HVV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAO | sing | 1.51Å | 1.51Å | |
| CAO | CAN | doub | 1.31Å | 1.51Å | |
| OAC | CAH | sing | 1.43Å | 1.41Å | |
| OAA | CAG | sing | 1.43Å | 1.41Å | |
| CAG | CAH | sing | 1.54Å | 1.51Å | |
| CAG | CAF | sing | 1.55Å | 1.59Å | |
| CAN | CAM | sing | 1.51Å | 1.46Å | |
| CAH | CAI | sing | 1.53Å | 1.55Å | |
| CAH | NAD | sing | 1.47Å | 1.53Å | |
| CAL | CAM | sing | 1.51Å | 1.54Å | |
| CAL | CAK | doub | 1.31Å | 1.44Å | |
| CAI | CAJ | sing | 1.53Å | 1.50Å | |
| CAJ | CAK | sing | 1.51Å | 1.49Å | |
| NAD | CAE | sing | 1.34Å | 1.31Å | |
| CAF | CAE | sing | 1.51Å | 1.43Å | |
| CAE | OAB | doub | 1.21Å | 1.26Å | |
| CAP | H1 | sing | 1.09Å | 1.10Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAP | H3 | sing | 1.09Å | 1.10Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H15 | sing | 1.09Å | 1.10Å | |
| OAC | H16 | sing | 0.97Å | 0.95Å | |
| NAD | H17 | sing | 0.97Å | 1.00Å | |
| CAF | H18 | sing | 1.09Å | 1.10Å | |
| CAF | H19 | sing | 1.09Å | 1.10Å | |
| CAG | H20 | sing | 1.09Å | 1.10Å | |
| OAA | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAO | CAN | 117.7° | 120.0° |
| CAO | CAP | H1 | 109.5° | 109.5° |
| CAO | CAP | H2 | 109.5° | 109.4° |
| CAO | CAP | H3 | 109.4° | 109.5° |
| CAP | CAO | H4 | 121.1° | 120.0° |
| CAO | CAN | CAM | 119.0° | 120.0° |
| CAN | CAO | H4 | 121.1° | 120.0° |
| CAO | CAN | H5 | 120.5° | 120.0° |
| OAC | CAH | CAG | 110.8° | 110.3° |
| OAC | CAH | CAI | 111.8° | 110.2° |
| OAC | CAH | NAD | 104.1° | 110.2° |
| CAH | OAC | H16 | 109.5° | 114.0° |
| OAA | CAG | CAH | 114.8° | 111.0° |
| OAA | CAG | CAF | 110.4° | 111.0° |
| OAA | CAG | H20 | 112.9° | 110.9° |
| CAG | OAA | H21 | 109.5° | 114.0° |
| CAH | CAG | CAF | 96.0° | 101.8° |
| CAG | CAH | CAI | 112.5° | 110.3° |
| CAG | CAH | NAD | 102.4° | 105.5° |
| CAH | CAG | H20 | 111.4° | 111.0° |
| CAG | CAF | CAE | 104.3° | 104.2° |
| CAG | CAF | H18 | 110.7° | 110.5° |
| CAG | CAF | H19 | 110.8° | 110.6° |
| CAF | CAG | H20 | 110.2° | 110.9° |
| CAN | CAM | CAL | 103.5° | 109.5° |
| CAM | CAN | H5 | 120.5° | 120.0° |
| CAN | CAM | H6 | 111.0° | 109.5° |
| CAN | CAM | H7 | 110.9° | 109.5° |
| CAI | CAH | NAD | 114.5° | 110.2° |
| CAH | CAI | CAJ | 108.0° | 109.5° |
| CAH | CAI | H14 | 109.9° | 109.4° |
| CAH | CAI | H15 | 109.8° | 109.5° |
| CAH | NAD | CAE | 109.3° | 111.3° |
| CAH | NAD | H17 | 125.4° | 124.4° |
| CAM | CAL | CAK | 114.8° | 120.0° |
| CAL | CAM | H6 | 110.9° | 109.4° |
| CAL | CAM | H7 | 111.0° | 109.4° |
| CAM | CAL | H8 | 122.6° | 120.0° |
| CAL | CAK | CAJ | 122.1° | 120.0° |
| CAK | CAL | H8 | 122.6° | 120.0° |
| CAL | CAK | H10 | 119.0° | 120.0° |
| CAI | CAJ | CAK | 101.1° | 109.5° |
| CAI | CAJ | H12 | 111.5° | 109.5° |
| CAI | CAJ | H13 | 111.5° | 109.5° |
| CAJ | CAI | H14 | 109.8° | 109.5° |
| CAJ | CAI | H15 | 109.9° | 109.5° |
| CAJ | CAK | H10 | 118.9° | 120.0° |
| CAK | CAJ | H12 | 111.5° | 109.4° |
| CAK | CAJ | H13 | 111.5° | 109.5° |
| NAD | CAE | CAF | 109.9° | 110.1° |
| NAD | CAE | OAB | 123.8° | 125.0° |
| CAE | NAD | H17 | 125.3° | 124.3° |
| CAF | CAE | OAB | 126.3° | 125.0° |
| CAE | CAF | H18 | 110.8° | 110.5° |
| CAE | CAF | H19 | 110.7° | 110.5° |
| H1 | CAP | H2 | 109.5° | 109.4° |
| H1 | CAP | H3 | 109.5° | 109.5° |
| H2 | CAP | H3 | 109.5° | 109.5° |
| H6 | CAM | H7 | 109.4° | 109.4° |
| H12 | CAJ | H13 | 109.5° | 109.5° |
| H14 | CAI | H15 | 109.5° | 109.5° |
| H18 | CAF | H19 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAO | CAN | H4 | 180.0° | 180.0° |
| CAP | CAO | CAN | CAM | 177.6° | 180.0° |
| CAO | CAP | H1 | H2 | 120.0° | 119.9° |
| CAO | CAP | H1 | H3 | 120.0° | 120.1° |
| CAO | CAP | H2 | H3 | 120.0° | 120.0° |
| CAP | CAO | CAN | H5 | 2.4° | 0.0° |
| CAO | CAN | CAM | H5 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 104.3° | 125.0° |
| CAN | CAO | CAP | H1 | 180.0° | 180.0° |
| CAN | CAO | CAP | H2 | 60.0° | 60.1° |
| CAN | CAO | CAP | H3 | 60.0° | 60.0° |
| CAO | CAN | CAM | H6 | 14.7° | 115.0° |
| CAO | CAN | CAM | H7 | 136.6° | 5.0° |
| OAC | CAH | CAG | OAA | 95.8° | 148.3° |
| OAC | CAH | CAG | CAI | 126.0° | 122.0° |
| OAC | CAH | CAG | NAD | 110.6° | 119.0° |
| OAC | CAH | CAG | CAF | 148.5° | 93.6° |
| OAC | CAH | CAI | NAD | 118.1° | 121.9° |
| OAC | CAH | CAI | CAJ | 55.7° | 60.4° |
| OAC | CAH | NAD | CAE | 142.2° | 102.0° |
| OAC | CAH | CAI | H14 | 175.5° | 59.6° |
| OAC | CAH | CAI | H15 | 64.0° | 179.5° |
| OAC | CAH | NAD | H17 | 37.8° | 77.9° |
| OAC | CAH | CAG | H20 | 34.0° | 24.5° |
| OAA | CAG | CAH | CAF | 115.7° | 118.1° |
| OAA | CAG | CAH | H20 | 129.8° | 123.8° |
| OAA | CAG | CAF | H20 | 125.3° | 123.7° |
| OAA | CAG | CAH | CAI | 30.1° | 26.3° |
| OAA | CAG | CAH | NAD | 153.6° | 92.7° |
| OAA | CAG | CAF | CAE | 159.0° | 93.3° |
| OAA | CAG | CAF | H18 | 81.8° | 25.4° |
| OAA | CAG | CAF | H19 | 39.8° | 147.9° |
| CAH | CAG | CAF | H20 | 115.4° | 118.1° |
| CAG | CAH | CAI | NAD | 116.4° | 116.0° |
| CAG | CAH | CAI | CAJ | 178.8° | 177.5° |
| CAG | CAH | NAD | CAE | 26.7° | 17.1° |
| CAH | CAG | CAF | CAE | 39.7° | 24.8° |
| CAG | CAH | CAI | H14 | 59.1° | 62.5° |
| CAG | CAH | CAI | H15 | 61.4° | 57.5° |
| CAG | CAH | OAC | H16 | 180.0° | 178.7° |
| CAG | CAH | NAD | H17 | 153.4° | 163.0° |
| CAH | CAG | CAF | H18 | 158.9° | 143.5° |
| CAH | CAG | CAF | H19 | 79.4° | 93.9° |
| CAH | CAG | OAA | H21 | 180.0° | 180.0° |
| CAF | CAG | CAH | CAI | 85.6° | 144.4° |
| CAF | CAG | CAH | NAD | 37.9° | 25.4° |
| CAG | CAF | CAE | NAD | 26.2° | 16.2° |
| CAG | CAF | CAE | H18 | 119.2° | 118.7° |
| CAG | CAF | CAE | H19 | 119.2° | 118.8° |
| CAG | CAF | CAE | OAB | 153.6° | 163.8° |
| CAG | CAF | H18 | H19 | 122.4° | 122.6° |
| CAF | CAG | OAA | H21 | 72.8° | 67.6° |
| CAN | CAM | CAL | H6 | 119.1° | 120.0° |
| CAN | CAM | CAL | H7 | 119.1° | 120.0° |
| CAN | CAM | CAL | CAK | 172.3° | 125.0° |
| CAM | CAN | CAO | H4 | 2.4° | 0.0° |
| CAN | CAM | H6 | H7 | 122.7° | 120.1° |
| CAN | CAM | CAL | H8 | 7.7° | 55.0° |
| CAH | CAI | CAJ | H14 | 119.8° | 120.0° |
| CAH | CAI | CAJ | H15 | 119.7° | 120.0° |
| CAH | CAI | CAJ | CAK | 177.4° | 180.0° |
| CAI | CAH | NAD | CAE | 95.4° | 136.1° |
| CAH | CAI | CAJ | H12 | 58.8° | 60.0° |
| CAH | CAI | CAJ | H13 | 63.9° | 60.0° |
| CAH | CAI | H14 | H15 | 120.7° | 120.0° |
| CAI | CAH | OAC | H16 | 53.6° | 59.3° |
| CAI | CAH | NAD | H17 | 84.5° | 44.0° |
| CAI | CAH | CAG | H20 | 159.9° | 97.5° |
| NAD | CAH | CAI | CAJ | 62.4° | 61.5° |
| CAH | NAD | CAE | H17 | 180.0° | 179.9° |
| CAH | NAD | CAE | CAF | 0.4° | 0.5° |
| CAH | NAD | CAE | OAB | 179.4° | 179.6° |
| NAD | CAH | CAI | H14 | 57.4° | 178.5° |
| NAD | CAH | CAI | H15 | 177.9° | 58.6° |
| NAD | CAH | OAC | H16 | 70.5° | 62.6° |
| NAD | CAH | CAG | H20 | 76.6° | 143.5° |
| CAM | CAL | CAK | H8 | 180.0° | 180.0° |
| CAM | CAL | CAK | CAJ | 178.3° | 180.0° |
| CAL | CAM | CAN | H5 | 75.7° | 55.0° |
| CAL | CAM | H6 | H7 | 122.7° | 119.9° |
| CAM | CAL | CAK | H10 | 1.7° | 0.1° |
| CAL | CAK | CAJ | CAI | 120.9° | 125.0° |
| CAL | CAK | CAJ | H10 | 180.0° | 179.9° |
| CAK | CAL | CAM | H6 | 68.7° | 5.0° |
| CAK | CAL | CAM | H7 | 53.2° | 114.9° |
| CAL | CAK | CAJ | H12 | 2.3° | 115.0° |
| CAL | CAK | CAJ | H13 | 120.4° | 4.9° |
| CAI | CAJ | CAK | H12 | 118.6° | 120.0° |
| CAI | CAJ | CAK | H13 | 118.7° | 120.0° |
| CAI | CAJ | CAK | H10 | 59.1° | 54.9° |
| CAI | CAJ | H12 | H13 | 123.9° | 120.0° |
| CAJ | CAI | H14 | H15 | 120.7° | 120.0° |
| CAJ | CAK | CAL | H8 | 1.7° | 0.0° |
| CAK | CAJ | H12 | H13 | 123.9° | 120.0° |
| CAK | CAJ | CAI | H14 | 62.8° | 60.0° |
| CAK | CAJ | CAI | H15 | 57.7° | 60.0° |
| NAD | CAE | CAF | OAB | 179.8° | 180.0° |
| NAD | CAE | CAF | H18 | 145.3° | 134.9° |
| NAD | CAE | CAF | H19 | 93.0° | 102.6° |
| CAF | CAE | NAD | H17 | 179.5° | 179.6° |
| CAE | CAF | H18 | H19 | 122.4° | 122.6° |
| CAE | CAF | CAG | H20 | 75.7° | 142.9° |
| OAB | CAE | NAD | H17 | 0.7° | 0.3° |
| OAB | CAE | CAF | H18 | 34.5° | 45.1° |
| OAB | CAE | CAF | H19 | 87.2° | 77.5° |
| H1 | CAP | H2 | H3 | 120.0° | 120.0° |
| H1 | CAP | CAO | H4 | 0.0° | 0.1° |
| H2 | CAP | CAO | H4 | 120.0° | 120.0° |
| H3 | CAP | CAO | H4 | 120.0° | 120.0° |
| H4 | CAO | CAN | H5 | 177.6° | 180.0° |
| H5 | CAN | CAM | H6 | 165.3° | 65.0° |
| H5 | CAN | CAM | H7 | 43.4° | 175.0° |
| H6 | CAM | CAL | H8 | 111.4° | 175.0° |
| H7 | CAM | CAL | H8 | 126.8° | 65.1° |
| H8 | CAL | CAK | H10 | 178.3° | 179.9° |
| H10 | CAK | CAJ | H12 | 177.7° | 65.1° |
| H10 | CAK | CAJ | H13 | 59.6° | 175.0° |
| H12 | CAJ | CAI | H14 | 178.6° | 180.0° |
| H12 | CAJ | CAI | H15 | 60.9° | 60.0° |
| H13 | CAJ | CAI | H14 | 55.9° | 60.0° |
| H13 | CAJ | CAI | H15 | 176.3° | 180.0° |
| H18 | CAF | CAG | H20 | 43.5° | 98.3° |
| H19 | CAF | CAG | H20 | 165.1° | 24.2° |
| H20 | CAG | OAA | H21 | 51.0° | 56.2° |
