V3X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG1 | CB | sing | 1.53Å | 1.52Å | |
| NAG | CAH | sing | 1.37Å | 1.37Å | Aromatic |
| NAG | CAD | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAI | doub | 1.34Å | 1.36Å | Aromatic |
| O | C | doub | 1.21Å | 1.23Å | |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAE | doub | 1.41Å | 1.41Å | Aromatic |
| CB | CG2 | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | NAM | sing | 1.35Å | 1.34Å | |
| CAI | CAE | sing | 1.47Å | 1.44Å | Aromatic |
| CAI | CAJ | sing | 1.51Å | 1.50Å | |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CA | S1 | sing | 1.81Å | 1.82Å | |
| CAE | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | NAM | sing | 1.47Å | 1.45Å | |
| CAK | CAJ | sing | 1.53Å | 1.54Å | |
| CAK | CAL | sing | 1.53Å | 1.52Å | |
| CAA | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | F1 | sing | 1.35Å | 1.34Å | |
| CAL | OAV | sing | 1.43Å | 1.41Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CG1 | H3 | sing | 1.09Å | 1.10Å | |
| CG1 | H4 | sing | 1.09Å | 1.10Å | |
| CG1 | H5 | sing | 1.09Å | 1.10Å | |
| CG2 | H6 | sing | 1.09Å | 1.10Å | |
| CG2 | H7 | sing | 1.09Å | 1.10Å | |
| CG2 | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| CAC | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAL | H16 | sing | 1.09Å | 1.10Å | |
| CAL | H17 | sing | 1.09Å | 1.10Å | |
| NAG | H18 | sing | 0.97Å | 1.00Å | |
| NAM | H19 | sing | 0.97Å | 1.00Å | |
| OAV | H20 | sing | 0.97Å | 0.95Å | |
| S1 | H21 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG1 | CB | CG2 | 110.5° | 109.5° |
| CG1 | CB | CA | 110.9° | 109.5° |
| CG1 | CB | H2 | 108.2° | 109.5° |
| CB | CG1 | H3 | 109.5° | 109.5° |
| CB | CG1 | H4 | 109.5° | 109.5° |
| CB | CG1 | H5 | 109.5° | 109.4° |
| CAH | NAG | CAD | 109.0° | 109.8° |
| NAG | CAH | CAI | 110.4° | 109.9° |
| NAG | CAH | H12 | 124.8° | 125.1° |
| CAH | NAG | H18 | 125.5° | 125.1° |
| NAG | CAD | CAC | 130.6° | 133.3° |
| NAG | CAD | CAE | 107.4° | 107.2° |
| CAD | NAG | H18 | 125.5° | 125.1° |
| CAH | CAI | CAE | 106.1° | 106.9° |
| CAH | CAI | CAJ | 127.1° | 126.5° |
| CAI | CAH | H12 | 124.8° | 125.0° |
| O | C | CA | 119.6° | 120.0° |
| O | C | NAM | 122.7° | 120.0° |
| CAD | CAC | CAB | 117.7° | 119.9° |
| CAC | CAD | CAE | 121.9° | 119.5° |
| CAD | CAC | H11 | 121.2° | 120.1° |
| CAC | CAB | CAA | 121.5° | 120.7° |
| CAC | CAB | H10 | 119.2° | 119.6° |
| CAB | CAC | H11 | 121.1° | 120.0° |
| CAD | CAE | CAI | 107.0° | 106.1° |
| CAD | CAE | CAF | 118.7° | 120.0° |
| CG2 | CB | CA | 110.8° | 109.4° |
| CG2 | CB | H2 | 108.3° | 109.5° |
| CB | CG2 | H6 | 109.5° | 109.5° |
| CB | CG2 | H7 | 109.5° | 109.4° |
| CB | CG2 | H8 | 109.4° | 109.5° |
| CB | CA | C | 112.8° | 109.4° |
| CB | CA | S1 | 112.1° | 109.4° |
| CB | CA | H1 | 106.6° | 109.5° |
| CA | CB | H2 | 108.0° | 109.4° |
| CA | C | NAM | 117.7° | 120.0° |
| C | CA | S1 | 113.9° | 109.5° |
| C | CA | H1 | 106.7° | 109.5° |
| C | NAM | CAK | 123.5° | 120.0° |
| C | NAM | H19 | 118.3° | 120.0° |
| CAE | CAI | CAJ | 126.8° | 126.5° |
| CAI | CAE | CAF | 134.3° | 133.9° |
| CAI | CAJ | CAK | 114.3° | 109.5° |
| CAI | CAJ | H13 | 108.3° | 109.5° |
| CAI | CAJ | H14 | 108.3° | 109.5° |
| CAB | CAA | CAF | 120.7° | 120.3° |
| CAB | CAA | H9 | 119.6° | 119.8° |
| CAA | CAB | H10 | 119.3° | 119.7° |
| S1 | CA | H1 | 104.0° | 109.5° |
| CA | S1 | H21 | 102.0° | 103.0° |
| CAE | CAF | CAA | 119.4° | 119.6° |
| CAE | CAF | F1 | 121.3° | 120.3° |
| NAM | CAK | CAJ | 110.4° | 109.4° |
| NAM | CAK | CAL | 109.4° | 109.5° |
| NAM | CAK | H15 | 109.6° | 109.5° |
| CAK | NAM | H19 | 118.2° | 120.0° |
| CAJ | CAK | CAL | 110.3° | 109.5° |
| CAK | CAJ | H13 | 108.3° | 109.5° |
| CAK | CAJ | H14 | 108.2° | 109.5° |
| CAJ | CAK | H15 | 108.5° | 109.5° |
| CAK | CAL | OAV | 112.2° | 109.5° |
| CAL | CAK | H15 | 108.7° | 109.5° |
| CAK | CAL | H16 | 108.8° | 109.5° |
| CAK | CAL | H17 | 108.8° | 109.5° |
| CAA | CAF | F1 | 119.3° | 120.2° |
| CAF | CAA | H9 | 119.6° | 119.9° |
| OAV | CAL | H16 | 108.8° | 109.4° |
| OAV | CAL | H17 | 108.8° | 109.4° |
| CAL | OAV | H20 | 109.5° | 114.0° |
| H3 | CG1 | H4 | 109.4° | 109.5° |
| H3 | CG1 | H5 | 109.5° | 109.5° |
| H4 | CG1 | H5 | 109.5° | 109.4° |
| H6 | CG2 | H7 | 109.5° | 109.4° |
| H6 | CG2 | H8 | 109.5° | 109.6° |
| H7 | CG2 | H8 | 109.5° | 109.5° |
| H13 | CAJ | H14 | 109.5° | 109.5° |
| H16 | CAL | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG1 | CB | CG2 | CA | 123.4° | 120.0° |
| CG1 | CB | CG2 | H2 | 118.3° | 120.0° |
| CG1 | CB | CA | H2 | 118.5° | 120.0° |
| CG1 | CB | CA | C | 61.6° | 60.0° |
| CG1 | CB | CA | S1 | 168.3° | 180.0° |
| CG1 | CB | CA | H1 | 55.2° | 60.0° |
| CB | CG1 | H3 | H4 | 120.0° | 120.0° |
| CB | CG1 | H3 | H5 | 120.0° | 120.0° |
| CB | CG1 | H4 | H5 | 120.0° | 120.0° |
| CG1 | CB | CG2 | H6 | 180.0° | 174.3° |
| CG1 | CB | CG2 | H7 | 60.0° | 54.3° |
| CG1 | CB | CG2 | H8 | 60.0° | 65.6° |
| CAH | NAG | CAD | H18 | 180.0° | 180.0° |
| NAG | CAH | CAI | H12 | 180.0° | 180.0° |
| CAH | NAG | CAD | CAC | 180.0° | 180.0° |
| CAH | NAG | CAD | CAE | 0.0° | 0.0° |
| NAG | CAH | CAI | CAE | 0.1° | 0.1° |
| NAG | CAH | CAI | CAJ | 179.9° | 180.0° |
| CAD | NAG | CAH | CAI | 0.1° | 0.1° |
| NAG | CAD | CAC | CAE | 180.0° | 179.9° |
| NAG | CAD | CAC | CAB | 180.0° | 180.0° |
| NAG | CAD | CAE | CAI | 0.1° | 0.0° |
| NAG | CAD | CAE | CAF | 179.9° | 180.0° |
| NAG | CAD | CAC | H11 | 0.0° | 0.1° |
| CAD | NAG | CAH | H12 | 180.0° | 180.0° |
| CAH | CAI | CAE | CAD | 0.1° | 0.0° |
| CAH | CAI | CAE | CAJ | 179.8° | 179.9° |
| CAH | CAI | CAE | CAF | 179.9° | 180.0° |
| CAH | CAI | CAJ | CAK | 22.8° | 95.1° |
| CAH | CAI | CAJ | H13 | 97.9° | 24.9° |
| CAH | CAI | CAJ | H14 | 143.5° | 144.9° |
| CAI | CAH | NAG | H18 | 180.0° | 180.0° |
| O | C | CA | CB | 72.6° | 35.6° |
| O | C | CA | NAM | 178.7° | 179.9° |
| O | C | CA | S1 | 158.2° | 84.3° |
| O | C | NAM | CAK | 1.4° | 0.1° |
| O | C | CA | H1 | 44.1° | 155.6° |
| O | C | NAM | H19 | 178.7° | 180.0° |
| CAD | CAC | CAB | H11 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAI | 179.9° | 180.0° |
| CAD | CAC | CAB | CAA | 0.0° | 0.0° |
| CAC | CAD | CAE | CAF | 0.2° | 0.0° |
| CAD | CAC | CAB | H10 | 180.0° | 180.0° |
| CAC | CAD | NAG | H18 | 0.0° | 0.0° |
| CAB | CAC | CAD | CAE | 0.1° | 0.0° |
| CAC | CAB | CAA | H10 | 180.0° | 179.9° |
| CAC | CAB | CAA | CAF | 0.0° | 0.0° |
| CAC | CAB | CAA | H9 | 180.0° | 179.7° |
| CAD | CAE | CAI | CAF | 179.7° | 180.0° |
| CAD | CAE | CAI | CAJ | 179.9° | 180.0° |
| CAD | CAE | CAF | CAA | 0.2° | 0.0° |
| CAD | CAE | CAF | F1 | 179.9° | 179.7° |
| CAE | CAD | CAC | H11 | 179.9° | 180.0° |
| CAE | CAD | NAG | H18 | 179.9° | 180.0° |
| CG2 | CB | CA | H2 | 118.4° | 120.0° |
| CG2 | CB | CA | C | 61.5° | 180.0° |
| CG2 | CB | CA | S1 | 68.6° | 60.0° |
| CG2 | CB | CA | H1 | 178.3° | 60.0° |
| CG2 | CB | CG1 | H3 | 180.0° | 60.0° |
| CG2 | CB | CG1 | H4 | 60.0° | 179.9° |
| CG2 | CB | CG1 | H5 | 60.0° | 60.0° |
| CB | CG2 | H6 | H7 | 120.0° | 119.9° |
| CB | CG2 | H6 | H8 | 120.0° | 120.1° |
| CB | CG2 | H7 | H8 | 120.0° | 120.0° |
| CB | CA | C | S1 | 129.2° | 120.0° |
| CB | CA | C | H1 | 116.7° | 120.0° |
| CB | CA | C | NAM | 106.1° | 144.5° |
| CB | CA | S1 | H1 | 114.7° | 120.0° |
| CA | CB | CG1 | H3 | 56.7° | 180.0° |
| CA | CB | CG1 | H4 | 176.7° | 60.0° |
| CA | CB | CG1 | H5 | 63.3° | 60.0° |
| CA | CB | CG2 | H6 | 56.6° | 65.7° |
| CA | CB | CG2 | H7 | 63.4° | 174.4° |
| CA | CB | CG2 | H8 | 176.6° | 54.4° |
| CB | CA | S1 | H21 | 180.0° | 60.0° |
| C | CA | S1 | H1 | 115.7° | 120.0° |
| CA | C | NAM | CAK | 177.3° | 180.0° |
| C | CA | CB | H2 | 179.9° | 60.0° |
| CA | C | NAM | H19 | 2.6° | 0.1° |
| C | CA | S1 | H21 | 50.4° | 59.9° |
| NAM | C | CA | S1 | 23.1° | 95.6° |
| C | NAM | CAK | H19 | 180.0° | 179.9° |
| C | NAM | CAK | CAJ | 120.0° | 155.0° |
| C | NAM | CAK | CAL | 118.5° | 84.9° |
| NAM | C | CA | H1 | 137.2° | 24.5° |
| C | NAM | CAK | H15 | 0.6° | 35.1° |
| CAE | CAI | CAJ | CAK | 156.9° | 85.0° |
| CAI | CAE | CAF | CAA | 179.9° | 180.0° |
| CAI | CAE | CAF | F1 | 0.4° | 0.3° |
| CAE | CAI | CAH | H12 | 179.9° | 180.0° |
| CAE | CAI | CAJ | H13 | 82.4° | 155.0° |
| CAE | CAI | CAJ | H14 | 36.2° | 35.0° |
| CAJ | CAI | CAE | CAF | 0.4° | 0.1° |
| CAI | CAJ | CAK | NAM | 65.9° | 65.0° |
| CAI | CAJ | CAK | H13 | 120.7° | 120.0° |
| CAI | CAJ | CAK | H14 | 120.7° | 120.0° |
| CAI | CAJ | CAK | CAL | 173.1° | 175.0° |
| CAJ | CAI | CAH | H12 | 0.2° | 0.1° |
| CAI | CAJ | H13 | H14 | 117.8° | 120.0° |
| CAI | CAJ | CAK | H15 | 54.2° | 55.0° |
| CAB | CAA | CAF | CAE | 0.1° | 0.0° |
| CAB | CAA | CAF | H9 | 180.0° | 179.7° |
| CAB | CAA | CAF | F1 | 179.9° | 179.7° |
| CAA | CAB | CAC | H11 | 180.0° | 180.0° |
| S1 | CA | CB | H2 | 49.8° | 60.0° |
| CAE | CAF | CAA | F1 | 179.8° | 179.7° |
| CAE | CAF | CAA | H9 | 179.9° | 179.7° |
| NAM | CAK | CAJ | CAL | 121.0° | 120.0° |
| NAM | CAK | CAJ | H15 | 120.1° | 120.0° |
| NAM | CAK | CAL | H15 | 119.6° | 120.0° |
| NAM | CAK | CAL | OAV | 56.0° | 65.0° |
| NAM | CAK | CAJ | H13 | 173.4° | 175.0° |
| NAM | CAK | CAJ | H14 | 54.9° | 55.0° |
| NAM | CAK | CAL | H16 | 64.4° | 55.0° |
| NAM | CAK | CAL | H17 | 176.4° | 175.0° |
| CAJ | CAK | CAL | H15 | 118.8° | 120.0° |
| CAJ | CAK | CAL | OAV | 65.6° | 55.0° |
| CAK | CAJ | H13 | H14 | 117.8° | 120.0° |
| CAJ | CAK | CAL | H16 | 174.0° | 175.0° |
| CAJ | CAK | CAL | H17 | 54.8° | 65.0° |
| CAJ | CAK | NAM | H19 | 60.0° | 25.0° |
| CAK | CAL | OAV | H16 | 120.4° | 120.0° |
| CAK | CAL | OAV | H17 | 120.4° | 120.0° |
| CAL | CAK | CAJ | H13 | 52.4° | 55.0° |
| CAL | CAK | CAJ | H14 | 66.1° | 65.0° |
| CAK | CAL | H16 | H17 | 118.7° | 120.0° |
| CAL | CAK | NAM | H19 | 61.6° | 95.0° |
| CAK | CAL | OAV | H20 | 180.0° | 180.0° |
| CAF | CAA | CAB | H10 | 180.0° | 180.0° |
| F1 | CAF | CAA | H9 | 0.1° | 0.0° |
| OAV | CAL | CAK | H15 | 175.6° | 175.0° |
| OAV | CAL | H16 | H17 | 118.8° | 119.9° |
| H1 | CA | CB | H2 | 63.3° | 180.0° |
| H1 | CA | S1 | H21 | 65.3° | 179.9° |
| H2 | CB | CG1 | H3 | 61.6° | 60.1° |
| H2 | CB | CG1 | H4 | 58.4° | 60.0° |
| H2 | CB | CG1 | H5 | 178.3° | 180.0° |
| H2 | CB | CG2 | H6 | 61.7° | 54.2° |
| H2 | CB | CG2 | H7 | 178.3° | 65.7° |
| H2 | CB | CG2 | H8 | 58.3° | 174.3° |
| H3 | CG1 | H4 | H5 | 120.0° | 120.0° |
| H6 | CG2 | H7 | H8 | 120.0° | 120.1° |
| H9 | CAA | CAB | H10 | 0.0° | 0.3° |
| H10 | CAB | CAC | H11 | 0.0° | 0.0° |
| H12 | CAH | NAG | H18 | 0.0° | 0.0° |
| H13 | CAJ | CAK | H15 | 66.5° | 65.0° |
| H14 | CAJ | CAK | H15 | 175.0° | 175.0° |
| H15 | CAK | CAL | H16 | 55.2° | 65.0° |
| H15 | CAK | CAL | H17 | 63.9° | 55.0° |
| H15 | CAK | NAM | H19 | 179.4° | 145.0° |
| H16 | CAL | OAV | H20 | 59.5° | 59.9° |
| H17 | CAL | OAV | H20 | 59.6° | 60.0° |
