E0C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAW | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAY | doub | 1.39Å | 1.40Å | Aromatic |
| CBB | OBA | sing | 1.43Å | 1.44Å | |
| BRA | CAV | sing | 1.89Å | 1.90Å | |
| CAV | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | OBA | sing | 1.36Å | 1.39Å | |
| CAY | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAJ | doub | 1.37Å | 1.40Å | Aromatic |
| CAT | SAQ | sing | 1.76Å | 1.78Å | |
| CAL | CAD | doub | 1.38Å | 1.33Å | Aromatic |
| CAJ | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.40Å | 1.33Å | Aromatic |
| CAD | CAE | sing | 1.47Å | 1.34Å | |
| OAS | SAQ | doub | 1.42Å | 1.52Å | |
| SAQ | NAP | sing | 1.66Å | 1.70Å | |
| SAQ | OAR | doub | 1.42Å | 1.53Å | |
| CAI | CAC | sing | 1.40Å | 1.35Å | Aromatic |
| CAI | CAH | doub | 1.41Å | 1.41Å | Aromatic |
| OAM | CAE | doub | 1.22Å | 1.24Å | |
| CAC | CAB | doub | 1.39Å | 1.34Å | Aromatic |
| CAE | NAA | sing | 1.36Å | 1.34Å | |
| NAP | CAH | sing | 1.39Å | 1.36Å | |
| CAH | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | NAA | sing | 1.39Å | 1.34Å | |
| CAB | CAF | sing | 1.38Å | 1.34Å | Aromatic |
| NAA | CAN | sing | 1.46Å | 1.51Å | |
| CAO | CAN | sing | 1.53Å | 1.50Å | |
| CAG | CAF | doub | 1.39Å | 1.41Å | Aromatic |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| NAP | H11 | sing | 0.97Å | 1.00Å | |
| CAU | H12 | sing | 1.08Å | 1.08Å | |
| CAW | H13 | sing | 1.08Å | 1.08Å | |
| CAX | H14 | sing | 1.08Å | 1.08Å | |
| CBB | H15 | sing | 1.09Å | 1.10Å | |
| CBB | H16 | sing | 1.09Å | 1.10Å | |
| CBB | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAW | CAV | 120.3° | 120.0° |
| CAW | CAX | CAY | 120.7° | 119.9° |
| CAX | CAW | H13 | 119.8° | 120.0° |
| CAW | CAX | H14 | 119.6° | 120.0° |
| CAW | CAV | BRA | 121.1° | 120.0° |
| CAW | CAV | CAU | 119.4° | 120.1° |
| CAV | CAW | H13 | 119.8° | 120.0° |
| CAX | CAY | OBA | 125.4° | 120.0° |
| CAX | CAY | CAT | 118.5° | 119.9° |
| CAY | CAX | H14 | 119.7° | 120.0° |
| CBB | OBA | CAY | 118.6° | 117.0° |
| OBA | CBB | H15 | 109.5° | 109.5° |
| OBA | CBB | H16 | 109.5° | 109.5° |
| OBA | CBB | H17 | 109.5° | 109.4° |
| BRA | CAV | CAU | 119.5° | 119.9° |
| CAV | CAU | CAT | 120.9° | 120.0° |
| CAV | CAU | H12 | 119.6° | 120.0° |
| OBA | CAY | CAT | 116.1° | 120.1° |
| CAY | CAT | CAU | 120.2° | 120.0° |
| CAY | CAT | SAQ | 121.3° | 120.0° |
| CAU | CAT | SAQ | 118.5° | 120.0° |
| CAT | CAU | H12 | 119.6° | 120.0° |
| CAL | CAK | CAJ | 120.0° | 123.1° |
| CAK | CAL | CAD | 119.4° | 119.7° |
| CAK | CAL | H6 | 120.3° | 120.2° |
| CAL | CAK | H7 | 120.0° | 118.4° |
| CAK | CAJ | CAI | 118.6° | 119.0° |
| CAJ | CAK | H7 | 120.0° | 118.5° |
| CAK | CAJ | H8 | 120.7° | 120.5° |
| CAT | SAQ | OAS | 108.8° | 106.4° |
| CAT | SAQ | NAP | 110.3° | 107.2° |
| CAT | SAQ | OAR | 106.8° | 106.4° |
| CAL | CAD | CAC | 119.9° | 116.7° |
| CAL | CAD | CAE | 134.1° | 139.0° |
| CAD | CAL | H6 | 120.3° | 120.1° |
| CAJ | CAI | CAC | 117.4° | 117.3° |
| CAJ | CAI | CAH | 124.5° | 125.7° |
| CAI | CAJ | H8 | 120.7° | 120.5° |
| CAC | CAD | CAE | 106.0° | 104.3° |
| CAD | CAC | CAI | 124.7° | 124.2° |
| CAD | CAC | CAB | 110.1° | 110.6° |
| CAD | CAE | OAM | 124.3° | 126.0° |
| CAD | CAE | NAA | 109.5° | 108.0° |
| OAS | SAQ | NAP | 110.5° | 106.4° |
| OAS | SAQ | OAR | 112.0° | 123.2° |
| NAP | SAQ | OAR | 108.4° | 106.4° |
| SAQ | NAP | CAH | 118.8° | 120.0° |
| SAQ | NAP | H11 | 107.1° | 120.0° |
| CAC | CAI | CAH | 118.1° | 117.0° |
| CAI | CAC | CAB | 125.1° | 125.3° |
| CAI | CAH | NAP | 119.5° | 120.9° |
| CAI | CAH | CAG | 117.5° | 118.2° |
| OAM | CAE | NAA | 126.1° | 126.0° |
| CAC | CAB | NAA | 106.9° | 106.9° |
| CAC | CAB | CAF | 119.1° | 116.4° |
| CAE | NAA | CAB | 107.4° | 110.3° |
| CAE | NAA | CAN | 126.0° | 124.9° |
| NAP | CAH | CAG | 122.9° | 120.8° |
| CAH | NAP | H11 | 107.1° | 120.0° |
| CAH | CAG | CAF | 120.5° | 122.9° |
| CAH | CAG | H10 | 119.8° | 118.5° |
| NAA | CAB | CAF | 134.0° | 136.8° |
| CAB | NAA | CAN | 126.6° | 124.8° |
| CAB | CAF | CAG | 119.7° | 120.2° |
| CAB | CAF | H9 | 120.2° | 119.9° |
| NAA | CAN | CAO | 107.1° | 109.4° |
| NAA | CAN | H4 | 110.1° | 109.5° |
| NAA | CAN | H5 | 110.1° | 109.5° |
| CAN | CAO | H1 | 109.5° | 109.5° |
| CAN | CAO | H2 | 109.5° | 109.5° |
| CAN | CAO | H3 | 109.5° | 109.5° |
| CAO | CAN | H4 | 110.1° | 109.4° |
| CAO | CAN | H5 | 110.1° | 109.5° |
| CAG | CAF | H9 | 120.1° | 119.9° |
| CAF | CAG | H10 | 119.7° | 118.5° |
| H1 | CAO | H2 | 109.5° | 109.5° |
| H1 | CAO | H3 | 109.5° | 109.5° |
| H2 | CAO | H3 | 109.5° | 109.5° |
| H4 | CAN | H5 | 109.4° | 109.5° |
| H15 | CBB | H16 | 109.4° | 109.5° |
| H15 | CBB | H17 | 109.5° | 109.5° |
| H16 | CBB | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAW | CAV | H13 | 180.0° | 179.7° |
| CAW | CAX | CAY | H14 | 180.0° | 179.8° |
| CAX | CAW | CAV | BRA | 179.7° | 180.0° |
| CAX | CAW | CAV | CAU | 0.5° | 0.0° |
| CAW | CAX | CAY | OBA | 179.5° | 180.0° |
| CAW | CAX | CAY | CAT | 0.4° | 0.5° |
| CAV | CAW | CAX | CAY | 0.4° | 0.3° |
| CAW | CAV | BRA | CAU | 179.2° | 179.9° |
| CAW | CAV | CAU | CAT | 0.1° | 0.0° |
| CAW | CAV | CAU | H12 | 179.9° | 180.0° |
| CAV | CAW | CAX | H14 | 179.6° | 179.9° |
| CAX | CAY | OBA | CBB | 8.5° | 0.0° |
| CAX | CAY | OBA | CAT | 179.1° | 179.5° |
| CAX | CAY | CAT | CAU | 1.0° | 0.5° |
| CAX | CAY | CAT | SAQ | 179.5° | 179.8° |
| CAY | CAX | CAW | H13 | 179.6° | 180.0° |
| CBB | OBA | CAY | CAT | 170.7° | 179.5° |
| OBA | CBB | H15 | H16 | 120.0° | 120.1° |
| OBA | CBB | H15 | H17 | 120.0° | 120.0° |
| OBA | CBB | H16 | H17 | 120.0° | 120.0° |
| BRA | CAV | CAU | CAT | 179.1° | 180.0° |
| BRA | CAV | CAU | H12 | 0.9° | 0.1° |
| BRA | CAV | CAW | H13 | 0.3° | 0.4° |
| CAV | CAU | CAT | CAY | 0.9° | 0.3° |
| CAV | CAU | CAT | H12 | 180.0° | 180.0° |
| CAV | CAU | CAT | SAQ | 179.4° | 180.0° |
| CAU | CAV | CAW | H13 | 179.5° | 179.7° |
| OBA | CAY | CAT | CAU | 179.8° | 180.0° |
| OBA | CAY | CAT | SAQ | 1.3° | 0.2° |
| OBA | CAY | CAX | H14 | 0.5° | 0.2° |
| CAY | OBA | CBB | H15 | 180.0° | 180.0° |
| CAY | OBA | CBB | H16 | 60.0° | 59.9° |
| CAY | OBA | CBB | H17 | 60.0° | 60.0° |
| CAY | CAT | CAU | SAQ | 178.6° | 179.8° |
| CAY | CAT | SAQ | OAS | 51.4° | 48.8° |
| CAY | CAT | SAQ | NAP | 70.0° | 64.7° |
| CAY | CAT | SAQ | OAR | 172.5° | 178.3° |
| CAY | CAT | CAU | H12 | 179.1° | 179.7° |
| CAT | CAY | CAX | H14 | 179.6° | 179.7° |
| CAU | CAT | SAQ | OAS | 127.1° | 131.0° |
| CAU | CAT | SAQ | NAP | 111.4° | 115.5° |
| CAU | CAT | SAQ | OAR | 6.1° | 1.9° |
| CAL | CAK | CAJ | H7 | 180.0° | 180.0° |
| CAK | CAL | CAD | H6 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAI | 0.3° | 0.0° |
| CAK | CAL | CAD | CAC | 0.0° | 0.0° |
| CAK | CAL | CAD | CAE | 179.9° | 179.7° |
| CAL | CAK | CAJ | H8 | 179.8° | 180.0° |
| CAJ | CAK | CAL | CAD | 0.0° | 0.0° |
| CAK | CAJ | CAI | H8 | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAC | 0.5° | 0.0° |
| CAK | CAJ | CAI | CAH | 179.7° | 179.9° |
| CAJ | CAK | CAL | H6 | 180.0° | 180.0° |
| CAT | SAQ | OAS | NAP | 121.3° | 114.1° |
| CAT | SAQ | OAS | OAR | 117.8° | 122.9° |
| CAT | SAQ | NAP | OAR | 116.6° | 113.5° |
| CAT | SAQ | NAP | CAH | 68.0° | 60.3° |
| CAT | SAQ | NAP | H11 | 170.7° | 119.7° |
| SAQ | CAT | CAU | H12 | 0.5° | 0.0° |
| CAL | CAD | CAC | CAE | 179.9° | 179.8° |
| CAL | CAD | CAC | CAI | 0.3° | 0.0° |
| CAL | CAD | CAE | OAM | 0.5° | 0.3° |
| CAL | CAD | CAC | CAB | 179.7° | 180.0° |
| CAL | CAD | CAE | NAA | 179.6° | 179.6° |
| CAD | CAL | CAK | H7 | 180.0° | 180.0° |
| CAJ | CAI | CAC | CAD | 0.5° | 0.0° |
| CAJ | CAI | CAC | CAH | 179.8° | 180.0° |
| CAJ | CAI | CAC | CAB | 179.8° | 180.0° |
| CAJ | CAI | CAH | NAP | 0.7° | 0.0° |
| CAJ | CAI | CAH | CAG | 179.5° | 180.0° |
| CAI | CAJ | CAK | H7 | 179.7° | 180.0° |
| CAD | CAC | CAI | CAB | 179.3° | 180.0° |
| CAD | CAC | CAI | CAH | 179.7° | 179.9° |
| CAC | CAD | CAE | OAM | 179.6° | 180.0° |
| CAC | CAD | CAE | NAA | 0.3° | 0.1° |
| CAD | CAC | CAB | NAA | 0.1° | 0.4° |
| CAD | CAC | CAB | CAF | 180.0° | 179.9° |
| CAC | CAD | CAL | H6 | 180.0° | 180.0° |
| CAE | CAD | CAC | CAI | 179.6° | 179.8° |
| CAD | CAE | OAM | NAA | 179.8° | 179.9° |
| CAE | CAD | CAC | CAB | 0.2° | 0.2° |
| CAD | CAE | NAA | CAB | 0.2° | 0.3° |
| CAD | CAE | NAA | CAN | 179.3° | 180.0° |
| CAE | CAD | CAL | H6 | 0.1° | 0.3° |
| OAS | SAQ | NAP | OAR | 123.0° | 132.9° |
| OAS | SAQ | NAP | CAH | 171.6° | 173.8° |
| OAS | SAQ | NAP | H11 | 50.3° | 6.2° |
| SAQ | NAP | CAH | CAI | 107.6° | 144.5° |
| SAQ | NAP | CAH | H11 | 121.3° | 180.0° |
| SAQ | NAP | CAH | CAG | 73.7° | 35.4° |
| OAR | SAQ | NAP | CAH | 48.6° | 53.3° |
| OAR | SAQ | NAP | H11 | 72.7° | 126.8° |
| CAC | CAI | CAH | NAP | 179.1° | 180.0° |
| CAC | CAI | CAH | CAG | 0.3° | 0.1° |
| CAI | CAC | CAB | NAA | 179.5° | 179.6° |
| CAI | CAC | CAB | CAF | 0.6° | 0.1° |
| CAC | CAI | CAJ | H8 | 179.5° | 180.0° |
| CAH | CAI | CAC | CAB | 0.3° | 0.0° |
| CAI | CAH | NAP | CAG | 178.7° | 180.0° |
| CAI | CAH | CAG | CAF | 0.7° | 0.1° |
| CAH | CAI | CAJ | H8 | 0.3° | 0.0° |
| CAI | CAH | CAG | H10 | 179.3° | 179.9° |
| CAI | CAH | NAP | H11 | 131.1° | 35.4° |
| OAM | CAE | NAA | CAB | 179.7° | 179.8° |
| OAM | CAE | NAA | CAN | 0.9° | 0.1° |
| CAC | CAB | NAA | CAE | 0.0° | 0.4° |
| CAC | CAB | NAA | CAF | 179.8° | 179.4° |
| CAC | CAB | NAA | CAN | 179.4° | 179.9° |
| CAC | CAB | CAF | CAG | 0.2° | 0.1° |
| CAC | CAB | CAF | H9 | 179.8° | 180.0° |
| CAE | NAA | CAB | CAN | 179.5° | 179.7° |
| CAE | NAA | CAB | CAF | 179.8° | 179.8° |
| CAE | NAA | CAN | CAO | 87.5° | 90.1° |
| CAE | NAA | CAN | H4 | 152.8° | 29.9° |
| CAE | NAA | CAN | H5 | 32.1° | 149.9° |
| NAP | CAH | CAG | CAF | 179.4° | 179.9° |
| NAP | CAH | CAG | H10 | 0.6° | 0.0° |
| CAH | CAG | CAF | CAB | 0.4° | 0.1° |
| CAH | CAG | CAF | H10 | 180.0° | 180.0° |
| CAH | CAG | CAF | H9 | 179.6° | 180.0° |
| CAG | CAH | NAP | H11 | 47.6° | 144.6° |
| CAB | NAA | CAN | CAO | 91.8° | 90.3° |
| NAA | CAB | CAF | CAG | 180.0° | 179.5° |
| CAB | NAA | CAN | H4 | 27.8° | 149.8° |
| CAB | NAA | CAN | H5 | 148.5° | 29.7° |
| NAA | CAB | CAF | H9 | 0.0° | 0.7° |
| CAF | CAB | NAA | CAN | 0.7° | 0.5° |
| CAB | CAF | CAG | H9 | 180.0° | 179.9° |
| CAB | CAF | CAG | H10 | 179.6° | 179.9° |
| NAA | CAN | CAO | H4 | 119.6° | 120.0° |
| NAA | CAN | CAO | H5 | 119.6° | 120.0° |
| NAA | CAN | CAO | H1 | 180.0° | 60.0° |
| NAA | CAN | CAO | H2 | 60.0° | 180.0° |
| NAA | CAN | CAO | H3 | 60.0° | 60.0° |
| NAA | CAN | H4 | H5 | 121.1° | 120.1° |
| CAN | CAO | H1 | H2 | 120.0° | 120.0° |
| CAN | CAO | H1 | H3 | 120.0° | 120.0° |
| CAN | CAO | H2 | H3 | 120.0° | 120.0° |
| CAO | CAN | H4 | H5 | 121.1° | 120.0° |
| H1 | CAO | H2 | H3 | 120.0° | 120.0° |
| H1 | CAO | CAN | H4 | 60.3° | 180.0° |
| H1 | CAO | CAN | H5 | 60.4° | 60.0° |
| H2 | CAO | CAN | H4 | 179.6° | 60.0° |
| H2 | CAO | CAN | H5 | 59.7° | 60.0° |
| H3 | CAO | CAN | H4 | 59.7° | 60.0° |
| H3 | CAO | CAN | H5 | 179.6° | 180.0° |
| H6 | CAL | CAK | H7 | 0.0° | 0.0° |
| H7 | CAK | CAJ | H8 | 0.3° | 0.0° |
| H9 | CAF | CAG | H10 | 0.4° | 0.1° |
| H13 | CAW | CAX | H14 | 0.4° | 0.2° |
| H15 | CBB | H16 | H17 | 120.0° | 120.0° |
