 109.5° |
| CAO | CAN | OBD | 118.2° | 119.9° |
| CAO | CAN | CAM | 119.0° | 120.2° |
| CAN | CAO | H16 | 119.6° | 120.0° |
| CAJ | CAL | CAM | 120.2° | 119.9° |
| CAJ | CAL | H14 | 119.9° | 120.0° |
| OBD | CAN | CAM | 122.7° | 119.9° |
| CAN | OBD | CBE | 123.9° | 118.0° |
| CAN | CAM | CAL | 120.4° | 120.1° |
| CAN | CAM | H15 | 119.8° | 120.0° |
| CAM | CAL | H14 | 119.9° | 120.0° |
| CAL | CAM | H15 | 119.8° | 120.0° |
| OBD | CBE | CBJ | 120.7° | 120.0° |
| OBD | CBE | CBF | 119.2° | 120.1° |
| CBJ | CBE | CBF | 120.1° | 119.9° |
| CBE | CBJ | CBI | 120.3° | 119.9° |
| CBE | CBJ | H18 | 119.9° | 120.0° |
| CBE | CBF | CBG | 119.8° | 120.0° |
| CBE | CBF | H22 | 120.1° | 120.0° |
| CBJ | CBI | CBH | 119.7° | 120.1° |
| CBI | CBJ | H18 | 119.8° | 120.0° |
| CBJ | CBI | H19 | 120.1° | 119.9° |
| CBF | CBG | CBH | 120.1° | 120.1° |
| CBF | CBG | H21 | 119.9° | 119.9° |
| CBG | CBF | H22 | 120.1° | 120.0° |
| CBI | CBH | CBG | 120.1° | 120.1° |
| CBH | CBI | H19 | 120.2° | 120.0° |
| CBI | CBH | H20 | 119.9° | 119.9° |
| CBG | CBH | H20 | 120.0° | 120.0° |
| CBH | CBG | H21 | 120.0° | 120.0° |
| H1 | NAK | H2 | 109.5° | 120.0° |
| H5 | CAV | H6 | 109.5° | 109.5° |
| H7 | CAU | H8 | 109.5° | 109.5° |
| H9 | CAS | H10 | 109.5° | 109.5° |
| H11 | CAR | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAV | CAQ | H5 | 120.1° | 119.9° |
| CAU | CAV | CAQ | H6 | 120.0° | 119.9° |
| CAV | CAU | OAT | H7 | 119.8° | 120.0° |
| CAV | CAU | OAT | H8 | 119.8° | 120.0° |
| CAV | CAU | OAT | CAS | 73.0° | 61.1° |
| CAU | CAV | CAQ | NAG | 131.6° | 176.9° |
| CAU | CAV | CAQ | CAR | 12.5° | 57.0° |
| CAU | CAV | CAQ | H4 | 107.5° | 63.0° |
| CAU | CAV | H5 | H6 | 119.8° | 120.2° |
| CAV | CAU | H7 | H8 | 120.6° | 120.0° |
| CAQ | CAV | CAU | OAT | 50.1° | 57.6° |
| CAV | CAQ | NAG | C4 | 115.1° | 120.5° |
| CAV | CAQ | NAG | CAR | 119.8° | 119.5° |
| CAV | CAQ | NAG | H4 | 120.6° | 120.3° |
| CAV | CAQ | CAR | H4 | 120.0° | 120.0° |
| CAV | CAQ | NAG | CAH | 63.8° | 59.6° |
| CAV | CAQ | CAR | CAS | 58.3° | 57.0° |
| CAQ | CAV | H5 | H6 | 119.8° | 120.1° |
| CAQ | CAV | CAU | H7 | 69.7° | 177.6° |
| CAQ | CAV | CAU | H8 | 169.9° | 62.4° |
| CAV | CAQ | CAR | H11 | 178.6° | 176.9° |
| CAV | CAQ | CAR | H12 | 62.1° | 62.9° |
| N3 | C2 | N1 | H3 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C2 | N3 | C4 | NAG | 179.2° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.1° |
| C2 | N1 | C6 | NAK | 179.9° | 179.7° |
| N3 | C4 | NAG | C5 | 179.6° | 180.0° |
| N3 | C4 | NAG | CAQ | 0.6° | 0.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | NAG | CAH | 179.7° | 180.0° |
| N3 | C4 | C5 | CAI | 179.7° | 179.8° |
| C4 | N3 | C2 | H3 | 179.7° | 180.0° |
| CAU | OAT | CAS | CAR | 25.0° | 61.1° |
| OAT | CAU | CAV | H5 | 70.0° | 62.3° |
| OAT | CAU | CAV | H6 | 170.1° | 177.5° |
| OAT | CAU | H7 | H8 | 120.6° | 120.0° |
| CAU | OAT | CAS | H9 | 95.1° | 178.9° |
| CAU | OAT | CAS | H10 | 145.2° | 58.8° |
| N1 | C6 | C5 | C4 | 0.4° | 0.1° |
| N1 | C6 | C5 | NAK | 179.6° | 179.8° |
| N1 | C6 | C5 | CAI | 179.3° | 179.8° |
| N1 | C6 | NAK | H1 | 0.0° | 179.8° |
| N1 | C6 | NAK | H2 | 120.0° | 0.1° |
| C6 | N1 | C2 | H3 | 180.0° | 179.9° |
| OAT | CAS | CAR | CAQ | 39.5° | 57.6° |
| OAT | CAS | CAR | H9 | 120.2° | 120.0° |
| OAT | CAS | CAR | H10 | 120.1° | 119.9° |
| CAS | OAT | CAU | H7 | 46.8° | 178.9° |
| CAS | OAT | CAU | H8 | 167.2° | 58.9° |
| OAT | CAS | H9 | H10 | 119.5° | 120.0° |
| OAT | CAS | CAR | H11 | 159.8° | 177.5° |
| OAT | CAS | CAR | H12 | 80.8° | 62.3° |
| C4 | NAG | CAQ | CAH | 178.9° | 179.9° |
| C4 | NAG | CAQ | CAR | 125.1° | 120.0° |
| NAG | C4 | C5 | C6 | 179.7° | 180.0° |
| NAG | C4 | C5 | CAI | 0.1° | 0.2° |
| C4 | NAG | CAH | CAI | 1.2° | 0.2° |
| C4 | NAG | CAQ | H4 | 5.5° | 0.2° |
| C4 | NAG | CAH | H13 | 178.8° | 180.0° |
| C5 | C4 | NAG | CAQ | 179.8° | 180.0° |
| C4 | C5 | C6 | CAI | 179.7° | 179.7° |
| C4 | C5 | C6 | NAK | 180.0° | 179.8° |
| C5 | C4 | NAG | CAH | 0.8° | 0.0° |
| C4 | C5 | CAI | CAH | 0.7° | 0.4° |
| C4 | C5 | CAI | CAJ | 178.3° | 179.8° |
| NAG | CAQ | CAR | H4 | 119.8° | 120.2° |
| CAQ | NAG | CAH | CAI | 179.7° | 179.7° |
| NAG | CAQ | CAR | CAS | 178.5° | 176.9° |
| NAG | CAQ | CAV | H5 | 108.4° | 56.9° |
| NAG | CAQ | CAV | H6 | 11.5° | 63.2° |
| NAG | CAQ | CAR | H11 | 61.2° | 63.3° |
| NAG | CAQ | CAR | H12 | 58.1° | 56.9° |
| CAQ | NAG | CAH | H13 | 0.3° | 0.0° |
| CAR | CAQ | NAG | CAH | 56.1° | 59.9° |
| CAQ | CAR | CAS | H11 | 120.3° | 119.9° |
| CAQ | CAR | CAS | H12 | 120.4° | 120.0° |
| CAR | CAQ | CAV | H5 | 132.5° | 62.9° |
| CAR | CAQ | CAV | H6 | 107.6° | 176.9° |
| CAQ | CAR | CAS | H9 | 159.7° | 177.6° |
| CAQ | CAR | CAS | H10 | 80.6° | 62.3° |
| CAQ | CAR | H11 | H12 | 119.1° | 120.2° |
| C6 | C5 | CAI | CAH | 179.6° | 179.9° |
| C6 | C5 | CAI | CAJ | 1.9° | 0.1° |
| C5 | C6 | NAK | H1 | 179.6° | 0.1° |
| C5 | C6 | NAK | H2 | 60.4° | 179.8° |
| NAK | C6 | C5 | CAI | 0.3° | 0.1° |
| C6 | NAK | H1 | H2 | 120.0° | 179.7° |
| NAG | CAH | CAI | C5 | 1.2° | 0.3° |
| NAG | CAH | CAI | H13 | 180.0° | 179.8° |
| NAG | CAH | CAI | CAJ | 179.0° | 179.8° |
| CAH | NAG | CAQ | H4 | 175.6° | 179.9° |
| C5 | CAI | CAJ | CAP | 53.3° | 50.3° |
| C5 | CAI | CAH | CAJ | 177.8° | 179.8° |
| C5 | CAI | CAJ | CAL | 130.9° | 129.9° |
| C5 | CAI | CAH | H13 | 178.8° | 179.9° |
| CAO | CAP | CAJ | H17 | 180.0° | 179.4° |
| CAO | CAP | CAJ | CAI | 178.6° | 179.7° |
| CAP | CAO | CAN | H16 | 180.0° | 179.6° |
| CAO | CAP | CAJ | CAL | 2.6° | 0.6° |
| CAP | CAO | CAN | OBD | 179.7° | 179.7° |
| CAP | CAO | CAN | CAM | 0.8° | 0.4° |
| CAP | CAJ | CAI | CAH | 124.0° | 129.9° |
| CAP | CAJ | CAI | CAL | 175.8° | 179.8° |
| CAJ | CAP | CAO | CAN | 1.9° | 0.6° |
| CAP | CAJ | CAL | CAM | 2.3° | 0.2° |
| CAP | CAJ | CAL | H14 | 177.7° | 179.7° |
| CAJ | CAP | CAO | H16 | 178.1° | 179.8° |
| CAH | CAI | CAJ | CAL | 51.8° | 49.9° |
| CAI | CAJ | CAL | CAM | 178.0° | 180.0° |
| CAJ | CAI | CAH | H13 | 1.0° | 0.0° |
| CAI | CAJ | CAL | H14 | 2.0° | 0.0° |
| CAI | CAJ | CAP | H17 | 1.4° | 0.3° |
| CAS | CAR | CAQ | H4 | 61.7° | 63.0° |
| CAR | CAS | H9 | H10 | 119.5° | 120.1° |
| CAS | CAR | H11 | H12 | 119.0° | 120.1° |
| CAO | CAN | OBD | CAM | 179.5° | 180.0° |
| CAO | CAN | CAM | CAL | 0.5° | 0.0° |
| CAO | CAN | OBD | CBE | 138.4° | 67.4° |
| CAO | CAN | CAM | H15 | 179.5° | 179.9° |
| CAN | CAO | CAP | H17 | 178.1° | 180.0° |
| CAJ | CAL | CAM | CAN | 1.2° | 0.1° |
| CAJ | CAL | CAM | H14 | 180.0° | 179.9° |
| CAJ | CAL | CAM | H15 | 178.8° | 180.0° |
| CAL | CAJ | CAP | H17 | 177.3° | 179.9° |
| OBD | CAN | CAM | CAL | 179.9° | 180.0° |
| CAN | OBD | CBE | CBJ | 47.5° | 6.1° |
| CAN | OBD | CBE | CBF | 132.0° | 174.2° |
| OBD | CAN | CAM | H15 | 0.1° | 0.0° |
| OBD | CAN | CAO | H16 | 0.2° | 0.1° |
| CAN | CAM | CAL | H15 | 180.0° | 179.9° |
| CAM | CAN | OBD | CBE | 41.1° | 112.6° |
| CAN | CAM | CAL | H14 | 178.8° | 180.0° |
| CAM | CAN | CAO | H16 | 179.2° | 180.0° |
| OBD | CBE | CBJ | CBF | 179.5° | 179.7° |
| OBD | CBE | CBJ | CBI | 179.8° | 180.0° |
| OBD | CBE | CBF | CBG | 179.8° | 179.7° |
| OBD | CBE | CBJ | H18 | 0.2° | 0.1° |
| OBD | CBE | CBF | H22 | 0.2° | 0.0° |
| CBE | CBJ | CBI | H18 | 180.0° | 179.8° |
| CBJ | CBE | CBF | CBG | 0.3° | 0.6° |
| CBE | CBJ | CBI | CBH | 0.1° | 0.1° |
| CBE | CBJ | CBI | H19 | 179.9° | 180.0° |
| CBJ | CBE | CBF | H22 | 179.7° | 179.7° |
| CBF | CBE | CBJ | CBI | 0.3° | 0.3° |
| CBE | CBF | CBG | H22 | 180.0° | 179.7° |
| CBE | CBF | CBG | CBH | 0.2° | 0.6° |
| CBF | CBE | CBJ | H18 | 179.7° | 179.8° |
| CBE | CBF | CBG | H21 | 179.8° | 179.7° |
| CBJ | CBI | CBH | H19 | 180.0° | 180.0° |
| CBJ | CBI | CBH | CBG | 0.0° | 0.0° |
| CBJ | CBI | CBH | H20 | 180.0° | 180.0° |
| CBF | CBG | CBH | CBI | 0.1° | 0.3° |
| CBF | CBG | CBH | H21 | 180.0° | 179.8° |
| CBF | CBG | CBH | H20 | 180.0° | 179.7° |
| CBI | CBH | CBG | H20 | 180.0° | 180.0° |
| CBH | CBI | CBJ | H18 | 179.9° | 179.9° |
| CBI | CBH | CBG | H21 | 180.0° | 180.0° |
| CBG | CBH | CBI | H19 | 180.0° | 180.0° |
| CBH | CBG | CBF | H22 | 179.8° | 179.7° |
| H4 | CAQ | CAV | H5 | 12.5° | 177.1° |
| H4 | CAQ | CAV | H6 | 132.4° | 57.0° |
| H4 | CAQ | CAR | H11 | 58.6° | 56.9° |
| H4 | CAQ | CAR | H12 | 178.0° | 177.1° |
| H5 | CAV | CAU | H7 | 170.2° | 57.7° |
| H5 | CAV | CAU | H8 | 49.8° | 177.7° |
| H6 | CAV | CAU | H7 | 50.3° | 62.5° |
| H6 | CAV | CAU | H8 | 70.1° | 57.5° |
| H9 | CAS | CAR | H11 | 80.0° | 62.5° |
| H9 | CAS | CAR | H12 | 39.3° | 57.6° |
| H10 | CAS | CAR | H11 | 39.7° | 57.6° |
| H10 | CAS | CAR | H12 | 159.0° | 177.7° |
| H14 | CAL | CAM | H15 | 1.2° | 0.1° |
| H16 | CAO | CAP | H17 | 1.9° | 0.4° |
| H18 | CBJ | CBI | H19 | 0.1° | 0.1° |
| H19 | CBI | CBH | H20 | 0.0° | 0.0° |
| H20 | CBH | CBG | H21 | 0.0° | 0.0° |
| H21 | CBG | CBF | H22 | 0.2° | 0.0° |
