V83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAK | sing | 1.50Å | 1.39Å | |
| CAL | CAM | doub | 1.29Å | 1.40Å | |
| CAK | CAJ | sing | 1.53Å | 1.59Å | |
| CAM | CAN | sing | 1.50Å | 1.40Å | |
| OAI | CAH | doub | 1.21Å | 1.23Å | |
| CAJ | CAH | sing | 1.51Å | 1.53Å | |
| CAJ | CAO | sing | 1.53Å | 1.54Å | |
| CAH | NAG | sing | 1.35Å | 1.36Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| SAS | CAF | sing | 1.70Å | 1.72Å | Aromatic |
| SAS | CAT | sing | 1.76Å | 1.75Å | Aromatic |
| CAO | CAP | sing | 1.51Å | 1.58Å | |
| NAG | CAF | sing | 1.39Å | 1.35Å | |
| CAF | CAE | doub | 1.37Å | 1.38Å | Aromatic |
| CAZ | CAT | sing | 1.52Å | 1.40Å | |
| CAZ | CAY | sing | 1.53Å | 1.49Å | |
| CAT | CAU | doub | 1.34Å | 1.36Å | Aromatic |
| CAE | CAU | sing | 1.46Å | 1.38Å | Aromatic |
| CAE | CAC | sing | 1.46Å | 1.38Å | |
| CAU | CAV | sing | 1.52Å | 1.43Å | |
| CAA | OAB | sing | 1.45Å | 1.44Å | |
| CAP | OAR | doub | 1.21Å | 1.26Å | |
| CAP | OAQ | sing | 1.34Å | 1.26Å | |
| OAB | CAC | sing | 1.35Å | 1.38Å | |
| CAC | OAD | doub | 1.22Å | 1.24Å | |
| CAY | CAX | sing | 1.53Å | 1.54Å | |
| CAV | CAW | sing | 1.53Å | 1.49Å | |
| CAX | CAW | sing | 1.53Å | 1.54Å | |
| OAQ | H1 | sing | 0.97Å | 0.95Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| NAG | H10 | sing | 0.97Å | 1.00Å | |
| CAZ | H11 | sing | 1.09Å | 1.10Å | |
| CAZ | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.09Å | 1.10Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| CAX | H15 | sing | 1.09Å | 1.10Å | |
| CAX | H16 | sing | 1.09Å | 1.10Å | |
| CAW | H17 | sing | 1.09Å | 1.10Å | |
| CAW | H18 | sing | 1.09Å | 1.10Å | |
| CAV | H19 | sing | 1.09Å | 1.10Å | |
| CAV | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAL | CAM | 120.7° | 124.1° |
| CAL | CAK | CAJ | 109.7° | 110.3° |
| CAK | CAL | H6 | 119.7° | 118.0° |
| CAL | CAK | H7 | 109.4° | 109.3° |
| CAL | CAK | H8 | 109.4° | 109.4° |
| CAL | CAM | CAN | 119.2° | 124.1° |
| CAL | CAM | H5 | 120.4° | 118.0° |
| CAM | CAL | H6 | 119.6° | 117.9° |
| CAK | CAJ | CAH | 112.8° | 109.6° |
| CAK | CAJ | CAO | 114.5° | 108.5° |
| CAJ | CAK | H7 | 109.5° | 109.4° |
| CAJ | CAK | H8 | 109.4° | 109.2° |
| CAK | CAJ | H9 | 108.1° | 109.6° |
| CAM | CAN | CAO | 105.5° | 110.1° |
| CAM | CAN | H3 | 110.5° | 109.4° |
| CAM | CAN | H4 | 110.5° | 109.2° |
| CAN | CAM | H5 | 120.4° | 118.0° |
| OAI | CAH | CAJ | 120.3° | 120.0° |
| OAI | CAH | NAG | 125.5° | 120.0° |
| CAH | CAJ | CAO | 103.5° | 109.9° |
| CAJ | CAH | NAG | 113.8° | 120.0° |
| CAH | CAJ | H9 | 108.9° | 109.7° |
| CAJ | CAO | CAN | 109.5° | 108.6° |
| CAJ | CAO | CAP | 113.1° | 109.6° |
| CAJ | CAO | H2 | 106.6° | 109.6° |
| CAO | CAJ | H9 | 108.8° | 109.5° |
| CAH | NAG | CAF | 121.9° | 120.0° |
| CAH | NAG | H10 | 119.1° | 120.0° |
| CAN | CAO | CAP | 114.0° | 109.6° |
| CAN | CAO | H2 | 106.8° | 109.7° |
| CAO | CAN | H3 | 110.5° | 109.3° |
| CAO | CAN | H4 | 110.4° | 109.4° |
| CAF | SAS | CAT | 91.8° | 92.8° |
| SAS | CAF | NAG | 121.3° | 124.6° |
| SAS | CAF | CAE | 110.4° | 110.7° |
| SAS | CAT | CAZ | 121.3° | 124.1° |
| SAS | CAT | CAU | 110.3° | 110.8° |
| CAO | CAP | OAR | 119.0° | 120.0° |
| CAO | CAP | OAQ | 115.8° | 120.0° |
| CAP | CAO | H2 | 106.2° | 109.6° |
| NAG | CAF | CAE | 128.3° | 124.7° |
| CAF | NAG | H10 | 119.0° | 120.0° |
| CAF | CAE | CAU | 113.8° | 113.4° |
| CAF | CAE | CAC | 119.5° | 123.3° |
| CAT | CAZ | CAY | 106.5° | 110.0° |
| CAZ | CAT | CAU | 128.4° | 125.1° |
| CAT | CAZ | H11 | 110.2° | 109.4° |
| CAT | CAZ | H12 | 110.2° | 109.4° |
| CAZ | CAY | CAX | 108.0° | 109.2° |
| CAY | CAZ | H11 | 110.2° | 109.4° |
| CAY | CAZ | H12 | 110.2° | 109.4° |
| CAZ | CAY | H13 | 109.9° | 109.5° |
| CAZ | CAY | H14 | 109.8° | 109.5° |
| CAT | CAU | CAE | 113.8° | 112.3° |
| CAT | CAU | CAV | 120.4° | 124.7° |
| CAU | CAE | CAC | 126.7° | 123.3° |
| CAE | CAU | CAV | 125.8° | 123.0° |
| CAE | CAC | OAB | 115.4° | 120.1° |
| CAE | CAC | OAD | 124.0° | 120.0° |
| CAU | CAV | CAW | 107.3° | 110.1° |
| CAU | CAV | H19 | 110.0° | 109.4° |
| CAU | CAV | H20 | 110.0° | 109.2° |
| CAA | OAB | CAC | 116.3° | 117.0° |
| OAB | CAA | H21 | 109.5° | 109.4° |
| OAB | CAA | H22 | 109.5° | 109.5° |
| OAB | CAA | H23 | 109.5° | 109.5° |
| OAR | CAP | OAQ | 124.9° | 120.0° |
| CAP | OAQ | H1 | 109.5° | 117.0° |
| OAB | CAC | OAD | 120.6° | 120.0° |
| CAY | CAX | CAW | 108.4° | 109.8° |
| CAX | CAY | H13 | 109.8° | 109.5° |
| CAX | CAY | H14 | 109.9° | 109.5° |
| CAY | CAX | H15 | 109.8° | 109.4° |
| CAY | CAX | H16 | 109.7° | 109.4° |
| CAV | CAW | CAX | 105.8° | 109.6° |
| CAV | CAW | H17 | 110.3° | 109.4° |
| CAV | CAW | H18 | 110.4° | 109.5° |
| CAW | CAV | H19 | 110.0° | 109.4° |
| CAW | CAV | H20 | 110.0° | 109.4° |
| CAW | CAX | H15 | 109.7° | 109.4° |
| CAW | CAX | H16 | 109.7° | 109.4° |
| CAX | CAW | H17 | 110.4° | 109.4° |
| CAX | CAW | H18 | 110.4° | 109.5° |
| H3 | CAN | H4 | 109.5° | 109.4° |
| H7 | CAK | H8 | 109.5° | 109.2° |
| H11 | CAZ | H12 | 109.5° | 109.3° |
| H13 | CAY | H14 | 109.5° | 109.5° |
| H15 | CAX | H16 | 109.5° | 109.4° |
| H17 | CAW | H18 | 109.5° | 109.5° |
| H19 | CAV | H20 | 109.5° | 109.4° |
| H21 | CAA | H22 | 109.5° | 109.5° |
| H21 | CAA | H23 | 109.5° | 109.5° |
| H22 | CAA | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAL | CAM | H6 | 180.0° | 179.9° |
| CAL | CAK | CAJ | H7 | 120.0° | 120.3° |
| CAL | CAK | CAJ | H8 | 120.0° | 120.2° |
| CAK | CAL | CAM | CAN | 2.7° | 0.5° |
| CAL | CAK | CAJ | CAH | 93.7° | 169.1° |
| CAL | CAK | CAJ | CAO | 24.4° | 49.1° |
| CAK | CAL | CAM | H5 | 177.3° | 179.5° |
| CAL | CAK | H7 | H8 | 119.9° | 119.6° |
| CAL | CAK | CAJ | H9 | 145.9° | 70.4° |
| CAM | CAL | CAK | CAJ | 41.6° | 17.0° |
| CAL | CAM | CAN | H5 | 180.0° | 179.9° |
| CAL | CAM | CAN | CAO | 51.7° | 17.2° |
| CAL | CAM | CAN | H3 | 171.0° | 103.1° |
| CAL | CAM | CAN | H4 | 67.7° | 137.3° |
| CAM | CAL | CAK | H7 | 78.4° | 137.4° |
| CAM | CAL | CAK | H8 | 161.6° | 103.1° |
| CAK | CAJ | CAH | OAI | 35.7° | 120.0° |
| CAK | CAJ | CAH | CAO | 124.3° | 119.1° |
| CAK | CAJ | CAH | H9 | 120.0° | 120.4° |
| CAK | CAJ | CAO | H9 | 121.1° | 119.6° |
| CAK | CAJ | CAH | NAG | 151.5° | 60.0° |
| CAK | CAJ | CAO | CAN | 25.6° | 67.1° |
| CAK | CAJ | CAO | CAP | 154.0° | 173.1° |
| CAK | CAJ | CAO | H2 | 89.7° | 52.7° |
| CAJ | CAK | CAL | H6 | 138.4° | 162.8° |
| CAJ | CAK | H7 | H8 | 119.9° | 119.5° |
| CAM | CAN | CAO | CAJ | 62.2° | 49.4° |
| CAM | CAN | CAO | H3 | 119.4° | 120.2° |
| CAM | CAN | CAO | H4 | 119.4° | 120.0° |
| CAM | CAN | CAO | CAP | 169.9° | 169.1° |
| CAM | CAN | CAO | H2 | 52.9° | 70.5° |
| CAM | CAN | H3 | H4 | 121.9° | 119.6° |
| CAN | CAM | CAL | H6 | 177.3° | 179.3° |
| OAI | CAH | CAJ | NAG | 172.8° | 179.9° |
| OAI | CAH | CAJ | CAO | 88.6° | 0.9° |
| OAI | CAH | NAG | CAF | 6.2° | 0.0° |
| OAI | CAH | CAJ | H9 | 155.8° | 119.6° |
| OAI | CAH | NAG | H10 | 173.8° | 180.0° |
| CAH | CAJ | CAO | H9 | 115.7° | 120.6° |
| CAH | CAJ | CAO | CAN | 148.7° | 173.0° |
| CAH | CAJ | CAO | CAP | 82.9° | 53.2° |
| CAJ | CAH | NAG | CAF | 178.5° | 180.0° |
| CAH | CAJ | CAO | H2 | 33.5° | 67.1° |
| CAH | CAJ | CAK | H7 | 146.3° | 70.6° |
| CAH | CAJ | CAK | H8 | 26.4° | 48.9° |
| CAJ | CAH | NAG | H10 | 1.5° | 0.0° |
| CAO | CAJ | CAH | NAG | 84.2° | 179.2° |
| CAJ | CAO | CAN | CAP | 127.9° | 119.8° |
| CAJ | CAO | CAN | H2 | 115.1° | 119.8° |
| CAJ | CAO | CAP | H2 | 116.6° | 120.4° |
| CAJ | CAO | CAP | OAR | 14.7° | 0.4° |
| CAJ | CAO | CAP | OAQ | 159.9° | 179.6° |
| CAJ | CAO | CAN | H3 | 178.5° | 70.9° |
| CAJ | CAO | CAN | H4 | 57.2° | 169.4° |
| CAO | CAJ | CAK | H7 | 95.7° | 169.4° |
| CAO | CAJ | CAK | H8 | 144.4° | 71.1° |
| CAH | NAG | CAF | SAS | 12.7° | 0.3° |
| CAH | NAG | CAF | H10 | 180.0° | 180.0° |
| CAH | NAG | CAF | CAE | 167.9° | 180.0° |
| NAG | CAH | CAJ | H9 | 31.5° | 60.4° |
| CAN | CAO | CAP | H2 | 117.4° | 120.4° |
| CAN | CAO | CAP | OAR | 111.3° | 119.6° |
| CAN | CAO | CAP | OAQ | 74.1° | 60.4° |
| CAO | CAN | H3 | H4 | 121.8° | 119.8° |
| CAO | CAN | CAM | H5 | 128.3° | 162.9° |
| CAN | CAO | CAJ | H9 | 95.6° | 52.4° |
| SAS | CAF | NAG | CAE | 179.4° | 179.7° |
| CAF | SAS | CAT | CAZ | 179.4° | 179.2° |
| CAF | SAS | CAT | CAU | 1.0° | 0.2° |
| SAS | CAF | CAE | CAU | 0.4° | 0.4° |
| SAS | CAF | CAE | CAC | 180.0° | 179.7° |
| SAS | CAF | NAG | H10 | 167.3° | 179.7° |
| CAT | SAS | CAF | NAG | 179.7° | 179.9° |
| CAT | SAS | CAF | CAE | 0.8° | 0.1° |
| SAS | CAT | CAZ | CAU | 178.1° | 179.4° |
| SAS | CAT | CAZ | CAY | 114.8° | 132.9° |
| SAS | CAT | CAU | CAE | 1.0° | 0.5° |
| SAS | CAT | CAU | CAV | 179.7° | 179.6° |
| SAS | CAT | CAZ | H11 | 125.7° | 12.8° |
| SAS | CAT | CAZ | H12 | 4.8° | 106.9° |
| CAO | CAP | OAR | OAQ | 174.1° | 180.0° |
| CAO | CAP | OAQ | H1 | 174.3° | 180.0° |
| CAP | CAO | CAN | H3 | 50.6° | 48.9° |
| CAP | CAO | CAN | H4 | 70.7° | 70.8° |
| CAP | CAO | CAJ | H9 | 32.8° | 67.4° |
| NAG | CAF | CAE | CAU | 179.8° | 179.8° |
| NAG | CAF | CAE | CAC | 0.5° | 0.1° |
| CAF | CAE | CAU | CAT | 0.4° | 0.6° |
| CAF | CAE | CAU | CAC | 179.7° | 179.9° |
| CAF | CAE | CAU | CAV | 179.0° | 179.4° |
| CAF | CAE | CAC | OAB | 4.1° | 89.9° |
| CAF | CAE | CAC | OAD | 177.3° | 90.1° |
| CAE | CAF | NAG | H10 | 12.1° | 0.0° |
| CAT | CAZ | CAY | H11 | 119.5° | 120.1° |
| CAT | CAZ | CAY | H12 | 119.5° | 120.2° |
| CAZ | CAT | CAU | CAE | 179.3° | 179.0° |
| CAZ | CAT | CAU | CAV | 2.0° | 1.0° |
| CAT | CAZ | CAY | CAX | 83.6° | 90.0° |
| CAT | CAZ | H11 | H12 | 121.4° | 119.7° |
| CAT | CAZ | CAY | H13 | 156.7° | 29.9° |
| CAT | CAZ | CAY | H14 | 36.2° | 150.0° |
| CAY | CAZ | CAT | CAU | 63.4° | 47.7° |
| CAZ | CAY | CAX | H13 | 119.8° | 119.9° |
| CAZ | CAY | CAX | H14 | 119.7° | 120.0° |
| CAZ | CAY | CAX | CAW | 82.1° | 33.4° |
| CAY | CAZ | H11 | H12 | 121.4° | 119.7° |
| CAZ | CAY | H13 | H14 | 120.7° | 120.1° |
| CAZ | CAY | CAX | H15 | 37.8° | 153.5° |
| CAZ | CAY | CAX | H16 | 158.1° | 86.7° |
| CAT | CAU | CAE | CAV | 178.6° | 179.9° |
| CAT | CAU | CAE | CAC | 179.2° | 179.5° |
| CAT | CAU | CAV | CAW | 68.5° | 27.7° |
| CAU | CAT | CAZ | H11 | 56.1° | 167.8° |
| CAU | CAT | CAZ | H12 | 177.1° | 72.5° |
| CAT | CAU | CAV | H19 | 171.8° | 92.6° |
| CAT | CAU | CAV | H20 | 51.1° | 147.8° |
| CAU | CAE | CAC | OAB | 176.3° | 90.2° |
| CAU | CAE | CAC | OAD | 2.3° | 89.8° |
| CAE | CAU | CAV | CAW | 113.0° | 152.3° |
| CAE | CAU | CAV | H19 | 6.7° | 87.5° |
| CAE | CAU | CAV | H20 | 127.4° | 32.2° |
| CAC | CAE | CAU | CAV | 0.6° | 0.5° |
| CAE | CAC | OAB | CAA | 141.2° | 180.0° |
| CAE | CAC | OAB | OAD | 178.7° | 180.0° |
| CAU | CAV | CAW | H19 | 119.7° | 120.2° |
| CAU | CAV | CAW | H20 | 119.7° | 120.0° |
| CAU | CAV | CAW | CAX | 87.7° | 89.9° |
| CAU | CAV | CAW | H17 | 31.7° | 150.2° |
| CAU | CAV | CAW | H18 | 152.8° | 30.2° |
| CAU | CAV | H19 | H20 | 121.0° | 119.6° |
| CAA | OAB | CAC | OAD | 40.1° | 0.0° |
| OAB | CAA | H21 | H22 | 120.0° | 120.0° |
| OAB | CAA | H21 | H23 | 120.0° | 120.0° |
| OAB | CAA | H22 | H23 | 120.0° | 120.0° |
| OAR | CAP | OAQ | H1 | 0.0° | 0.0° |
| OAR | CAP | CAO | H2 | 131.3° | 120.0° |
| OAQ | CAP | CAO | H2 | 43.3° | 60.0° |
| CAC | OAB | CAA | H21 | 180.0° | 180.0° |
| CAC | OAB | CAA | H22 | 60.0° | 60.0° |
| CAC | OAB | CAA | H23 | 60.0° | 60.0° |
| CAY | CAX | CAW | CAV | 81.6° | 61.5° |
| CAY | CAX | CAW | H15 | 119.8° | 120.1° |
| CAY | CAX | CAW | H16 | 119.8° | 120.1° |
| CAX | CAY | CAZ | H11 | 36.0° | 149.9° |
| CAX | CAY | CAZ | H12 | 156.9° | 30.2° |
| CAX | CAY | H13 | H14 | 120.7° | 120.1° |
| CAY | CAX | H15 | H16 | 120.5° | 119.8° |
| CAY | CAX | CAW | H17 | 37.8° | 178.5° |
| CAY | CAX | CAW | H18 | 158.9° | 58.6° |
| CAV | CAW | CAX | H17 | 119.4° | 120.0° |
| CAV | CAW | CAX | H18 | 119.4° | 120.1° |
| CAV | CAW | CAX | H15 | 38.2° | 58.6° |
| CAV | CAW | CAX | H16 | 158.6° | 178.4° |
| CAV | CAW | H17 | H18 | 121.7° | 120.0° |
| CAW | CAV | H19 | H20 | 121.0° | 119.7° |
| CAW | CAX | CAY | H13 | 158.2° | 86.6° |
| CAW | CAX | CAY | H14 | 37.7° | 153.3° |
| CAW | CAX | H15 | H16 | 120.5° | 119.8° |
| CAX | CAW | H17 | H18 | 121.7° | 120.0° |
| CAX | CAW | CAV | H19 | 152.6° | 30.4° |
| CAX | CAW | CAV | H20 | 31.9° | 150.1° |
| H2 | CAO | CAN | H3 | 66.4° | 169.3° |
| H2 | CAO | CAN | H4 | 172.3° | 49.6° |
| H2 | CAO | CAJ | H9 | 149.2° | 172.3° |
| H3 | CAN | CAM | H5 | 8.9° | 76.9° |
| H4 | CAN | CAM | H5 | 112.4° | 42.8° |
| H5 | CAM | CAL | H6 | 2.7° | 0.6° |
| H6 | CAL | CAK | H7 | 101.6° | 42.5° |
| H6 | CAL | CAK | H8 | 18.3° | 77.0° |
| H7 | CAK | CAJ | H9 | 25.8° | 49.9° |
| H8 | CAK | CAJ | H9 | 94.1° | 169.4° |
| H11 | CAZ | CAY | H13 | 83.8° | 90.2° |
| H11 | CAZ | CAY | H14 | 155.7° | 29.9° |
| H12 | CAZ | CAY | H13 | 37.2° | 150.1° |
| H12 | CAZ | CAY | H14 | 83.3° | 89.8° |
| H13 | CAY | CAX | H15 | 82.0° | 33.5° |
| H13 | CAY | CAX | H16 | 38.4° | 153.3° |
| H14 | CAY | CAX | H15 | 157.5° | 86.6° |
| H14 | CAY | CAX | H16 | 82.1° | 33.2° |
| H15 | CAX | CAW | H17 | 157.6° | 61.4° |
| H15 | CAX | CAW | H18 | 81.2° | 178.7° |
| H16 | CAX | CAW | H17 | 82.0° | 58.4° |
| H16 | CAX | CAW | H18 | 39.1° | 61.5° |
| H17 | CAW | CAV | H19 | 88.0° | 89.6° |
| H17 | CAW | CAV | H20 | 151.4° | 30.1° |
| H18 | CAW | CAV | H19 | 33.2° | 150.4° |
| H18 | CAW | CAV | H20 | 87.5° | 89.8° |
| H21 | CAA | H22 | H23 | 120.0° | 120.0° |
