43C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | NAQ | doub | 1.30Å | 1.35Å | Aromatic |
| CAM | NBA | sing | 1.35Å | 1.31Å | Aromatic |
| NAQ | CAX | sing | 1.35Å | 1.36Å | Aromatic |
| NBA | CAP | sing | 1.46Å | 1.49Å | |
| NBA | CAY | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | CAV | sing | 1.48Å | 1.36Å | |
| CAX | CAY | doub | 1.39Å | 1.35Å | Aromatic |
| CAP | CAO | sing | 1.53Å | 1.53Å | |
| CAV | CAG | doub | 1.39Å | 1.37Å | Aromatic |
| CAV | CAH | sing | 1.39Å | 1.41Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAF | doub | 1.38Å | 1.36Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAJ | doub | 1.37Å | 1.40Å | Aromatic |
| CAL | CAW | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAY | CAW | sing | 1.47Å | 1.36Å | |
| CAJ | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAW | CAK | doub | 1.40Å | 1.42Å | Aromatic |
| CAO | NAZ | sing | 1.46Å | 1.48Å | |
| CAU | CAC | sing | 1.43Å | 1.47Å | |
| CAU | CAI | doub | 1.40Å | 1.38Å | Aromatic |
| CAK | CAI | sing | 1.37Å | 1.39Å | Aromatic |
| CAC | NAB | trip | 1.14Å | 1.11Å | |
| NAZ | CAN | sing | 1.35Å | 1.33Å | Aromatic |
| NAZ | NAS | sing | 1.29Å | 1.33Å | Aromatic |
| CAN | CAT | doub | 1.35Å | 1.33Å | Aromatic |
| NAS | NAR | doub | 1.29Å | 1.23Å | Aromatic |
| CAT | NAR | sing | 1.34Å | 1.34Å | Aromatic |
| CAT | CAA | sing | 1.51Å | 1.51Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| CAO | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAD | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å | |
| CAJ | H17 | sing | 1.08Å | 1.08Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAQ | CAM | NBA | 110.1° | 109.6° |
| CAM | NAQ | CAX | 107.1° | 109.6° |
| NAQ | CAM | H9 | 124.9° | 125.2° |
| CAM | NBA | CAP | 122.2° | 126.3° |
| CAM | NBA | CAY | 107.4° | 107.3° |
| NBA | CAM | H9 | 124.9° | 125.2° |
| NAQ | CAX | CAV | 120.9° | 126.4° |
| NAQ | CAX | CAY | 107.9° | 107.4° |
| CAP | NBA | CAY | 130.3° | 126.3° |
| NBA | CAP | CAO | 107.4° | 109.4° |
| NBA | CAP | H7 | 110.0° | 109.5° |
| NBA | CAP | H8 | 110.0° | 109.4° |
| NBA | CAY | CAX | 107.4° | 106.1° |
| NBA | CAY | CAW | 125.0° | 126.9° |
| CAV | CAX | CAY | 131.3° | 126.3° |
| CAX | CAV | CAG | 118.7° | 120.1° |
| CAX | CAV | CAH | 124.0° | 120.1° |
| CAX | CAY | CAW | 127.6° | 126.9° |
| CAP | CAO | NAZ | 109.8° | 109.4° |
| CAP | CAO | H5 | 109.4° | 109.4° |
| CAP | CAO | H6 | 109.4° | 109.5° |
| CAO | CAP | H7 | 110.0° | 109.4° |
| CAO | CAP | H8 | 110.0° | 109.5° |
| CAG | CAV | CAH | 117.2° | 119.7° |
| CAV | CAG | CAE | 124.0° | 119.9° |
| CAV | CAG | H10 | 118.0° | 120.0° |
| CAV | CAH | CAF | 119.0° | 119.9° |
| CAV | CAH | H14 | 120.5° | 120.1° |
| CAG | CAE | CAD | 117.8° | 120.1° |
| CAE | CAG | H10 | 118.0° | 120.1° |
| CAG | CAE | H11 | 121.1° | 120.0° |
| CAH | CAF | CAD | 122.6° | 120.1° |
| CAH | CAF | H13 | 118.7° | 120.0° |
| CAF | CAH | H14 | 120.5° | 120.0° |
| CAE | CAD | CAF | 119.2° | 120.3° |
| CAD | CAE | H11 | 121.1° | 119.9° |
| CAE | CAD | H12 | 120.4° | 119.9° |
| CAJ | CAL | CAW | 120.6° | 120.0° |
| CAL | CAJ | CAU | 120.2° | 120.0° |
| CAL | CAJ | H17 | 119.9° | 120.0° |
| CAJ | CAL | H18 | 119.7° | 120.0° |
| CAL | CAW | CAY | 122.1° | 120.0° |
| CAL | CAW | CAK | 118.3° | 120.0° |
| CAW | CAL | H18 | 119.7° | 120.0° |
| CAF | CAD | H12 | 120.4° | 119.9° |
| CAD | CAF | H13 | 118.7° | 119.9° |
| CAY | CAW | CAK | 119.6° | 120.0° |
| CAJ | CAU | CAC | 119.5° | 120.0° |
| CAJ | CAU | CAI | 119.7° | 120.0° |
| CAU | CAJ | H17 | 119.9° | 120.0° |
| CAW | CAK | CAI | 121.0° | 120.0° |
| CAW | CAK | H15 | 119.5° | 120.1° |
| CAO | NAZ | CAN | 132.1° | 125.8° |
| CAO | NAZ | NAS | 119.9° | 125.9° |
| NAZ | CAO | H5 | 109.4° | 109.5° |
| NAZ | CAO | H6 | 109.4° | 109.5° |
| CAC | CAU | CAI | 120.8° | 120.0° |
| CAU | CAC | NAB | 179.4° | 179.9° |
| CAU | CAI | CAK | 120.1° | 120.0° |
| CAU | CAI | H16 | 120.0° | 120.0° |
| CAI | CAK | H15 | 119.5° | 119.9° |
| CAK | CAI | H16 | 119.9° | 120.0° |
| CAN | NAZ | NAS | 107.9° | 108.3° |
| NAZ | CAN | CAT | 104.1° | 106.2° |
| NAZ | CAN | H4 | 128.0° | 126.9° |
| NAZ | NAS | NAR | 111.0° | 110.1° |
| CAN | CAT | NAR | 110.1° | 106.5° |
| CAN | CAT | CAA | 124.3° | 126.7° |
| CAT | CAN | H4 | 128.0° | 126.9° |
| NAS | NAR | CAT | 106.9° | 108.9° |
| NAR | CAT | CAA | 125.6° | 126.8° |
| CAT | CAA | H1 | 109.5° | 109.5° |
| CAT | CAA | H2 | 109.5° | 109.5° |
| CAT | CAA | H3 | 109.5° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H5 | CAO | H6 | 109.5° | 109.5° |
| H7 | CAP | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAQ | CAM | NBA | H9 | 180.0° | 180.0° |
| NAQ | CAM | NBA | CAP | 178.5° | 179.9° |
| NAQ | CAM | NBA | CAY | 1.1° | 0.3° |
| CAM | NAQ | CAX | CAV | 178.9° | 179.9° |
| CAM | NAQ | CAX | CAY | 1.0° | 0.3° |
| NBA | CAM | NAQ | CAX | 0.1° | 0.0° |
| CAM | NBA | CAP | CAY | 176.7° | 179.6° |
| CAM | NBA | CAY | CAX | 1.7° | 0.4° |
| CAM | NBA | CAP | CAO | 83.6° | 96.5° |
| CAM | NBA | CAY | CAW | 179.9° | 179.7° |
| CAM | NBA | CAP | H7 | 156.7° | 23.4° |
| CAM | NBA | CAP | H8 | 36.1° | 143.5° |
| NAQ | CAX | CAY | NBA | 1.6° | 0.5° |
| NAQ | CAX | CAV | CAY | 179.9° | 179.7° |
| NAQ | CAX | CAV | CAG | 20.3° | 35.0° |
| NAQ | CAX | CAV | CAH | 158.2° | 144.7° |
| NAQ | CAX | CAY | CAW | 179.8° | 179.7° |
| CAX | NAQ | CAM | H9 | 179.9° | 180.0° |
| CAP | NBA | CAY | CAX | 178.8° | 179.9° |
| NBA | CAP | CAO | H7 | 119.7° | 120.0° |
| NBA | CAP | CAO | H8 | 119.7° | 120.0° |
| CAP | NBA | CAY | CAW | 3.0° | 0.0° |
| NBA | CAP | CAO | NAZ | 73.7° | 175.0° |
| NBA | CAP | CAO | H5 | 166.3° | 65.0° |
| NBA | CAP | CAO | H6 | 46.4° | 54.9° |
| NBA | CAP | H7 | H8 | 121.0° | 120.0° |
| CAP | NBA | CAM | H9 | 1.5° | 0.1° |
| NBA | CAY | CAX | CAV | 178.3° | 179.8° |
| NBA | CAY | CAX | CAW | 178.1° | 179.8° |
| CAY | NBA | CAP | CAO | 93.1° | 83.9° |
| NBA | CAY | CAW | CAL | 54.4° | 55.0° |
| NBA | CAY | CAW | CAK | 126.6° | 125.2° |
| CAY | NBA | CAP | H7 | 26.6° | 156.2° |
| CAY | NBA | CAP | H8 | 147.2° | 36.2° |
| CAY | NBA | CAM | H9 | 178.9° | 179.8° |
| CAX | CAV | CAG | CAH | 178.7° | 179.7° |
| CAX | CAV | CAG | CAE | 176.8° | 179.9° |
| CAX | CAV | CAH | CAF | 179.5° | 179.7° |
| CAV | CAX | CAY | CAW | 0.1° | 0.0° |
| CAX | CAV | CAG | H10 | 3.1° | 0.1° |
| CAX | CAV | CAH | H14 | 0.5° | 0.1° |
| CAY | CAX | CAV | CAG | 159.8° | 145.3° |
| CAY | CAX | CAV | CAH | 21.6° | 35.0° |
| CAX | CAY | CAW | CAL | 123.5° | 125.2° |
| CAX | CAY | CAW | CAK | 55.6° | 54.6° |
| CAP | CAO | NAZ | H5 | 120.0° | 119.9° |
| CAP | CAO | NAZ | H6 | 120.1° | 120.0° |
| CAP | CAO | NAZ | CAN | 69.1° | 125.1° |
| CAP | CAO | NAZ | NAS | 112.6° | 55.3° |
| CAP | CAO | H5 | H6 | 119.9° | 120.0° |
| CAO | CAP | H7 | H8 | 120.9° | 120.1° |
| CAV | CAG | CAE | H10 | 180.0° | 180.0° |
| CAG | CAV | CAH | CAF | 1.9° | 0.6° |
| CAV | CAG | CAE | CAD | 3.7° | 0.0° |
| CAV | CAG | CAE | H11 | 176.3° | 179.9° |
| CAG | CAV | CAH | H14 | 178.1° | 179.7° |
| CAH | CAV | CAG | CAE | 1.8° | 0.3° |
| CAV | CAH | CAF | H14 | 180.0° | 179.7° |
| CAV | CAH | CAF | CAD | 3.8° | 0.6° |
| CAH | CAV | CAG | H10 | 178.2° | 179.8° |
| CAV | CAH | CAF | H13 | 176.2° | 179.7° |
| CAG | CAE | CAD | H11 | 180.0° | 179.9° |
| CAG | CAE | CAD | CAF | 1.8° | 0.0° |
| CAG | CAE | CAD | H12 | 178.2° | 180.0° |
| CAH | CAF | CAD | CAE | 1.9° | 0.3° |
| CAH | CAF | CAD | H13 | 180.0° | 179.7° |
| CAH | CAF | CAD | H12 | 178.1° | 179.7° |
| CAE | CAD | CAF | H12 | 180.0° | 180.0° |
| CAD | CAE | CAG | H10 | 176.3° | 179.9° |
| CAE | CAD | CAF | H13 | 178.1° | 180.0° |
| CAJ | CAL | CAW | H18 | 180.0° | 179.5° |
| CAJ | CAL | CAW | CAY | 179.8° | 179.7° |
| CAL | CAJ | CAU | H17 | 180.0° | 179.7° |
| CAJ | CAL | CAW | CAK | 1.1° | 0.5° |
| CAL | CAJ | CAU | CAC | 178.5° | 179.8° |
| CAL | CAJ | CAU | CAI | 1.3° | 0.3° |
| CAL | CAW | CAY | CAK | 179.1° | 179.8° |
| CAW | CAL | CAJ | CAU | 0.1° | 0.5° |
| CAL | CAW | CAK | CAI | 1.2° | 0.2° |
| CAL | CAW | CAK | H15 | 178.8° | 179.8° |
| CAW | CAL | CAJ | H17 | 179.9° | 179.7° |
| CAF | CAD | CAE | H11 | 178.2° | 179.9° |
| CAD | CAF | CAH | H14 | 176.2° | 179.7° |
| CAY | CAW | CAK | CAI | 179.7° | 180.0° |
| CAY | CAW | CAK | H15 | 0.3° | 0.0° |
| CAY | CAW | CAL | H18 | 0.2° | 0.2° |
| CAJ | CAU | CAC | CAI | 177.3° | 180.0° |
| CAJ | CAU | CAI | CAK | 1.1° | 0.1° |
| CAJ | CAU | CAC | NAB | 173.5° | 100.8° |
| CAJ | CAU | CAI | H16 | 178.9° | 180.0° |
| CAU | CAJ | CAL | H18 | 179.9° | 180.0° |
| CAW | CAK | CAI | CAU | 0.1° | 0.1° |
| CAW | CAK | CAI | H15 | 180.0° | 180.0° |
| CAW | CAK | CAI | H16 | 179.9° | 180.0° |
| CAK | CAW | CAL | H18 | 178.9° | 180.0° |
| CAO | NAZ | CAN | NAS | 178.5° | 179.7° |
| CAO | NAZ | CAN | CAT | 178.7° | 180.0° |
| CAO | NAZ | NAS | NAR | 178.7° | 179.9° |
| CAO | NAZ | CAN | H4 | 1.3° | 0.1° |
| NAZ | CAO | H5 | H6 | 119.9° | 120.1° |
| NAZ | CAO | CAP | H7 | 46.0° | 55.0° |
| NAZ | CAO | CAP | H8 | 166.7° | 65.0° |
| CAC | CAU | CAI | CAK | 178.4° | 179.9° |
| CAC | CAU | CAI | H16 | 1.6° | 0.0° |
| CAC | CAU | CAJ | H17 | 1.5° | 0.0° |
| CAU | CAI | CAK | H16 | 180.0° | 179.9° |
| CAI | CAU | CAC | NAB | 3.8° | 79.2° |
| CAU | CAI | CAK | H15 | 179.9° | 180.0° |
| CAI | CAU | CAJ | H17 | 178.7° | 180.0° |
| NAZ | CAN | CAT | H4 | 180.0° | 180.0° |
| CAN | NAZ | NAS | NAR | 0.0° | 0.4° |
| NAZ | CAN | CAT | NAR | 0.3° | 0.0° |
| NAZ | CAN | CAT | CAA | 178.1° | 179.7° |
| CAN | NAZ | CAO | H5 | 51.0° | 115.0° |
| CAN | NAZ | CAO | H6 | 170.8° | 5.0° |
| NAS | NAZ | CAN | CAT | 0.2° | 0.3° |
| NAZ | NAS | NAR | CAT | 0.2° | 0.4° |
| NAS | NAZ | CAN | H4 | 179.8° | 179.8° |
| NAS | NAZ | CAO | H5 | 127.4° | 64.7° |
| NAS | NAZ | CAO | H6 | 7.5° | 175.3° |
| CAN | CAT | NAR | NAS | 0.3° | 0.2° |
| CAN | CAT | NAR | CAA | 178.4° | 179.8° |
| CAN | CAT | CAA | H1 | 178.2° | 89.8° |
| CAN | CAT | CAA | H2 | 58.2° | 30.3° |
| CAN | CAT | CAA | H3 | 61.8° | 150.3° |
| NAS | NAR | CAT | CAA | 178.0° | 180.0° |
| NAR | CAT | CAA | H1 | 0.0° | 89.9° |
| NAR | CAT | CAA | H2 | 120.0° | 150.0° |
| NAR | CAT | CAA | H3 | 120.0° | 30.0° |
| NAR | CAT | CAN | H4 | 179.7° | 180.0° |
| CAT | CAA | H1 | H2 | 120.0° | 120.1° |
| CAT | CAA | H1 | H3 | 120.0° | 120.0° |
| CAT | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAT | CAN | H4 | 1.9° | 0.2° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H5 | CAO | CAP | H7 | 74.0° | 175.0° |
| H5 | CAO | CAP | H8 | 46.6° | 55.0° |
| H6 | CAO | CAP | H7 | 166.1° | 65.0° |
| H6 | CAO | CAP | H8 | 73.3° | 174.9° |
| H10 | CAG | CAE | H11 | 3.7° | 0.0° |
| H11 | CAE | CAD | H12 | 1.8° | 0.1° |
| H12 | CAD | CAF | H13 | 1.9° | 0.0° |
| H13 | CAF | CAH | H14 | 3.8° | 0.0° |
| H15 | CAK | CAI | H16 | 0.1° | 0.0° |
| H17 | CAJ | CAL | H18 | 0.1° | 0.2° |
