90N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAU | CAT | sing | 1.38Å | 1.33Å | |
| NAV | CAT | doub | 1.33Å | 1.34Å | Aromatic |
| NAV | CAW | sing | 1.32Å | 1.34Å | Aromatic |
| CAT | NAS | sing | 1.33Å | 1.34Å | Aromatic |
| CAX | CAW | sing | 1.51Å | 1.39Å | |
| CAW | NAY | doub | 1.32Å | 1.34Å | Aromatic |
| NAS | CAR | doub | 1.33Å | 1.34Å | Aromatic |
| NAY | CAR | sing | 1.33Å | 1.34Å | Aromatic |
| CAR | NAQ | sing | 1.39Å | 1.34Å | |
| NAQ | CAP | sing | 1.35Å | 1.34Å | |
| CAP | OAZ | doub | 1.22Å | 1.23Å | |
| CAP | CAO | sing | 1.48Å | 1.40Å | |
| CBA | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CBA | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAO | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| NAJ | CAK | sing | 1.40Å | 1.35Å | |
| NAJ | CAI | sing | 1.38Å | 1.35Å | |
| NAH | CAI | doub | 1.30Å | 1.34Å | Aromatic |
| NAH | CAG | sing | 1.31Å | 1.36Å | Aromatic |
| CAK | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | SBB | sing | 1.71Å | 1.70Å | Aromatic |
| CAG | CAF | doub | 1.37Å | 1.35Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| SBB | CAF | sing | 1.76Å | 1.67Å | Aromatic |
| CAF | CAE | sing | 1.46Å | 1.36Å | |
| CL1 | CAB | sing | 1.74Å | 1.72Å | |
| NAD | CAE | sing | 1.35Å | 1.36Å | |
| NAD | CAC | sing | 1.40Å | 1.36Å | |
| CAE | OBC | doub | 1.22Å | 1.23Å | |
| CAC | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CBD | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CBH | sing | 1.38Å | 1.39Å | Aromatic |
| CBD | CBE | sing | 1.51Å | 1.39Å | |
| CBD | CBF | doub | 1.38Å | 1.39Å | Aromatic |
| CBH | CBG | doub | 1.38Å | 1.39Å | Aromatic |
| CBF | CBG | sing | 1.38Å | 1.39Å | Aromatic |
| CBE | H1 | sing | 1.09Å | 1.10Å | |
| CBE | H2 | sing | 1.09Å | 1.10Å | |
| CBE | H3 | sing | 1.09Å | 1.10Å | |
| CBF | H4 | sing | 1.08Å | 1.08Å | |
| CBG | H5 | sing | 1.08Å | 1.08Å | |
| CBH | H6 | sing | 1.08Å | 1.08Å | |
| NAD | H7 | sing | 0.97Å | 1.00Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| NAJ | H9 | sing | 0.97Å | 1.00Å | |
| CBA | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAM | H12 | sing | 1.08Å | 1.08Å | |
| CAN | H13 | sing | 1.08Å | 1.08Å | |
| NAQ | H14 | sing | 0.97Å | 1.00Å | |
| CAX | H15 | sing | 1.09Å | 1.10Å | |
| CAX | H16 | sing | 1.09Å | 1.10Å | |
| CAX | H17 | sing | 1.09Å | 1.10Å | |
| NAU | H18 | sing | 0.97Å | 1.00Å | |
| NAU | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAU | CAT | NAV | 119.9° | 120.0° |
| NAU | CAT | NAS | 120.0° | 120.1° |
| CAT | NAU | H18 | 109.5° | 120.0° |
| CAT | NAU | H19 | 109.5° | 120.0° |
| CAT | NAV | CAW | 120.0° | 120.1° |
| NAV | CAT | NAS | 120.1° | 119.9° |
| NAV | CAW | CAX | 119.6° | 120.0° |
| NAV | CAW | NAY | 119.9° | 120.1° |
| CAT | NAS | CAR | 120.3° | 119.8° |
| CAX | CAW | NAY | 120.6° | 119.9° |
| CAW | CAX | H15 | 109.5° | 109.4° |
| CAW | CAX | H16 | 109.5° | 109.5° |
| CAW | CAX | H17 | 109.4° | 109.5° |
| CAW | NAY | CAR | 120.2° | 120.1° |
| NAS | CAR | NAY | 119.6° | 119.9° |
| NAS | CAR | NAQ | 119.7° | 120.0° |
| NAY | CAR | NAQ | 120.6° | 120.0° |
| CAR | NAQ | CAP | 113.6° | 120.0° |
| CAR | NAQ | H14 | 123.2° | 120.0° |
| NAQ | CAP | OAZ | 122.2° | 120.0° |
| NAQ | CAP | CAO | 118.8° | 120.0° |
| CAP | NAQ | H14 | 123.2° | 120.0° |
| OAZ | CAP | CAO | 119.0° | 120.0° |
| CAP | CAO | CBA | 124.6° | 120.1° |
| CAP | CAO | CAN | 115.5° | 120.1° |
| CAO | CBA | CAK | 120.3° | 119.8° |
| CBA | CAO | CAN | 119.9° | 119.8° |
| CAO | CBA | H10 | 119.8° | 120.2° |
| CBA | CAK | NAJ | 119.4° | 120.0° |
| CBA | CAK | CAL | 118.2° | 120.0° |
| CAK | CBA | H10 | 119.9° | 120.0° |
| CAO | CAN | CAM | 120.4° | 120.0° |
| CAO | CAN | H13 | 119.8° | 120.0° |
| CAK | NAJ | CAI | 124.6° | 120.0° |
| NAJ | CAK | CAL | 122.3° | 120.0° |
| CAK | NAJ | H9 | 117.7° | 120.0° |
| NAJ | CAI | NAH | 123.2° | 124.7° |
| NAJ | CAI | SBB | 130.2° | 124.7° |
| CAI | NAJ | H9 | 117.7° | 120.0° |
| CAI | NAH | CAG | 115.1° | 117.3° |
| NAH | CAI | SBB | 106.6° | 110.5° |
| NAH | CAG | CAF | 114.9° | 114.0° |
| NAH | CAG | H8 | 122.6° | 123.0° |
| CAK | CAL | CAM | 121.6° | 120.2° |
| CAK | CAL | H11 | 119.2° | 119.9° |
| CAI | SBB | CAF | 95.9° | 90.4° |
| CAG | CAF | SBB | 107.5° | 107.8° |
| CAG | CAF | CAE | 128.4° | 126.1° |
| CAF | CAG | H8 | 122.5° | 122.9° |
| CAN | CAM | CAL | 119.5° | 120.3° |
| CAN | CAM | H12 | 120.2° | 119.9° |
| CAM | CAN | H13 | 119.8° | 120.0° |
| CAM | CAL | H11 | 119.2° | 119.9° |
| CAL | CAM | H12 | 120.3° | 119.9° |
| SBB | CAF | CAE | 124.1° | 126.1° |
| CAF | CAE | NAD | 118.7° | 120.0° |
| CAF | CAE | OBC | 119.5° | 120.0° |
| CL1 | CAB | CAC | 122.7° | 120.0° |
| CL1 | CAB | CBH | 117.6° | 120.1° |
| CAE | NAD | CAC | 118.6° | 120.0° |
| NAD | CAE | OBC | 121.8° | 120.0° |
| CAE | NAD | H7 | 120.7° | 119.9° |
| NAD | CAC | CAB | 120.6° | 120.1° |
| NAD | CAC | CBD | 119.1° | 120.1° |
| CAC | NAD | H7 | 120.7° | 120.1° |
| CAB | CAC | CBD | 120.2° | 119.8° |
| CAC | CAB | CBH | 119.7° | 119.9° |
| CAC | CBD | CBE | 122.4° | 120.0° |
| CAC | CBD | CBF | 119.3° | 119.9° |
| CAB | CBH | CBG | 120.3° | 120.1° |
| CAB | CBH | H6 | 119.9° | 120.0° |
| CBE | CBD | CBF | 118.3° | 120.0° |
| CBD | CBE | H1 | 109.5° | 109.5° |
| CBD | CBE | H2 | 109.4° | 109.5° |
| CBD | CBE | H3 | 109.4° | 109.5° |
| CBD | CBF | CBG | 120.7° | 120.1° |
| CBD | CBF | H4 | 119.7° | 119.9° |
| CBH | CBG | CBF | 119.8° | 120.1° |
| CBH | CBG | H5 | 120.1° | 119.9° |
| CBG | CBH | H6 | 119.8° | 119.9° |
| CBG | CBF | H4 | 119.6° | 119.9° |
| CBF | CBG | H5 | 120.1° | 120.0° |
| H1 | CBE | H2 | 109.5° | 109.4° |
| H1 | CBE | H3 | 109.5° | 109.5° |
| H2 | CBE | H3 | 109.5° | 109.4° |
| H15 | CAX | H16 | 109.5° | 109.4° |
| H15 | CAX | H17 | 109.5° | 109.5° |
| H16 | CAX | H17 | 109.5° | 109.5° |
| H18 | NAU | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAU | CAT | NAV | NAS | 180.0° | 179.8° |
| NAU | CAT | NAV | CAW | 179.9° | 180.0° |
| NAU | CAT | NAS | CAR | 179.5° | 179.8° |
| CAT | NAU | H18 | H19 | 120.0° | 180.0° |
| CAT | NAV | CAW | CAX | 179.7° | 179.8° |
| CAT | NAV | CAW | NAY | 0.1° | 0.2° |
| NAV | CAT | NAS | CAR | 0.5° | 0.0° |
| NAV | CAT | NAU | H18 | 0.0° | 0.1° |
| NAV | CAT | NAU | H19 | 120.0° | 180.0° |
| CAW | NAV | CAT | NAS | 0.0° | 0.2° |
| NAV | CAW | CAX | NAY | 179.8° | 179.9° |
| NAV | CAW | NAY | CAR | 0.4° | 0.0° |
| NAV | CAW | CAX | H15 | 0.0° | 90.0° |
| NAV | CAW | CAX | H16 | 120.0° | 29.9° |
| NAV | CAW | CAX | H17 | 120.0° | 150.0° |
| CAT | NAS | CAR | NAY | 1.0° | 0.3° |
| CAT | NAS | CAR | NAQ | 179.1° | 180.0° |
| NAS | CAT | NAU | H18 | 179.9° | 179.8° |
| NAS | CAT | NAU | H19 | 59.9° | 0.2° |
| CAX | CAW | NAY | CAR | 179.8° | 180.0° |
| CAW | CAX | H15 | H16 | 120.0° | 119.9° |
| CAW | CAX | H15 | H17 | 120.0° | 120.0° |
| CAW | CAX | H16 | H17 | 120.0° | 120.1° |
| CAW | NAY | CAR | NAS | 1.0° | 0.3° |
| CAW | NAY | CAR | NAQ | 179.0° | 180.0° |
| NAY | CAW | CAX | H15 | 179.8° | 90.1° |
| NAY | CAW | CAX | H16 | 60.2° | 150.0° |
| NAY | CAW | CAX | H17 | 59.8° | 29.9° |
| NAS | CAR | NAY | NAQ | 178.1° | 179.8° |
| NAS | CAR | NAQ | CAP | 74.5° | 0.0° |
| NAS | CAR | NAQ | H14 | 105.5° | 180.0° |
| NAY | CAR | NAQ | CAP | 103.6° | 179.7° |
| NAY | CAR | NAQ | H14 | 76.5° | 0.3° |
| CAR | NAQ | CAP | H14 | 180.0° | 180.0° |
| CAR | NAQ | CAP | OAZ | 1.2° | 0.0° |
| CAR | NAQ | CAP | CAO | 178.6° | 180.0° |
| NAQ | CAP | OAZ | CAO | 177.5° | 180.0° |
| NAQ | CAP | CAO | CBA | 32.8° | 180.0° |
| NAQ | CAP | CAO | CAN | 148.0° | 0.0° |
| OAZ | CAP | CAO | CBA | 149.7° | 0.0° |
| OAZ | CAP | CAO | CAN | 29.5° | 180.0° |
| OAZ | CAP | NAQ | H14 | 178.9° | 180.0° |
| CAP | CAO | CBA | CAN | 179.1° | 180.0° |
| CAP | CAO | CBA | CAK | 178.9° | 180.0° |
| CAP | CAO | CAN | CAM | 179.7° | 179.8° |
| CAP | CAO | CBA | H10 | 1.1° | 0.0° |
| CAP | CAO | CAN | H13 | 0.3° | 0.1° |
| CAO | CAP | NAQ | H14 | 1.4° | 0.0° |
| CAO | CBA | CAK | H10 | 180.0° | 180.0° |
| CAO | CBA | CAK | NAJ | 179.4° | 180.0° |
| CAO | CBA | CAK | CAL | 1.2° | 0.2° |
| CBA | CAO | CAN | CAM | 0.5° | 0.2° |
| CBA | CAO | CAN | H13 | 179.5° | 179.9° |
| CAK | CBA | CAO | CAN | 0.2° | 0.0° |
| CBA | CAK | NAJ | CAL | 178.1° | 179.7° |
| CBA | CAK | NAJ | CAI | 147.2° | 26.5° |
| CBA | CAK | CAL | CAM | 1.5° | 0.2° |
| CBA | CAK | NAJ | H9 | 32.8° | 153.5° |
| CBA | CAK | CAL | H11 | 178.6° | 179.8° |
| CAO | CAN | CAM | H13 | 180.0° | 179.6° |
| CAO | CAN | CAM | CAL | 0.3° | 0.2° |
| CAN | CAO | CBA | H10 | 179.8° | 180.0° |
| CAO | CAN | CAM | H12 | 179.7° | 179.7° |
| CAK | NAJ | CAI | H9 | 180.0° | 180.0° |
| CAK | NAJ | CAI | NAH | 175.9° | 6.4° |
| CAK | NAJ | CAI | SBB | 4.5° | 173.7° |
| NAJ | CAK | CAL | CAM | 179.6° | 180.0° |
| NAJ | CAK | CBA | H10 | 0.6° | 0.0° |
| NAJ | CAK | CAL | H11 | 0.4° | 0.0° |
| NAJ | CAI | NAH | SBB | 179.6° | 179.9° |
| NAJ | CAI | NAH | CAG | 179.8° | 179.9° |
| CAI | NAJ | CAK | CAL | 34.6° | 153.8° |
| NAJ | CAI | SBB | CAF | 179.6° | 179.9° |
| CAI | NAH | CAG | CAF | 0.9° | 0.1° |
| NAH | CAI | SBB | CAF | 0.0° | 0.2° |
| CAI | NAH | CAG | H8 | 179.1° | 179.8° |
| NAH | CAI | NAJ | H9 | 4.0° | 173.6° |
| CAG | NAH | CAI | SBB | 0.5° | 0.1° |
| NAH | CAG | CAF | H8 | 180.0° | 179.9° |
| NAH | CAG | CAF | SBB | 0.8° | 0.2° |
| NAH | CAG | CAF | CAE | 179.5° | 180.0° |
| CAK | CAL | CAM | CAN | 0.7° | 0.0° |
| CAK | CAL | CAM | H11 | 180.0° | 180.0° |
| CAL | CAK | NAJ | H9 | 145.3° | 26.3° |
| CAL | CAK | CBA | H10 | 178.8° | 179.8° |
| CAK | CAL | CAM | H12 | 179.3° | 180.0° |
| CAI | SBB | CAF | CAG | 0.4° | 0.2° |
| CAI | SBB | CAF | CAE | 179.2° | 180.0° |
| SBB | CAI | NAJ | H9 | 175.5° | 6.3° |
| CAG | CAF | SBB | CAE | 178.7° | 179.8° |
| CAG | CAF | CAE | NAD | 8.4° | 179.7° |
| CAG | CAF | CAE | OBC | 169.4° | 0.2° |
| CAN | CAM | CAL | H12 | 180.0° | 180.0° |
| CAN | CAM | CAL | H11 | 179.3° | 180.0° |
| CAL | CAM | CAN | H13 | 179.7° | 179.9° |
| SBB | CAF | CAE | NAD | 173.2° | 0.0° |
| SBB | CAF | CAE | OBC | 9.0° | 180.0° |
| SBB | CAF | CAG | H8 | 179.1° | 179.7° |
| CAF | CAE | NAD | OBC | 177.8° | 179.9° |
| CAF | CAE | NAD | CAC | 177.5° | 176.5° |
| CAF | CAE | NAD | H7 | 2.5° | 3.6° |
| CAE | CAF | CAG | H8 | 0.5° | 0.1° |
| CL1 | CAB | CAC | NAD | 0.4° | 0.3° |
| CL1 | CAB | CAC | CBH | 179.9° | 179.8° |
| CL1 | CAB | CAC | CBD | 179.7° | 179.7° |
| CL1 | CAB | CBH | CBG | 179.9° | 180.0° |
| CL1 | CAB | CBH | H6 | 0.1° | 0.0° |
| CAE | NAD | CAC | H7 | 180.0° | 180.0° |
| CAE | NAD | CAC | CAB | 97.0° | 42.6° |
| CAE | NAD | CAC | CBD | 83.8° | 137.9° |
| CAC | NAD | CAE | OBC | 0.3° | 3.4° |
| NAD | CAC | CAB | CBD | 179.2° | 179.5° |
| NAD | CAC | CAB | CBH | 179.4° | 180.0° |
| NAD | CAC | CBD | CBE | 0.5° | 0.3° |
| NAD | CAC | CBD | CBF | 179.5° | 180.0° |
| OBC | CAE | NAD | H7 | 179.7° | 176.5° |
| CAB | CAC | CBD | CBE | 179.7° | 179.8° |
| CAB | CAC | CBD | CBF | 0.3° | 0.5° |
| CAC | CAB | CBH | CBG | 0.1° | 0.2° |
| CAC | CAB | CBH | H6 | 179.9° | 179.8° |
| CAB | CAC | NAD | H7 | 83.0° | 137.4° |
| CBD | CAC | CAB | CBH | 0.2° | 0.5° |
| CAC | CBD | CBE | CBF | 180.0° | 179.7° |
| CAC | CBD | CBF | CBG | 0.1° | 0.3° |
| CAC | CBD | CBE | H1 | 90.0° | 90.3° |
| CAC | CBD | CBE | H2 | 150.0° | 29.7° |
| CAC | CBD | CBE | H3 | 30.0° | 149.7° |
| CAC | CBD | CBF | H4 | 179.9° | 179.7° |
| CBD | CAC | NAD | H7 | 96.2° | 42.1° |
| CAB | CBH | CBG | H6 | 180.0° | 180.0° |
| CAB | CBH | CBG | CBF | 0.2° | 0.0° |
| CAB | CBH | CBG | H5 | 179.8° | 180.0° |
| CBE | CBD | CBF | CBG | 179.9° | 180.0° |
| CBD | CBE | H1 | H2 | 120.0° | 120.0° |
| CBD | CBE | H1 | H3 | 120.0° | 120.1° |
| CBD | CBE | H2 | H3 | 120.0° | 120.0° |
| CBE | CBD | CBF | H4 | 0.1° | 0.0° |
| CBD | CBF | CBG | CBH | 0.1° | 0.0° |
| CBD | CBF | CBG | H4 | 180.0° | 180.0° |
| CBF | CBD | CBE | H1 | 90.0° | 90.0° |
| CBF | CBD | CBE | H2 | 30.0° | 150.0° |
| CBF | CBD | CBE | H3 | 150.0° | 30.0° |
| CBD | CBF | CBG | H5 | 179.9° | 180.0° |
| CBH | CBG | CBF | H5 | 180.0° | 180.0° |
| CBH | CBG | CBF | H4 | 179.9° | 180.0° |
| CBF | CBG | CBH | H6 | 179.8° | 180.0° |
| H1 | CBE | H2 | H3 | 120.0° | 120.0° |
| H4 | CBF | CBG | H5 | 0.2° | 0.0° |
| H5 | CBG | CBH | H6 | 0.2° | 0.0° |
| H11 | CAL | CAM | H12 | 0.7° | 0.0° |
| H12 | CAM | CAN | H13 | 0.3° | 0.1° |
| H15 | CAX | H16 | H17 | 120.0° | 120.1° |
