43D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAO | CAJ | doub | 1.30Å | 1.35Å | Aromatic |
| NAO | CAW | sing | 1.35Å | 1.35Å | Aromatic |
| CAJ | NBA | sing | 1.35Å | 1.33Å | Aromatic |
| CAB | NAY | sing | 1.46Å | 1.46Å | |
| NAY | CAL | sing | 1.35Å | 1.32Å | Aromatic |
| NAY | NAP | sing | 1.40Å | 1.36Å | Aromatic |
| CAL | CAV | doub | 1.37Å | 1.33Å | Aromatic |
| NAP | CAI | doub | 1.31Å | 1.35Å | Aromatic |
| CAI | CAV | sing | 1.41Å | 1.33Å | Aromatic |
| CAV | CAW | sing | 1.48Å | 1.38Å | |
| CAW | CAX | doub | 1.38Å | 1.36Å | Aromatic |
| NBA | CAN | sing | 1.47Å | 1.53Å | |
| NBA | CAX | sing | 1.38Å | 1.36Å | Aromatic |
| CAH | CAF | doub | 1.37Å | 1.41Å | Aromatic |
| CAH | CAU | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.53Å | 1.56Å | |
| CAX | CAU | sing | 1.47Å | 1.38Å | |
| CAF | CAT | sing | 1.40Å | 1.42Å | Aromatic |
| CAU | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | NAZ | sing | 1.46Å | 1.49Å | |
| CAT | CAD | sing | 1.43Å | 1.39Å | |
| CAT | CAE | doub | 1.40Å | 1.37Å | Aromatic |
| CAG | CAE | sing | 1.37Å | 1.39Å | Aromatic |
| CAD | NAC | trip | 1.14Å | 1.24Å | |
| NAZ | CAK | sing | 1.35Å | 1.35Å | Aromatic |
| NAZ | NAR | sing | 1.29Å | 1.30Å | Aromatic |
| CAK | CAS | doub | 1.35Å | 1.33Å | Aromatic |
| NAR | NAQ | doub | 1.29Å | 1.31Å | Aromatic |
| CAS | NAQ | sing | 1.34Å | 1.34Å | Aromatic |
| CAS | CAA | sing | 1.51Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAB | H12 | sing | 1.09Å | 1.10Å | |
| CAB | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAG | H15 | sing | 1.08Å | 1.08Å | |
| CAE | H16 | sing | 1.08Å | 1.08Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| CAH | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | NAO | CAW | 106.7° | 109.6° |
| NAO | CAJ | NBA | 109.9° | 109.5° |
| NAO | CAJ | H9 | 125.1° | 125.2° |
| NAO | CAW | CAV | 120.4° | 126.3° |
| NAO | CAW | CAX | 108.3° | 107.4° |
| CAJ | NBA | CAN | 121.7° | 126.3° |
| CAJ | NBA | CAX | 107.3° | 107.3° |
| NBA | CAJ | H9 | 125.1° | 125.3° |
| CAB | NAY | CAL | 126.3° | 125.9° |
| CAB | NAY | NAP | 124.4° | 125.9° |
| NAY | CAB | H12 | 109.5° | 109.5° |
| NAY | CAB | H13 | 109.5° | 109.5° |
| NAY | CAB | H14 | 109.5° | 109.5° |
| CAL | NAY | NAP | 109.4° | 108.2° |
| NAY | CAL | CAV | 108.1° | 107.6° |
| NAY | CAL | H10 | 125.9° | 126.2° |
| NAY | NAP | CAI | 105.6° | 108.5° |
| CAL | CAV | CAI | 108.0° | 107.5° |
| CAL | CAV | CAW | 125.0° | 126.2° |
| CAV | CAL | H10 | 125.9° | 126.3° |
| NAP | CAI | CAV | 108.8° | 108.1° |
| NAP | CAI | H11 | 125.6° | 125.9° |
| CAI | CAV | CAW | 126.7° | 126.2° |
| CAV | CAI | H11 | 125.6° | 126.0° |
| CAV | CAW | CAX | 131.0° | 126.3° |
| CAW | CAX | NBA | 107.7° | 106.1° |
| CAW | CAX | CAU | 127.9° | 126.9° |
| CAN | NBA | CAX | 130.8° | 126.3° |
| NBA | CAN | CAM | 107.9° | 109.5° |
| NBA | CAN | H7 | 109.8° | 109.5° |
| NBA | CAN | H8 | 109.9° | 109.5° |
| NBA | CAX | CAU | 124.4° | 127.0° |
| CAF | CAH | CAU | 120.4° | 120.0° |
| CAH | CAF | CAT | 120.1° | 120.0° |
| CAH | CAF | H17 | 120.0° | 120.0° |
| CAF | CAH | H18 | 119.8° | 120.0° |
| CAH | CAU | CAX | 123.9° | 120.0° |
| CAH | CAU | CAG | 117.2° | 120.0° |
| CAU | CAH | H18 | 119.8° | 120.0° |
| CAN | CAM | NAZ | 113.5° | 109.5° |
| CAN | CAM | H5 | 108.5° | 109.4° |
| CAN | CAM | H6 | 108.5° | 109.5° |
| CAM | CAN | H7 | 109.9° | 109.4° |
| CAM | CAN | H8 | 109.9° | 109.5° |
| CAX | CAU | CAG | 118.9° | 120.0° |
| CAF | CAT | CAD | 118.2° | 120.0° |
| CAF | CAT | CAE | 119.4° | 120.0° |
| CAT | CAF | H17 | 120.0° | 120.0° |
| CAU | CAG | CAE | 123.7° | 120.0° |
| CAU | CAG | H15 | 118.2° | 120.0° |
| CAM | NAZ | CAK | 133.1° | 125.9° |
| CAM | NAZ | NAR | 117.6° | 125.9° |
| NAZ | CAM | H5 | 108.5° | 109.5° |
| NAZ | CAM | H6 | 108.4° | 109.5° |
| CAD | CAT | CAE | 122.3° | 119.9° |
| CAT | CAD | NAC | 178.5° | 180.0° |
| CAT | CAE | CAG | 119.1° | 119.9° |
| CAT | CAE | H16 | 120.4° | 120.0° |
| CAE | CAG | H15 | 118.1° | 119.9° |
| CAG | CAE | H16 | 120.5° | 120.0° |
| CAK | NAZ | NAR | 109.3° | 108.3° |
| NAZ | CAK | CAS | 105.4° | 106.2° |
| NAZ | CAK | H4 | 127.3° | 126.9° |
| NAZ | NAR | NAQ | 108.7° | 110.2° |
| CAK | CAS | NAQ | 108.8° | 106.5° |
| CAK | CAS | CAA | 127.1° | 126.8° |
| CAS | CAK | H4 | 127.3° | 126.9° |
| NAR | NAQ | CAS | 107.7° | 108.9° |
| NAQ | CAS | CAA | 124.1° | 126.8° |
| CAS | CAA | H1 | 109.5° | 109.5° |
| CAS | CAA | H2 | 109.5° | 109.5° |
| CAS | CAA | H3 | 109.4° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H5 | CAM | H6 | 109.5° | 109.5° |
| H7 | CAN | H8 | 109.5° | 109.5° |
| H12 | CAB | H13 | 109.5° | 109.4° |
| H12 | CAB | H14 | 109.4° | 109.5° |
| H13 | CAB | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAO | CAJ | NBA | H9 | 180.0° | 180.0° |
| CAJ | NAO | CAW | CAV | 176.8° | 180.0° |
| CAJ | NAO | CAW | CAX | 2.3° | 0.3° |
| NAO | CAJ | NBA | CAN | 178.2° | 180.0° |
| NAO | CAJ | NBA | CAX | 2.5° | 0.2° |
| CAW | NAO | CAJ | NBA | 3.0° | 0.0° |
| NAO | CAW | CAV | CAL | 150.3° | 35.0° |
| NAO | CAW | CAV | CAI | 22.0° | 144.6° |
| NAO | CAW | CAV | CAX | 173.0° | 179.7° |
| NAO | CAW | CAX | NBA | 0.8° | 0.4° |
| NAO | CAW | CAX | CAU | 179.8° | 179.7° |
| CAW | NAO | CAJ | H9 | 177.0° | 180.0° |
| CAJ | NBA | CAX | CAW | 1.1° | 0.4° |
| CAJ | NBA | CAN | CAX | 174.6° | 179.7° |
| CAJ | NBA | CAN | CAM | 84.9° | 96.8° |
| CAJ | NBA | CAX | CAU | 178.4° | 179.8° |
| CAJ | NBA | CAN | H7 | 155.3° | 23.2° |
| CAJ | NBA | CAN | H8 | 34.8° | 143.2° |
| CAB | NAY | CAL | NAP | 179.8° | 179.8° |
| CAB | NAY | CAL | CAV | 178.9° | 180.0° |
| CAB | NAY | NAP | CAI | 179.6° | 179.8° |
| CAB | NAY | CAL | H10 | 1.1° | 0.0° |
| NAY | CAB | H12 | H13 | 120.0° | 120.0° |
| NAY | CAB | H12 | H14 | 120.0° | 120.1° |
| NAY | CAB | H13 | H14 | 120.0° | 120.0° |
| NAY | CAL | CAV | H10 | 180.0° | 179.9° |
| CAL | NAY | NAP | CAI | 0.3° | 0.0° |
| NAY | CAL | CAV | CAI | 2.3° | 0.3° |
| NAY | CAL | CAV | CAW | 175.8° | 180.0° |
| CAL | NAY | CAB | H12 | 179.8° | 90.0° |
| CAL | NAY | CAB | H13 | 59.8° | 150.0° |
| CAL | NAY | CAB | H14 | 60.2° | 30.0° |
| NAP | NAY | CAL | CAV | 1.3° | 0.2° |
| NAY | NAP | CAI | CAV | 1.7° | 0.2° |
| NAP | NAY | CAL | H10 | 178.8° | 179.9° |
| NAY | NAP | CAI | H11 | 178.3° | 179.9° |
| NAP | NAY | CAB | H12 | 0.0° | 89.8° |
| NAP | NAY | CAB | H13 | 120.0° | 30.2° |
| NAP | NAY | CAB | H14 | 120.0° | 150.2° |
| CAL | CAV | CAI | NAP | 2.5° | 0.3° |
| CAL | CAV | CAI | CAW | 173.4° | 179.7° |
| CAL | CAV | CAW | CAX | 22.7° | 145.3° |
| CAL | CAV | CAI | H11 | 177.5° | 179.8° |
| NAP | CAI | CAV | H11 | 180.0° | 179.9° |
| NAP | CAI | CAV | CAW | 175.9° | 180.0° |
| CAI | CAV | CAW | CAX | 165.0° | 35.1° |
| CAI | CAV | CAL | H10 | 177.7° | 179.8° |
| CAV | CAW | CAX | NBA | 174.5° | 179.9° |
| CAV | CAW | CAX | CAU | 6.1° | 0.0° |
| CAW | CAV | CAL | H10 | 4.2° | 0.1° |
| CAW | CAV | CAI | H11 | 4.1° | 0.1° |
| CAW | CAX | NBA | CAN | 176.2° | 179.9° |
| CAW | CAX | NBA | CAU | 179.4° | 179.9° |
| CAW | CAX | CAU | CAH | 128.8° | 125.5° |
| CAW | CAX | CAU | CAG | 53.3° | 54.3° |
| NBA | CAN | CAM | H7 | 119.7° | 120.0° |
| NBA | CAN | CAM | H8 | 119.7° | 120.0° |
| CAN | NBA | CAX | CAU | 3.2° | 0.0° |
| NBA | CAN | CAM | NAZ | 72.4° | 175.0° |
| NBA | CAN | CAM | H5 | 167.0° | 65.0° |
| NBA | CAN | CAM | H6 | 48.2° | 54.9° |
| NBA | CAN | H7 | H8 | 120.7° | 120.0° |
| CAN | NBA | CAJ | H9 | 1.8° | 0.0° |
| NBA | CAX | CAU | CAH | 51.9° | 54.7° |
| CAX | NBA | CAN | CAM | 89.7° | 83.5° |
| NBA | CAX | CAU | CAG | 126.0° | 125.5° |
| CAX | NBA | CAN | H7 | 30.1° | 156.5° |
| CAX | NBA | CAN | H8 | 150.6° | 36.5° |
| CAX | NBA | CAJ | H9 | 177.5° | 179.8° |
| CAF | CAH | CAU | H18 | 180.0° | 179.5° |
| CAF | CAH | CAU | CAX | 179.2° | 179.7° |
| CAH | CAF | CAT | H17 | 180.0° | 179.7° |
| CAF | CAH | CAU | CAG | 2.9° | 0.5° |
| CAH | CAF | CAT | CAD | 179.5° | 179.8° |
| CAH | CAF | CAT | CAE | 0.7° | 0.2° |
| CAH | CAU | CAX | CAG | 177.9° | 179.8° |
| CAU | CAH | CAF | CAT | 1.4° | 0.5° |
| CAH | CAU | CAG | CAE | 2.4° | 0.2° |
| CAH | CAU | CAG | H15 | 177.6° | 179.8° |
| CAU | CAH | CAF | H17 | 178.6° | 179.8° |
| CAN | CAM | NAZ | H5 | 120.6° | 120.0° |
| CAN | CAM | NAZ | H6 | 120.6° | 120.0° |
| CAN | CAM | NAZ | CAK | 69.1° | 125.0° |
| CAN | CAM | NAZ | NAR | 111.6° | 55.3° |
| CAN | CAM | H5 | H6 | 118.2° | 120.0° |
| CAM | CAN | H7 | H8 | 120.8° | 120.0° |
| CAX | CAU | CAG | CAE | 179.6° | 180.0° |
| CAX | CAU | CAG | H15 | 0.4° | 0.0° |
| CAX | CAU | CAH | H18 | 0.8° | 0.2° |
| CAF | CAT | CAD | CAE | 178.7° | 180.0° |
| CAF | CAT | CAE | CAG | 1.3° | 0.0° |
| CAF | CAT | CAD | NAC | 172.4° | 82.6° |
| CAF | CAT | CAE | H16 | 178.7° | 180.0° |
| CAT | CAF | CAH | H18 | 178.6° | 180.0° |
| CAU | CAG | CAE | CAT | 0.3° | 0.0° |
| CAU | CAG | CAE | H15 | 180.0° | 180.0° |
| CAU | CAG | CAE | H16 | 179.7° | 180.0° |
| CAG | CAU | CAH | H18 | 177.2° | 180.0° |
| CAM | NAZ | CAK | NAR | 179.4° | 179.8° |
| CAM | NAZ | CAK | CAS | 179.8° | 180.0° |
| CAM | NAZ | NAR | NAQ | 179.6° | 179.9° |
| CAM | NAZ | CAK | H4 | 0.1° | 0.0° |
| NAZ | CAM | H5 | H6 | 118.2° | 120.0° |
| NAZ | CAM | CAN | H7 | 47.3° | 55.0° |
| NAZ | CAM | CAN | H8 | 167.9° | 65.0° |
| CAD | CAT | CAE | CAG | 180.0° | 180.0° |
| CAD | CAT | CAE | H16 | 0.0° | 0.0° |
| CAD | CAT | CAF | H17 | 0.5° | 0.0° |
| CAT | CAE | CAG | H16 | 180.0° | 179.9° |
| CAE | CAT | CAD | NAC | 8.9° | 97.5° |
| CAT | CAE | CAG | H15 | 179.6° | 180.0° |
| CAE | CAT | CAF | H17 | 179.3° | 180.0° |
| NAZ | CAK | CAS | H4 | 180.0° | 180.0° |
| CAK | NAZ | NAR | NAQ | 0.9° | 0.4° |
| NAZ | CAK | CAS | NAQ | 0.2° | 0.0° |
| NAZ | CAK | CAS | CAA | 179.3° | 179.7° |
| CAK | NAZ | CAM | H5 | 51.5° | 115.0° |
| CAK | NAZ | CAM | H6 | 170.3° | 5.0° |
| NAR | NAZ | CAK | CAS | 0.5° | 0.2° |
| NAZ | NAR | NAQ | CAS | 1.0° | 0.4° |
| NAR | NAZ | CAK | H4 | 179.5° | 179.8° |
| NAR | NAZ | CAM | H5 | 127.8° | 64.7° |
| NAR | NAZ | CAM | H6 | 9.0° | 175.3° |
| CAK | CAS | NAQ | NAR | 0.8° | 0.3° |
| CAK | CAS | NAQ | CAA | 179.1° | 179.7° |
| CAK | CAS | CAA | H1 | 179.0° | 89.6° |
| CAK | CAS | CAA | H2 | 59.0° | 30.3° |
| CAK | CAS | CAA | H3 | 61.0° | 150.3° |
| NAR | NAQ | CAS | CAA | 179.9° | 180.0° |
| NAQ | CAS | CAA | H1 | 0.0° | 90.0° |
| NAQ | CAS | CAA | H2 | 120.0° | 150.0° |
| NAQ | CAS | CAA | H3 | 120.0° | 30.1° |
| NAQ | CAS | CAK | H4 | 179.9° | 180.0° |
| CAS | CAA | H1 | H2 | 120.0° | 120.0° |
| CAS | CAA | H1 | H3 | 120.0° | 120.0° |
| CAS | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAS | CAK | H4 | 0.8° | 0.3° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H5 | CAM | CAN | H7 | 73.3° | 175.0° |
| H5 | CAM | CAN | H8 | 47.3° | 55.0° |
| H6 | CAM | CAN | H7 | 167.9° | 65.1° |
| H6 | CAM | CAN | H8 | 71.6° | 174.9° |
| H12 | CAB | H13 | H14 | 120.0° | 120.0° |
| H15 | CAG | CAE | H16 | 0.3° | 0.0° |
| H17 | CAF | CAH | H18 | 1.4° | 0.2° |
