92E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | OAV | sing | 1.34Å | 1.41Å | Aromatic |
| CAI | CAH | doub | 1.35Å | 1.34Å | Aromatic |
| OAV | CBG | sing | 1.35Å | 1.36Å | Aromatic |
| CAH | CAJ | sing | 1.40Å | 1.34Å | Aromatic |
| CBG | CAJ | doub | 1.37Å | 1.33Å | Aromatic |
| CBG | CAZ | sing | 1.47Å | 1.35Å | |
| OAG | CAZ | doub | 1.22Å | 1.23Å | |
| CAZ | NAS | sing | 1.35Å | 1.36Å | |
| NAS | CBB | sing | 1.40Å | 1.36Å | |
| OAF | CAY | doub | 1.22Å | 1.23Å | |
| CAO | CBB | doub | 1.39Å | 1.40Å | Aromatic |
| CAO | CBD | sing | 1.40Å | 1.41Å | Aromatic |
| CBB | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAY | CBD | sing | 1.48Å | 1.41Å | |
| CAY | NAT | sing | 1.35Å | 1.35Å | |
| CBD | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | CBA | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAQ | sing | 1.53Å | 1.53Å | |
| CAQ | OAU | sing | 1.43Å | 1.43Å | |
| CAL | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CBF | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CBC | sing | 1.40Å | 1.39Å | Aromatic |
| OAU | CBF | sing | 1.36Å | 1.36Å | |
| CBF | CBE | doub | 1.40Å | 1.41Å | Aromatic |
| OAE | CAX | doub | 1.21Å | 1.23Å | |
| CBC | CAX | sing | 1.47Å | 1.40Å | |
| CBC | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAX | CAC | sing | 1.51Å | 1.54Å | |
| CBE | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CBE | NAT | sing | 1.40Å | 1.35Å | |
| CAN | CBA | sing | 1.39Å | 1.40Å | Aromatic |
| CBA | NAR | sing | 1.40Å | 1.35Å | |
| NAR | CAW | sing | 1.35Å | 1.36Å | |
| CAW | OAD | doub | 1.21Å | 1.23Å | |
| CAW | CAB | 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 | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| CAL | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAO | H17 | sing | 1.08Å | 1.08Å | |
| CAP | H18 | sing | 1.08Å | 1.08Å | |
| CAQ | H19 | sing | 1.09Å | 1.10Å | |
| CAQ | H20 | sing | 1.09Å | 1.10Å | |
| NAR | H21 | sing | 0.97Å | 1.00Å | |
| NAS | H22 | sing | 0.97Å | 1.00Å | |
| NAT | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAV | CAI | CAH | 107.3° | 108.8° |
| CAI | OAV | CBG | 105.5° | 109.4° |
| OAV | CAI | H11 | 126.4° | 125.6° |
| CAI | CAH | CAJ | 109.2° | 107.1° |
| CAI | CAH | H10 | 125.4° | 126.5° |
| CAH | CAI | H11 | 126.4° | 125.6° |
| OAV | CBG | CAJ | 109.6° | 107.9° |
| OAV | CBG | CAZ | 123.8° | 126.0° |
| CAH | CAJ | CBG | 108.4° | 106.7° |
| CAJ | CAH | H10 | 125.4° | 126.4° |
| CAH | CAJ | H12 | 125.8° | 126.6° |
| CAJ | CBG | CAZ | 126.6° | 126.0° |
| CBG | CAJ | H12 | 125.8° | 126.6° |
| CBG | CAZ | OAG | 119.1° | 120.0° |
| CBG | CAZ | NAS | 115.6° | 120.0° |
| OAG | CAZ | NAS | 125.3° | 120.0° |
| CAZ | NAS | CBB | 123.4° | 120.0° |
| CAZ | NAS | H22 | 118.3° | 120.0° |
| NAS | CBB | CAO | 124.7° | 120.0° |
| NAS | CBB | CAM | 117.3° | 119.9° |
| CBB | NAS | H22 | 118.3° | 120.0° |
| OAF | CAY | CBD | 120.3° | 120.0° |
| OAF | CAY | NAT | 123.1° | 120.0° |
| CBB | CAO | CBD | 121.7° | 119.9° |
| CAO | CBB | CAM | 117.9° | 120.1° |
| CBB | CAO | H17 | 119.2° | 120.0° |
| CAO | CBD | CAY | 119.3° | 120.0° |
| CAO | CBD | CAN | 118.7° | 119.9° |
| CBD | CAO | H17 | 119.2° | 120.1° |
| CBB | CAM | CBA | 122.2° | 120.2° |
| CBB | CAM | H15 | 118.9° | 119.9° |
| CBD | CAY | NAT | 116.5° | 120.0° |
| CAY | CBD | CAN | 122.0° | 120.1° |
| CAY | NAT | CBE | 121.1° | 120.0° |
| CAY | NAT | H23 | 119.5° | 120.0° |
| CBD | CAN | CBA | 120.6° | 119.9° |
| CBD | CAN | H16 | 119.7° | 120.0° |
| CAM | CBA | CAN | 118.9° | 120.1° |
| CAM | CBA | NAR | 115.8° | 120.0° |
| CBA | CAM | H15 | 118.9° | 119.9° |
| CAA | CAQ | OAU | 108.2° | 109.5° |
| CAQ | CAA | H1 | 109.5° | 109.4° |
| CAQ | CAA | H2 | 109.5° | 109.5° |
| CAQ | CAA | H3 | 109.5° | 109.5° |
| CAA | CAQ | H19 | 109.8° | 109.4° |
| CAA | CAQ | H20 | 109.8° | 109.5° |
| CAQ | OAU | CBF | 114.0° | 117.0° |
| OAU | CAQ | H19 | 109.8° | 109.5° |
| OAU | CAQ | H20 | 109.8° | 109.5° |
| CAK | CAL | CBF | 120.6° | 120.2° |
| CAL | CAK | CBC | 119.9° | 120.0° |
| CAL | CAK | H13 | 120.1° | 119.9° |
| CAK | CAL | H14 | 119.7° | 119.9° |
| CAL | CBF | OAU | 122.4° | 119.9° |
| CAL | CBF | CBE | 119.9° | 120.2° |
| CBF | CAL | H14 | 119.7° | 119.9° |
| CAK | CBC | CAX | 119.9° | 120.1° |
| CAK | CBC | CAP | 119.4° | 119.8° |
| CBC | CAK | H13 | 120.0° | 120.0° |
| OAU | CBF | CBE | 117.7° | 119.9° |
| CBF | CBE | CAP | 118.7° | 120.0° |
| CBF | CBE | NAT | 121.5° | 120.0° |
| OAE | CAX | CBC | 122.0° | 120.0° |
| OAE | CAX | CAC | 121.4° | 120.0° |
| CAX | CBC | CAP | 120.7° | 120.1° |
| CBC | CAX | CAC | 116.5° | 120.0° |
| CBC | CAP | CBE | 121.4° | 119.8° |
| CBC | CAP | H18 | 119.3° | 120.0° |
| CAX | CAC | H7 | 109.5° | 109.4° |
| CAX | CAC | H8 | 109.5° | 109.4° |
| CAX | CAC | H9 | 109.5° | 109.5° |
| CAP | CBE | NAT | 119.8° | 120.0° |
| CBE | CAP | H18 | 119.3° | 120.1° |
| CBE | NAT | H23 | 119.5° | 120.0° |
| CAN | CBA | NAR | 125.3° | 120.0° |
| CBA | CAN | H16 | 119.7° | 120.1° |
| CBA | NAR | CAW | 124.1° | 120.0° |
| CBA | NAR | H21 | 118.0° | 120.0° |
| NAR | CAW | OAD | 126.7° | 120.0° |
| NAR | CAW | CAB | 113.7° | 120.0° |
| CAW | NAR | H21 | 117.9° | 120.0° |
| OAD | CAW | CAB | 119.5° | 120.0° |
| CAW | CAB | H4 | 109.5° | 109.5° |
| CAW | CAB | H5 | 109.5° | 109.5° |
| CAW | CAB | H6 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAB | H5 | 109.4° | 109.4° |
| H4 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H7 | CAC | H8 | 109.4° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H19 | CAQ | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAV | CAI | CAH | H11 | 180.0° | 180.0° |
| OAV | CAI | CAH | CAJ | 0.2° | 0.1° |
| CAI | OAV | CBG | CAJ | 0.1° | 0.4° |
| CAI | OAV | CBG | CAZ | 179.6° | 180.0° |
| OAV | CAI | CAH | H10 | 179.8° | 179.8° |
| CAH | CAI | OAV | CBG | 0.1° | 0.3° |
| CAI | CAH | CAJ | H10 | 180.0° | 179.9° |
| CAI | CAH | CAJ | CBG | 0.2° | 0.2° |
| CAI | CAH | CAJ | H12 | 179.8° | 179.7° |
| OAV | CBG | CAJ | CAH | 0.1° | 0.3° |
| OAV | CBG | CAJ | CAZ | 179.5° | 179.7° |
| OAV | CBG | CAZ | OAG | 6.4° | 179.6° |
| OAV | CBG | CAZ | NAS | 173.5° | 0.4° |
| CBG | OAV | CAI | H11 | 179.9° | 179.8° |
| OAV | CBG | CAJ | H12 | 179.9° | 179.6° |
| CAH | CAJ | CBG | H12 | 180.0° | 179.9° |
| CAH | CAJ | CBG | CAZ | 179.7° | 180.0° |
| CAJ | CAH | CAI | H11 | 179.8° | 180.0° |
| CAJ | CBG | CAZ | OAG | 174.1° | 0.0° |
| CAJ | CBG | CAZ | NAS | 6.0° | 180.0° |
| CBG | CAJ | CAH | H10 | 179.8° | 180.0° |
| CBG | CAZ | OAG | NAS | 180.0° | 180.0° |
| CBG | CAZ | NAS | CBB | 177.5° | 175.6° |
| CAZ | CBG | CAJ | H12 | 0.3° | 0.1° |
| CBG | CAZ | NAS | H22 | 2.5° | 4.4° |
| OAG | CAZ | NAS | CBB | 2.5° | 4.4° |
| OAG | CAZ | NAS | H22 | 177.5° | 175.6° |
| CAZ | NAS | CBB | H22 | 180.0° | 180.0° |
| CAZ | NAS | CBB | CAO | 29.3° | 144.0° |
| CAZ | NAS | CBB | CAM | 153.7° | 36.0° |
| NAS | CBB | CAO | CAM | 176.9° | 180.0° |
| NAS | CBB | CAO | CBD | 178.3° | 179.5° |
| NAS | CBB | CAM | CBA | 178.6° | 179.9° |
| NAS | CBB | CAM | H15 | 1.4° | 0.3° |
| NAS | CBB | CAO | H17 | 1.7° | 0.0° |
| OAF | CAY | CBD | CAO | 12.6° | 180.0° |
| OAF | CAY | CBD | NAT | 177.7° | 180.0° |
| OAF | CAY | CBD | CAN | 168.8° | 0.8° |
| OAF | CAY | NAT | CBE | 3.0° | 4.9° |
| OAF | CAY | NAT | H23 | 177.0° | 175.1° |
| CBB | CAO | CBD | H17 | 180.0° | 179.4° |
| CBB | CAO | CBD | CAY | 178.5° | 179.9° |
| CBB | CAO | CBD | CAN | 0.1° | 0.8° |
| CAO | CBB | CAM | CBA | 1.4° | 0.0° |
| CAO | CBB | CAM | H15 | 178.5° | 179.7° |
| CAO | CBB | NAS | H22 | 150.7° | 36.1° |
| CBD | CAO | CBB | CAM | 1.4° | 0.6° |
| CAO | CBD | CAY | CAN | 178.6° | 179.2° |
| CAO | CBD | CAY | NAT | 165.1° | 0.0° |
| CAO | CBD | CAN | CBA | 1.2° | 0.6° |
| CAO | CBD | CAN | H16 | 178.9° | 179.5° |
| CBB | CAM | CBA | H15 | 180.0° | 179.7° |
| CBB | CAM | CBA | CAN | 0.2° | 0.3° |
| CBB | CAM | CBA | NAR | 178.9° | 179.8° |
| CAM | CBB | CAO | H17 | 178.6° | 180.0° |
| CAM | CBB | NAS | H22 | 26.3° | 143.9° |
| CBD | CAY | NAT | CBE | 174.6° | 175.1° |
| CAY | CBD | CAN | CBA | 179.8° | 179.8° |
| CAY | CBD | CAN | H16 | 0.2° | 0.3° |
| CAY | CBD | CAO | H17 | 1.5° | 0.5° |
| CBD | CAY | NAT | H23 | 5.4° | 4.9° |
| NAT | CAY | CBD | CAN | 13.5° | 179.2° |
| CAY | NAT | CBE | CBF | 61.2° | 150.3° |
| CAY | NAT | CBE | CAP | 119.4° | 29.7° |
| CAY | NAT | CBE | H23 | 180.0° | 180.0° |
| CBD | CAN | CBA | CAM | 1.1° | 0.0° |
| CBD | CAN | CBA | H16 | 180.0° | 179.9° |
| CBD | CAN | CBA | NAR | 179.9° | 179.9° |
| CAN | CBD | CAO | H17 | 179.9° | 179.7° |
| CAM | CBA | CAN | NAR | 179.0° | 179.9° |
| CAM | CBA | NAR | CAW | 158.4° | 143.9° |
| CAM | CBA | CAN | H16 | 178.9° | 179.9° |
| CAM | CBA | NAR | H21 | 21.6° | 36.1° |
| CAA | CAQ | OAU | H19 | 119.8° | 120.0° |
| CAA | CAQ | OAU | H20 | 119.8° | 120.1° |
| CAA | CAQ | OAU | CBF | 178.9° | 180.0° |
| CAQ | CAA | H1 | H2 | 120.0° | 120.0° |
| CAQ | CAA | H1 | H3 | 120.0° | 120.0° |
| CAQ | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CAQ | H19 | H20 | 120.6° | 120.0° |
| CAQ | OAU | CBF | CAL | 3.2° | 0.0° |
| CAQ | OAU | CBF | CBE | 177.3° | 180.0° |
| OAU | CAQ | CAA | H1 | 180.0° | 60.0° |
| OAU | CAQ | CAA | H2 | 60.0° | 180.0° |
| OAU | CAQ | CAA | H3 | 60.0° | 59.9° |
| OAU | CAQ | H19 | H20 | 120.6° | 120.0° |
| CAK | CAL | CBF | H14 | 180.0° | 179.9° |
| CAL | CAK | CBC | H13 | 180.0° | 179.7° |
| CAK | CAL | CBF | OAU | 179.8° | 179.9° |
| CAK | CAL | CBF | CBE | 0.6° | 0.1° |
| CAL | CAK | CBC | CAX | 179.1° | 179.7° |
| CAL | CAK | CBC | CAP | 0.2° | 0.3° |
| CBF | CAL | CAK | CBC | 0.4° | 0.1° |
| CAL | CBF | OAU | CBE | 179.6° | 180.0° |
| CAL | CBF | CBE | CAP | 0.6° | 0.3° |
| CAL | CBF | CBE | NAT | 179.9° | 179.7° |
| CBF | CAL | CAK | H13 | 179.6° | 179.8° |
| CAK | CBC | CAX | OAE | 0.5° | 174.8° |
| CAK | CBC | CAX | CAP | 179.3° | 180.0° |
| CAK | CBC | CAX | CAC | 177.7° | 5.2° |
| CAK | CBC | CAP | CBE | 0.2° | 0.5° |
| CBC | CAK | CAL | H14 | 179.6° | 179.9° |
| CAK | CBC | CAP | H18 | 179.8° | 180.0° |
| OAU | CBF | CBE | CAP | 179.8° | 179.7° |
| OAU | CBF | CBE | NAT | 0.3° | 0.3° |
| OAU | CBF | CAL | H14 | 0.2° | 0.1° |
| CBF | OAU | CAQ | H19 | 59.1° | 60.0° |
| CBF | OAU | CAQ | H20 | 61.3° | 60.0° |
| CBF | CBE | CAP | CBC | 0.4° | 0.5° |
| CBF | CBE | CAP | NAT | 179.5° | 180.0° |
| CBE | CBF | CAL | H14 | 179.3° | 179.9° |
| CBF | CBE | CAP | H18 | 179.6° | 180.0° |
| CBF | CBE | NAT | H23 | 118.8° | 29.7° |
| OAE | CAX | CBC | CAC | 177.2° | 179.9° |
| OAE | CAX | CBC | CAP | 178.7° | 5.2° |
| OAE | CAX | CAC | H7 | 0.0° | 175.0° |
| OAE | CAX | CAC | H8 | 120.0° | 65.0° |
| OAE | CAX | CAC | H9 | 120.0° | 55.0° |
| CAX | CBC | CAP | CBE | 179.1° | 179.5° |
| CBC | CAX | CAC | H7 | 177.2° | 4.9° |
| CBC | CAX | CAC | H8 | 57.2° | 115.1° |
| CBC | CAX | CAC | H9 | 62.8° | 124.9° |
| CAX | CBC | CAK | H13 | 0.9° | 0.0° |
| CAX | CBC | CAP | H18 | 0.9° | 0.0° |
| CAP | CBC | CAX | CAC | 1.5° | 174.8° |
| CBC | CAP | CBE | H18 | 180.0° | 179.5° |
| CBC | CAP | CBE | NAT | 179.9° | 179.5° |
| CAP | CBC | CAK | H13 | 179.8° | 180.0° |
| CAX | CAC | H7 | H8 | 120.0° | 120.0° |
| CAX | CAC | H7 | H9 | 120.0° | 120.0° |
| CAX | CAC | H8 | H9 | 120.0° | 120.0° |
| CAP | CBE | NAT | H23 | 60.7° | 150.3° |
| NAT | CBE | CAP | H18 | 0.1° | 0.0° |
| CAN | CBA | NAR | CAW | 22.6° | 36.2° |
| CAN | CBA | CAM | H15 | 179.8° | 180.0° |
| CAN | CBA | NAR | H21 | 157.4° | 143.8° |
| CBA | NAR | CAW | H21 | 180.0° | 180.0° |
| CBA | NAR | CAW | OAD | 0.0° | 4.6° |
| CBA | NAR | CAW | CAB | 179.9° | 175.4° |
| NAR | CBA | CAM | H15 | 1.2° | 0.1° |
| NAR | CBA | CAN | H16 | 0.1° | 0.0° |
| NAR | CAW | OAD | CAB | 179.9° | 180.0° |
| NAR | CAW | CAB | H4 | 179.9° | 180.0° |
| NAR | CAW | CAB | H5 | 60.1° | 60.0° |
| NAR | CAW | CAB | H6 | 59.9° | 60.0° |
| OAD | CAW | CAB | H4 | 0.0° | 0.0° |
| OAD | CAW | CAB | H5 | 120.0° | 120.0° |
| OAD | CAW | CAB | H6 | 120.0° | 120.0° |
| OAD | CAW | NAR | H21 | 180.0° | 175.4° |
| CAW | CAB | H4 | H5 | 120.0° | 120.0° |
| CAW | CAB | H4 | H6 | 120.0° | 120.1° |
| CAW | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAW | NAR | H21 | 0.1° | 4.6° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAQ | H19 | 60.2° | 180.0° |
| H1 | CAA | CAQ | H20 | 60.2° | 60.1° |
| H2 | CAA | CAQ | H19 | 59.8° | 60.0° |
| H2 | CAA | CAQ | H20 | 179.7° | 59.9° |
| H3 | CAA | CAQ | H19 | 179.8° | 60.1° |
| H3 | CAA | CAQ | H20 | 59.8° | 180.0° |
| H4 | CAB | H5 | H6 | 119.9° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.1° |
| H10 | CAH | CAI | H11 | 0.2° | 0.1° |
| H10 | CAH | CAJ | H12 | 0.2° | 0.1° |
| H13 | CAK | CAL | H14 | 0.4° | 0.4° |
