V7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBD | CBC | doub | 1.21Å | 1.25Å | |
| OBC | CBC | sing | 1.34Å | 1.26Å | |
| CBC | CBA | sing | 1.51Å | 1.54Å | |
| OAX | CAZ | doub | 1.21Å | 1.24Å | |
| CBA | NBA | sing | 1.47Å | 1.50Å | |
| CAZ | NBA | sing | 1.35Å | 1.35Å | |
| CAZ | CAM | sing | 1.51Å | 1.53Å | |
| OAL | PAI | sing | 1.61Å | 1.63Å | |
| OAL | CAM | sing | 1.43Å | 1.44Å | |
| CAP | CAM | sing | 1.53Å | 1.55Å | |
| CAP | CAQ | sing | 1.53Å | 1.54Å | |
| PAI | OAK | sing | 1.61Å | 1.54Å | |
| PAI | CAH | sing | 1.82Å | 1.79Å | |
| CAH | CAG | sing | 1.53Å | 1.54Å | |
| CAG | CAB | sing | 1.53Å | 1.55Å | |
| NAE | CAB | sing | 1.47Å | 1.46Å | |
| OAD | CAA | doub | 1.21Å | 1.26Å | |
| CAB | CAA | sing | 1.51Å | 1.52Å | |
| CAB | NAF | sing | 1.47Å | 1.47Å | |
| CAA | OAC | sing | 1.34Å | 1.26Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| NAE | H2 | sing | 1.01Å | 1.00Å | |
| NAF | H5 | sing | 1.01Å | 1.00Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAQ | H16 | sing | 1.09Å | 1.10Å | |
| CAQ | H17 | sing | 1.09Å | 1.10Å | |
| CAQ | H18 | sing | 1.09Å | 1.10Å | |
| NBA | H19 | sing | 0.97Å | 1.00Å | |
| CBA | H20 | sing | 1.09Å | 1.10Å | |
| CBA | H21 | sing | 1.09Å | 1.10Å | |
| OBC | H22 | sing | 0.97Å | 0.95Å | |
| OAK | C1 | sing | 1.36Å | 36.32Å | |
| C1 | C2 | sing | 1.39Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 0.00Å | Aromatic |
| NAE | H3 | sing | 1.01Å | 1.00Å | |
| NAF | H4 | sing | 1.01Å | 1.00Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 0.00Å | |
| C3 | H12 | sing | 1.08Å | 0.00Å | |
| C4 | H13 | sing | 1.08Å | 0.00Å | |
| C5 | H23 | sing | 1.08Å | 0.00Å | |
| C6 | H24 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBD | CBC | OBC | 125.8° | 120.0° |
| OBD | CBC | CBA | 117.3° | 120.0° |
| OBC | CBC | CBA | 116.9° | 120.0° |
| CBC | OBC | H22 | 109.5° | 117.0° |
| CBC | CBA | NBA | 107.8° | 109.5° |
| CBC | CBA | H20 | 109.9° | 109.5° |
| CBC | CBA | H21 | 109.9° | 109.4° |
| OAX | CAZ | NBA | 123.7° | 120.0° |
| OAX | CAZ | CAM | 121.4° | 120.0° |
| CBA | NBA | CAZ | 119.4° | 120.0° |
| CBA | NBA | H19 | 120.3° | 120.0° |
| NBA | CBA | H20 | 109.9° | 109.5° |
| NBA | CBA | H21 | 109.9° | 109.5° |
| NBA | CAZ | CAM | 114.7° | 120.0° |
| CAZ | NBA | H19 | 120.3° | 120.1° |
| CAZ | CAM | OAL | 109.7° | 109.5° |
| CAZ | CAM | CAP | 106.1° | 109.4° |
| CAZ | CAM | H10 | 110.4° | 109.5° |
| PAI | OAL | CAM | 121.5° | 123.0° |
| OAL | PAI | OAK | 112.9° | 102.0° |
| OAL | PAI | CAH | 106.0° | 102.0° |
| OAL | CAM | CAP | 108.4° | 109.4° |
| OAL | CAM | H10 | 111.7° | 109.5° |
| CAM | CAP | CAQ | 107.8° | 109.5° |
| CAM | CAP | H14 | 109.9° | 109.5° |
| CAM | CAP | H15 | 109.9° | 109.5° |
| CAP | CAM | H10 | 110.2° | 109.4° |
| CAQ | CAP | H14 | 109.9° | 109.5° |
| CAQ | CAP | H15 | 109.9° | 109.4° |
| CAP | CAQ | H16 | 109.5° | 109.5° |
| CAP | CAQ | H17 | 109.5° | 109.5° |
| CAP | CAQ | H18 | 109.5° | 109.5° |
| OAK | PAI | CAH | 114.1° | 102.0° |
| PAI | OAK | C1 | 160.3° | 114.0° |
| PAI | CAH | CAG | 107.4° | 109.5° |
| PAI | CAH | H8 | 110.0° | 109.5° |
| PAI | CAH | H9 | 110.0° | 109.5° |
| CAH | CAG | CAB | 109.1° | 109.5° |
| CAH | CAG | H6 | 109.6° | 109.5° |
| CAH | CAG | H7 | 109.6° | 109.5° |
| CAG | CAH | H8 | 110.0° | 109.5° |
| CAG | CAH | H9 | 110.0° | 109.5° |
| CAG | CAB | NAE | 114.7° | 109.5° |
| CAG | CAB | CAA | 109.0° | 109.5° |
| CAG | CAB | NAF | 114.8° | 109.5° |
| CAB | CAG | H6 | 109.5° | 109.5° |
| CAB | CAG | H7 | 109.6° | 109.4° |
| NAE | CAB | CAA | 107.7° | 109.4° |
| NAE | CAB | NAF | 96.8° | 109.4° |
| CAB | NAE | H2 | 109.5° | 111.0° |
| CAB | NAE | H3 | 109.5° | 111.0° |
| OAD | CAA | CAB | 115.9° | 120.1° |
| OAD | CAA | OAC | 128.0° | 120.0° |
| CAA | CAB | NAF | 113.3° | 109.5° |
| CAB | CAA | OAC | 115.4° | 120.0° |
| CAB | NAF | H5 | 109.5° | 110.9° |
| CAB | NAF | H4 | 109.5° | 111.0° |
| CAA | OAC | H1 | 109.5° | 117.0° |
| H2 | NAE | H3 | 109.4° | 111.0° |
| H5 | NAF | H4 | 109.4° | 111.0° |
| H14 | CAP | H15 | 109.5° | 109.5° |
| H16 | CAQ | H17 | 109.5° | 109.5° |
| H16 | CAQ | H18 | 109.4° | 109.4° |
| H17 | CAQ | H18 | 109.5° | 109.5° |
| H20 | CBA | H21 | 109.5° | 109.5° |
| OAK | C1 | C2 | 90.0° | 120.1° |
| OAK | C1 | C6 | 90.0° | 120.1° |
| C1 | C2 | C3 | 90.0° | 119.9° |
| C2 | C1 | C6 | 90.0° | 119.9° |
| C1 | C2 | H11 | 90.0° | 120.0° |
| C2 | C3 | C4 | 90.0° | 120.1° |
| C3 | C2 | H11 | 90.0° | 120.1° |
| C2 | C3 | H12 | 90.0° | 119.9° |
| C3 | C4 | C5 | 90.0° | 120.1° |
| C4 | C3 | H12 | 90.0° | 120.0° |
| C3 | C4 | H13 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.1° |
| C5 | C4 | H13 | 90.0° | 119.9° |
| C4 | C5 | H23 | 90.0° | 120.0° |
| C5 | C6 | C1 | 90.0° | 119.9° |
| C6 | C5 | H23 | 90.0° | 119.9° |
| C5 | C6 | H24 | 90.0° | 120.0° |
| C1 | C6 | H24 | 90.0° | 120.0° |
| H6 | CAG | H7 | 109.5° | 109.5° |
| H8 | CAH | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBD | CBC | OBC | CBA | 180.0° | 180.0° |
| OBD | CBC | CBA | NBA | 160.5° | 0.0° |
| OBD | CBC | CBA | H20 | 40.8° | 120.0° |
| OBD | CBC | CBA | H21 | 79.8° | 120.0° |
| OBD | CBC | OBC | H22 | 0.0° | 0.0° |
| OBC | CBC | CBA | NBA | 19.5° | 180.0° |
| OBC | CBC | CBA | H20 | 139.2° | 60.0° |
| OBC | CBC | CBA | H21 | 100.3° | 60.0° |
| CBC | CBA | NBA | H20 | 119.7° | 120.0° |
| CBC | CBA | NBA | H21 | 119.7° | 120.0° |
| CBC | CBA | NBA | CAZ | 85.6° | 180.0° |
| CBC | CBA | NBA | H19 | 94.4° | 0.0° |
| CBC | CBA | H20 | H21 | 120.8° | 120.0° |
| CBA | CBC | OBC | H22 | 180.0° | 180.0° |
| OAX | CAZ | NBA | CBA | 2.2° | 0.0° |
| OAX | CAZ | NBA | CAM | 175.4° | 180.0° |
| OAX | CAZ | CAM | OAL | 17.3° | 0.0° |
| OAX | CAZ | CAM | CAP | 99.6° | 120.0° |
| OAX | CAZ | NBA | H19 | 177.8° | 180.0° |
| OAX | CAZ | CAM | H10 | 140.9° | 120.0° |
| CBA | NBA | CAZ | H19 | 180.0° | 180.0° |
| CBA | NBA | CAZ | CAM | 177.6° | 180.0° |
| NBA | CBA | H20 | H21 | 120.8° | 120.0° |
| NBA | CAZ | CAM | OAL | 167.1° | 180.0° |
| NBA | CAZ | CAM | CAP | 75.9° | 60.0° |
| CAZ | NBA | CBA | H20 | 154.7° | 60.0° |
| CAZ | NBA | CBA | H21 | 34.1° | 60.0° |
| NBA | CAZ | CAM | H10 | 43.6° | 60.0° |
| CAZ | CAM | OAL | PAI | 88.2° | 120.0° |
| CAZ | CAM | OAL | CAP | 115.5° | 120.0° |
| CAZ | CAM | OAL | H10 | 122.8° | 120.1° |
| CAZ | CAM | CAP | H10 | 119.6° | 120.0° |
| CAZ | CAM | CAP | CAQ | 179.8° | 175.0° |
| CAZ | CAM | CAP | H14 | 60.5° | 65.0° |
| CAZ | CAM | CAP | H15 | 60.0° | 55.0° |
| CAM | CAZ | NBA | H19 | 2.4° | 0.0° |
| PAI | OAL | CAM | CAP | 156.3° | 120.0° |
| OAL | PAI | OAK | CAH | 121.2° | 105.2° |
| OAL | PAI | CAH | CAG | 174.4° | 89.8° |
| OAL | PAI | OAK | C1 | 155.1° | 170.0° |
| OAL | PAI | CAH | H8 | 54.7° | 150.2° |
| OAL | PAI | CAH | H9 | 65.9° | 30.2° |
| PAI | OAL | CAM | H10 | 34.6° | 0.1° |
| OAL | CAM | CAP | H10 | 122.6° | 119.9° |
| OAL | CAM | CAP | CAQ | 62.4° | 65.0° |
| CAM | OAL | PAI | OAK | 20.0° | 174.9° |
| CAM | OAL | PAI | CAH | 105.6° | 69.8° |
| OAL | CAM | CAP | H14 | 57.3° | 55.0° |
| OAL | CAM | CAP | H15 | 177.8° | 175.0° |
| CAM | CAP | CAQ | H14 | 119.7° | 120.0° |
| CAM | CAP | CAQ | H15 | 119.7° | 120.0° |
| CAM | CAP | H14 | H15 | 120.7° | 120.0° |
| CAM | CAP | CAQ | H16 | 180.0° | 180.0° |
| CAM | CAP | CAQ | H17 | 60.0° | 60.0° |
| CAM | CAP | CAQ | H18 | 60.0° | 60.0° |
| CAQ | CAP | H14 | H15 | 120.8° | 120.0° |
| CAP | CAQ | H16 | H17 | 120.0° | 120.0° |
| CAP | CAQ | H16 | H18 | 120.0° | 120.0° |
| CAP | CAQ | H17 | H18 | 120.0° | 120.0° |
| CAQ | CAP | CAM | H10 | 60.2° | 55.0° |
| OAK | PAI | CAH | CAG | 60.6° | 165.0° |
| PAI | OAK | C1 | C2 | 90.0° | 90.0° |
| PAI | OAK | C1 | C6 | 90.0° | 90.2° |
| OAK | PAI | CAH | H8 | 179.7° | 45.0° |
| OAK | PAI | CAH | H9 | 59.1° | 75.0° |
| PAI | CAH | CAG | H8 | 119.7° | 120.0° |
| PAI | CAH | CAG | H9 | 119.7° | 120.1° |
| PAI | CAH | CAG | CAB | 177.7° | 180.0° |
| CAH | PAI | OAK | C1 | 83.7° | 64.8° |
| PAI | CAH | CAG | H6 | 57.8° | 60.0° |
| PAI | CAH | CAG | H7 | 62.4° | 60.0° |
| PAI | CAH | H8 | H9 | 120.9° | 120.0° |
| CAH | CAG | CAB | H6 | 119.9° | 120.0° |
| CAH | CAG | CAB | H7 | 119.9° | 120.0° |
| CAH | CAG | CAB | NAE | 66.3° | 60.0° |
| CAH | CAG | CAB | CAA | 172.9° | 180.0° |
| CAH | CAG | CAB | NAF | 44.6° | 60.0° |
| CAH | CAG | H6 | H7 | 120.2° | 120.0° |
| CAG | CAH | H8 | H9 | 121.0° | 120.0° |
| CAG | CAB | NAE | CAA | 121.6° | 120.0° |
| CAG | CAB | NAE | NAF | 121.3° | 120.0° |
| CAG | CAB | CAA | OAD | 87.5° | 105.0° |
| CAG | CAB | CAA | NAF | 129.1° | 120.1° |
| CAG | CAB | CAA | OAC | 83.6° | 75.0° |
| CAG | CAB | NAE | H2 | 180.0° | 63.9° |
| CAG | CAB | NAF | H5 | 180.0° | 60.0° |
| CAG | CAB | NAE | H3 | 60.0° | 60.0° |
| CAG | CAB | NAF | H4 | 60.0° | 63.9° |
| CAB | CAG | H6 | H7 | 120.2° | 120.0° |
| CAB | CAG | CAH | H8 | 62.6° | 60.0° |
| CAB | CAG | CAH | H9 | 58.0° | 60.0° |
| NAE | CAB | CAA | OAD | 37.6° | 15.1° |
| NAE | CAB | CAA | NAF | 105.8° | 119.9° |
| NAE | CAB | CAA | OAC | 151.3° | 165.0° |
| CAB | NAE | H2 | H3 | 120.0° | 123.9° |
| NAE | CAB | NAF | H5 | 58.7° | 180.0° |
| NAE | CAB | NAF | H4 | 61.2° | 56.1° |
| NAE | CAB | CAG | H6 | 173.8° | 180.0° |
| NAE | CAB | CAG | H7 | 53.7° | 60.0° |
| OAD | CAA | CAB | OAC | 171.1° | 180.0° |
| OAD | CAA | CAB | NAF | 143.4° | 135.0° |
| OAD | CAA | OAC | H1 | 0.0° | 0.0° |
| CAB | CAA | OAC | H1 | 169.8° | 180.0° |
| CAA | CAB | NAE | H2 | 58.4° | 176.0° |
| CAA | CAB | NAF | H5 | 53.9° | 60.1° |
| CAA | CAB | NAE | H3 | 61.6° | 60.0° |
| CAA | CAB | NAF | H4 | 173.9° | 176.0° |
| CAA | CAB | CAG | H6 | 52.9° | 60.0° |
| CAA | CAB | CAG | H7 | 67.2° | 60.0° |
| NAF | CAB | CAA | OAC | 45.5° | 45.1° |
| NAF | CAB | NAE | H2 | 58.7° | 56.1° |
| CAB | NAF | H5 | H4 | 120.0° | 123.9° |
| NAF | CAB | NAE | H3 | 178.7° | 180.0° |
| NAF | CAB | CAG | H6 | 75.3° | 60.0° |
| NAF | CAB | CAG | H7 | 164.5° | 180.0° |
| H14 | CAP | CAQ | H16 | 60.2° | 60.0° |
| H14 | CAP | CAQ | H17 | 179.7° | 180.0° |
| H14 | CAP | CAQ | H18 | 59.7° | 60.0° |
| H14 | CAP | CAM | H10 | 179.9° | 175.0° |
| H15 | CAP | CAQ | H16 | 60.3° | 60.0° |
| H15 | CAP | CAQ | H17 | 59.8° | 60.0° |
| H15 | CAP | CAQ | H18 | 179.7° | 180.0° |
| H15 | CAP | CAM | H10 | 59.6° | 65.0° |
| H16 | CAQ | H17 | H18 | 119.9° | 120.0° |
| H19 | NBA | CBA | H20 | 25.3° | 120.1° |
| H19 | NBA | CBA | H21 | 145.9° | 119.9° |
| OAK | C1 | C2 | C6 | 90.0° | 179.8° |
| OAK | C1 | C2 | C3 | 90.0° | 180.0° |
| OAK | C1 | C6 | C5 | 90.0° | 179.7° |
| OAK | C1 | C2 | H11 | 90.0° | 0.1° |
| OAK | C1 | C6 | H24 | 90.0° | 0.2° |
| C1 | C2 | C3 | H11 | 90.0° | 179.9° |
| C1 | C2 | C3 | C4 | 90.0° | 0.1° |
| C2 | C1 | C6 | C5 | 90.0° | 0.5° |
| C1 | C2 | C3 | H12 | 90.0° | 180.0° |
| C2 | C1 | C6 | H24 | 90.0° | 180.0° |
| C2 | C3 | C4 | H12 | 90.0° | 179.9° |
| C2 | C3 | C4 | C5 | 90.0° | 0.1° |
| C3 | C2 | C1 | C6 | 90.0° | 0.2° |
| C2 | C3 | C4 | H13 | 90.0° | 180.0° |
| C3 | C4 | C5 | H13 | 90.0° | 180.0° |
| C3 | C4 | C5 | C6 | 90.0° | 0.3° |
| C4 | C3 | C2 | H11 | 90.0° | 180.0° |
| C3 | C4 | C5 | H23 | 90.0° | 180.0° |
| C4 | C5 | C6 | H23 | 90.0° | 179.8° |
| C4 | C5 | C6 | C1 | 90.0° | 0.5° |
| C5 | C4 | C3 | H12 | 90.0° | 180.0° |
| C4 | C5 | C6 | H24 | 90.0° | 180.0° |
| C5 | C6 | C1 | H24 | 90.0° | 179.5° |
| C6 | C5 | C4 | H13 | 90.0° | 179.7° |
| C6 | C1 | C2 | H11 | 90.0° | 179.7° |
| C1 | C6 | C5 | H23 | 90.0° | 179.7° |
| H6 | CAG | CAH | H8 | 177.4° | 180.0° |
| H6 | CAG | CAH | H9 | 61.9° | 60.0° |
| H7 | CAG | CAH | H8 | 57.3° | 60.0° |
| H7 | CAG | CAH | H9 | 177.9° | 179.9° |
| H11 | C2 | C3 | H12 | 90.0° | 0.1° |
| H12 | C3 | C4 | H13 | 90.0° | 0.1° |
| H13 | C4 | C5 | H23 | 90.0° | 0.1° |
| H23 | C5 | C6 | H24 | 90.0° | 0.2° |
