E23
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAG | CAX | sing | 1.40Å | 1.34Å | |
| FAE | CAX | sing | 1.40Å | 1.32Å | |
| CAX | CAV | sing | 1.51Å | 1.50Å | |
| CAX | FAF | sing | 1.40Å | 1.30Å | |
| CAM | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAU | CAR | sing | 1.48Å | 1.51Å | |
| OAD | CAR | doub | 1.22Å | 1.22Å | |
| CAR | NAQ | sing | 1.35Å | 1.34Å | |
| NAQ | CAP | sing | 1.46Å | 1.45Å | |
| CAP | CAS | sing | 1.51Å | 1.51Å | |
| CAL | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAO | CAT | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAW | sing | 1.53Å | 1.52Å | |
| CAT | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAW | sing | 1.51Å | 1.52Å | |
| CAW | CAA | sing | 1.53Å | 1.53Å | |
| CAW | CAB | sing | 1.53Å | 1.53Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAI | H3 | sing | 1.08Å | 1.08Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| NAQ | H5 | sing | 0.97Å | 1.00Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å | |
| CAC | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAB | H18 | sing | 1.09Å | 1.10Å | |
| CAN | H19 | sing | 1.08Å | 1.08Å | |
| CAK | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAG | CAX | FAE | 111.3° | 109.5° |
| FAG | CAX | CAV | 112.6° | 109.5° |
| FAG | CAX | FAF | 110.8° | 109.5° |
| FAE | CAX | CAV | 107.5° | 109.4° |
| FAE | CAX | FAF | 106.7° | 109.4° |
| CAV | CAX | FAF | 107.7° | 109.5° |
| CAX | CAV | CAM | 116.4° | 120.1° |
| CAX | CAV | CAU | 123.6° | 120.0° |
| CAI | CAM | CAV | 121.3° | 120.2° |
| CAM | CAI | CAH | 118.8° | 120.2° |
| CAM | CAI | H3 | 120.6° | 119.9° |
| CAI | CAM | H4 | 119.4° | 119.9° |
| CAM | CAV | CAU | 119.9° | 119.9° |
| CAV | CAM | H4 | 119.3° | 120.0° |
| CAI | CAH | CAJ | 120.3° | 120.2° |
| CAI | CAH | H2 | 119.8° | 119.9° |
| CAH | CAI | H3 | 120.6° | 119.9° |
| CAV | CAU | CAJ | 118.4° | 119.7° |
| CAV | CAU | CAR | 124.6° | 120.2° |
| CAH | CAJ | CAU | 121.3° | 119.9° |
| CAH | CAJ | H1 | 119.4° | 120.1° |
| CAJ | CAH | H2 | 119.8° | 119.9° |
| CAJ | CAU | CAR | 116.9° | 120.2° |
| CAU | CAJ | H1 | 119.4° | 120.1° |
| CAU | CAR | OAD | 120.3° | 120.0° |
| CAU | CAR | NAQ | 118.4° | 120.0° |
| OAD | CAR | NAQ | 121.4° | 120.0° |
| CAR | NAQ | CAP | 127.8° | 120.0° |
| CAR | NAQ | H5 | 116.1° | 119.9° |
| NAQ | CAP | CAS | 109.1° | 109.5° |
| CAP | NAQ | H5 | 116.1° | 120.0° |
| NAQ | CAP | H6 | 109.5° | 109.5° |
| NAQ | CAP | H7 | 109.5° | 109.5° |
| CAP | CAS | CAL | 121.8° | 120.0° |
| CAP | CAS | CAK | 119.0° | 120.0° |
| CAS | CAP | H6 | 109.6° | 109.5° |
| CAS | CAP | H7 | 109.6° | 109.5° |
| CAS | CAL | CAO | 120.0° | 120.0° |
| CAL | CAS | CAK | 119.2° | 120.0° |
| CAS | CAL | H8 | 120.0° | 120.0° |
| CAL | CAO | CAT | 121.0° | 120.0° |
| CAO | CAL | H8 | 120.0° | 120.0° |
| CAL | CAO | H9 | 119.5° | 120.0° |
| CAS | CAK | CAN | 120.8° | 120.0° |
| CAS | CAK | H20 | 119.6° | 120.0° |
| CAO | CAT | CAN | 117.6° | 120.0° |
| CAO | CAT | CAW | 122.5° | 120.0° |
| CAT | CAO | H9 | 119.5° | 120.0° |
| CAK | CAN | CAT | 121.4° | 120.0° |
| CAK | CAN | H19 | 119.3° | 120.0° |
| CAN | CAK | H20 | 119.6° | 120.0° |
| CAC | CAW | CAT | 109.2° | 109.5° |
| CAC | CAW | CAA | 108.8° | 109.5° |
| CAC | CAW | CAB | 109.5° | 109.5° |
| CAW | CAC | H13 | 109.5° | 109.5° |
| CAW | CAC | H14 | 109.5° | 109.5° |
| CAW | CAC | H15 | 109.5° | 109.5° |
| CAN | CAT | CAW | 119.9° | 120.0° |
| CAT | CAN | H19 | 119.3° | 120.0° |
| CAT | CAW | CAA | 112.0° | 109.5° |
| CAT | CAW | CAB | 110.1° | 109.4° |
| CAA | CAW | CAB | 107.3° | 109.5° |
| CAW | CAA | H10 | 109.5° | 109.5° |
| CAW | CAA | H11 | 109.5° | 109.4° |
| CAW | CAA | H12 | 109.5° | 109.5° |
| CAW | CAB | H16 | 109.5° | 109.4° |
| CAW | CAB | H17 | 109.5° | 109.4° |
| CAW | CAB | H18 | 109.4° | 109.5° |
| H6 | CAP | H7 | 109.5° | 109.4° |
| H10 | CAA | H11 | 109.4° | 109.5° |
| H10 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.5° |
| H13 | CAC | H14 | 109.4° | 109.4° |
| H13 | CAC | H15 | 109.5° | 109.4° |
| H14 | CAC | H15 | 109.5° | 109.4° |
| H16 | CAB | H17 | 109.5° | 109.5° |
| H16 | CAB | H18 | 109.5° | 109.5° |
| H17 | CAB | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAG | CAX | FAE | CAV | 123.7° | 120.0° |
| FAG | CAX | FAE | FAF | 121.0° | 120.0° |
| FAG | CAX | CAV | FAF | 122.4° | 120.0° |
| FAG | CAX | CAV | CAM | 97.1° | 120.0° |
| FAG | CAX | CAV | CAU | 85.4° | 59.4° |
| FAE | CAX | CAV | FAF | 114.6° | 120.0° |
| FAE | CAX | CAV | CAM | 25.9° | 120.0° |
| FAE | CAX | CAV | CAU | 151.7° | 60.6° |
| CAX | CAV | CAM | CAI | 179.0° | 180.0° |
| CAX | CAV | CAM | CAU | 177.6° | 179.3° |
| CAX | CAV | CAU | CAJ | 179.2° | 180.0° |
| CAX | CAV | CAU | CAR | 2.0° | 0.3° |
| CAX | CAV | CAM | H4 | 1.0° | 0.3° |
| FAF | CAX | CAV | CAM | 140.5° | 0.1° |
| FAF | CAX | CAV | CAU | 37.1° | 179.4° |
| CAI | CAM | CAV | H4 | 180.0° | 179.7° |
| CAM | CAI | CAH | H3 | 180.0° | 180.0° |
| CAI | CAM | CAV | CAU | 1.4° | 0.6° |
| CAM | CAI | CAH | CAJ | 0.0° | 0.0° |
| CAM | CAI | CAH | H2 | 180.0° | 180.0° |
| CAV | CAM | CAI | CAH | 0.5° | 0.3° |
| CAM | CAV | CAU | CAJ | 1.7° | 0.6° |
| CAM | CAV | CAU | CAR | 179.5° | 179.7° |
| CAV | CAM | CAI | H3 | 179.5° | 179.7° |
| CAI | CAH | CAJ | H2 | 180.0° | 180.0° |
| CAI | CAH | CAJ | CAU | 0.3° | 0.0° |
| CAI | CAH | CAJ | H1 | 179.7° | 179.9° |
| CAH | CAI | CAM | H4 | 179.5° | 179.9° |
| CAV | CAU | CAJ | CAH | 1.2° | 0.3° |
| CAV | CAU | CAJ | CAR | 178.9° | 179.7° |
| CAV | CAU | CAR | OAD | 41.4° | 0.2° |
| CAV | CAU | CAR | NAQ | 139.2° | 180.0° |
| CAV | CAU | CAJ | H1 | 178.8° | 179.8° |
| CAU | CAV | CAM | H4 | 178.6° | 179.6° |
| CAH | CAJ | CAU | H1 | 180.0° | 179.9° |
| CAH | CAJ | CAU | CAR | 179.9° | 179.9° |
| CAJ | CAH | CAI | H3 | 179.9° | 180.0° |
| CAJ | CAU | CAR | OAD | 137.5° | 180.0° |
| CAJ | CAU | CAR | NAQ | 41.9° | 0.2° |
| CAU | CAJ | CAH | H2 | 179.7° | 180.0° |
| CAU | CAR | OAD | NAQ | 179.4° | 179.8° |
| CAU | CAR | NAQ | CAP | 179.7° | 179.7° |
| CAR | CAU | CAJ | H1 | 0.1° | 0.0° |
| CAU | CAR | NAQ | H5 | 0.2° | 0.2° |
| OAD | CAR | NAQ | CAP | 0.3° | 0.1° |
| OAD | CAR | NAQ | H5 | 179.6° | 180.0° |
| CAR | NAQ | CAP | H5 | 180.0° | 179.9° |
| CAR | NAQ | CAP | CAS | 105.4° | 180.0° |
| CAR | NAQ | CAP | H6 | 14.5° | 59.9° |
| CAR | NAQ | CAP | H7 | 134.6° | 60.0° |
| NAQ | CAP | CAS | H6 | 119.9° | 120.1° |
| NAQ | CAP | CAS | H7 | 119.9° | 120.0° |
| NAQ | CAP | CAS | CAL | 109.4° | 89.7° |
| NAQ | CAP | CAS | CAK | 70.0° | 90.0° |
| NAQ | CAP | H6 | H7 | 120.1° | 120.0° |
| CAP | CAS | CAL | CAK | 179.3° | 179.7° |
| CAP | CAS | CAL | CAO | 180.0° | 180.0° |
| CAP | CAS | CAK | CAN | 179.9° | 179.8° |
| CAS | CAP | NAQ | H5 | 74.5° | 0.1° |
| CAS | CAP | H6 | H7 | 120.2° | 120.0° |
| CAP | CAS | CAL | H8 | 0.0° | 0.1° |
| CAP | CAS | CAK | H20 | 0.1° | 0.1° |
| CAS | CAL | CAO | H8 | 180.0° | 180.0° |
| CAS | CAL | CAO | CAT | 0.1° | 0.0° |
| CAL | CAS | CAK | CAN | 0.6° | 0.5° |
| CAL | CAS | CAP | H6 | 10.6° | 150.3° |
| CAL | CAS | CAP | H7 | 130.7° | 30.3° |
| CAS | CAL | CAO | H9 | 179.9° | 179.9° |
| CAL | CAS | CAK | H20 | 179.4° | 179.8° |
| CAO | CAL | CAS | CAK | 0.7° | 0.3° |
| CAL | CAO | CAT | H9 | 180.0° | 179.9° |
| CAL | CAO | CAT | CAN | 1.0° | 0.1° |
| CAL | CAO | CAT | CAW | 179.5° | 180.0° |
| CAS | CAK | CAN | H20 | 180.0° | 179.7° |
| CAS | CAK | CAN | CAT | 0.4° | 0.5° |
| CAK | CAS | CAP | H6 | 170.1° | 30.1° |
| CAK | CAS | CAP | H7 | 50.0° | 150.0° |
| CAK | CAS | CAL | H8 | 179.3° | 179.7° |
| CAS | CAK | CAN | H19 | 179.6° | 179.7° |
| CAO | CAT | CAN | CAK | 1.2° | 0.2° |
| CAO | CAT | CAW | CAC | 92.6° | 180.0° |
| CAO | CAT | CAN | CAW | 178.5° | 179.9° |
| CAO | CAT | CAW | CAA | 28.0° | 60.0° |
| CAO | CAT | CAW | CAB | 147.2° | 60.0° |
| CAT | CAO | CAL | H8 | 179.9° | 180.0° |
| CAO | CAT | CAN | H19 | 178.8° | 180.0° |
| CAK | CAN | CAT | H19 | 180.0° | 179.8° |
| CAK | CAN | CAT | CAW | 179.6° | 179.7° |
| CAC | CAW | CAT | CAN | 85.8° | 0.1° |
| CAC | CAW | CAT | CAA | 120.5° | 120.0° |
| CAC | CAW | CAT | CAB | 120.2° | 120.0° |
| CAC | CAW | CAA | CAB | 118.3° | 120.0° |
| CAC | CAW | CAA | H10 | 180.0° | 60.0° |
| CAC | CAW | CAA | H11 | 60.0° | 60.0° |
| CAC | CAW | CAA | H12 | 60.0° | 180.0° |
| CAW | CAC | H13 | H14 | 120.0° | 120.1° |
| CAW | CAC | H13 | H15 | 120.0° | 120.0° |
| CAW | CAC | H14 | H15 | 120.0° | 120.0° |
| CAC | CAW | CAB | H16 | 180.0° | 180.0° |
| CAC | CAW | CAB | H17 | 60.0° | 60.0° |
| CAC | CAW | CAB | H18 | 60.0° | 59.9° |
| CAN | CAT | CAW | CAA | 153.7° | 120.0° |
| CAN | CAT | CAW | CAB | 34.4° | 120.0° |
| CAN | CAT | CAO | H9 | 178.9° | 180.0° |
| CAT | CAN | CAK | H20 | 179.6° | 179.8° |
| CAT | CAW | CAA | CAB | 120.9° | 120.0° |
| CAW | CAT | CAO | H9 | 0.5° | 0.1° |
| CAT | CAW | CAA | H10 | 59.3° | 60.0° |
| CAT | CAW | CAA | H11 | 179.2° | 180.0° |
| CAT | CAW | CAA | H12 | 60.7° | 60.0° |
| CAT | CAW | CAC | H13 | 180.0° | 60.0° |
| CAT | CAW | CAC | H14 | 60.0° | 180.0° |
| CAT | CAW | CAC | H15 | 60.0° | 60.0° |
| CAT | CAW | CAB | H16 | 60.0° | 60.0° |
| CAT | CAW | CAB | H17 | 60.0° | 179.9° |
| CAT | CAW | CAB | H18 | 180.0° | 60.0° |
| CAW | CAT | CAN | H19 | 0.3° | 0.0° |
| CAW | CAA | H10 | H11 | 120.0° | 120.0° |
| CAW | CAA | H10 | H12 | 120.0° | 120.0° |
| CAW | CAA | H11 | H12 | 120.0° | 120.0° |
| CAA | CAW | CAC | H13 | 57.5° | 180.0° |
| CAA | CAW | CAC | H14 | 177.5° | 60.0° |
| CAA | CAW | CAC | H15 | 62.5° | 60.0° |
| CAA | CAW | CAB | H16 | 62.1° | 60.0° |
| CAA | CAW | CAB | H17 | 177.9° | 60.1° |
| CAA | CAW | CAB | H18 | 57.9° | 180.0° |
| CAB | CAW | CAA | H10 | 61.6° | 180.0° |
| CAB | CAW | CAA | H11 | 58.3° | 60.0° |
| CAB | CAW | CAA | H12 | 178.4° | 60.0° |
| CAB | CAW | CAC | H13 | 59.4° | 60.0° |
| CAB | CAW | CAC | H14 | 60.6° | 60.0° |
| CAB | CAW | CAC | H15 | 179.4° | 180.0° |
| CAW | CAB | H16 | H17 | 120.0° | 120.0° |
| CAW | CAB | H16 | H18 | 120.0° | 120.0° |
| CAW | CAB | H17 | H18 | 120.0° | 119.9° |
| H1 | CAJ | CAH | H2 | 0.3° | 0.1° |
| H2 | CAH | CAI | H3 | 0.0° | 0.0° |
| H3 | CAI | CAM | H4 | 0.5° | 0.0° |
| H5 | NAQ | CAP | H6 | 165.5° | 120.0° |
| H5 | NAQ | CAP | H7 | 45.4° | 120.1° |
| H8 | CAL | CAO | H9 | 0.1° | 0.1° |
| H10 | CAA | H11 | H12 | 120.0° | 120.0° |
| H13 | CAC | H14 | H15 | 120.0° | 119.9° |
| H16 | CAB | H17 | H18 | 120.0° | 120.1° |
| H19 | CAN | CAK | H20 | 0.4° | 0.0° |
