65H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAP | sing | 1.39Å | 1.41Å | Aromatic |
| CAG | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| SAM | CAP | sing | 1.76Å | 1.82Å | |
| SAM | CAS | sing | 1.76Å | 1.98Å | |
| CAP | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAR | sing | 1.51Å | 1.53Å | |
| CAO | OAL | sing | 1.36Å | 1.42Å | |
| CAO | CAF | doub | 1.39Å | 1.42Å | Aromatic |
| OAL | CAA | sing | 1.43Å | 1.48Å | |
| CAH | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | CAS | doub | 1.35Å | 1.32Å | Aromatic |
| CAR | C5 | sing | 1.46Å | 1.33Å | Aromatic |
| CAS | NAV | sing | 1.37Å | 1.35Å | Aromatic |
| NAE | C6 | sing | 1.39Å | 1.34Å | |
| C5 | C6 | doub | 1.40Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.35Å | Aromatic |
| NAV | CAC | sing | 1.46Å | 1.38Å | |
| NAV | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.37Å | Aromatic |
| C2 | NAD | sing | 1.39Å | 1.30Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| NAE | H4 | sing | 0.97Å | 1.00Å | |
| NAE | H5 | sing | 0.97Å | 1.00Å | |
| NAD | H6 | sing | 0.97Å | 1.00Å | |
| NAD | H7 | sing | 0.97Å | 1.00Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAC | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAF | H12 | sing | 1.08Å | 1.08Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAI | CAP | 120.8° | 119.9° |
| CAI | CAG | CAO | 121.6° | 120.0° |
| CAI | CAG | H16 | 119.2° | 120.0° |
| CAG | CAI | H17 | 119.6° | 120.0° |
| CAI | CAP | SAM | 121.9° | 120.0° |
| CAI | CAP | CAH | 119.3° | 120.0° |
| CAP | CAI | H17 | 119.6° | 120.0° |
| CAG | CAO | OAL | 122.6° | 119.9° |
| CAG | CAO | CAF | 115.2° | 120.1° |
| CAO | CAG | H16 | 119.2° | 120.0° |
| CAP | SAM | CAS | 99.6° | 103.0° |
| SAM | CAP | CAH | 118.8° | 120.0° |
| SAM | CAS | CAR | 120.1° | 125.2° |
| SAM | CAS | NAV | 134.7° | 125.2° |
| CAP | CAH | CAF | 118.5° | 119.9° |
| CAP | CAH | H11 | 120.7° | 120.0° |
| CAB | CAR | CAS | 121.2° | 126.7° |
| CAB | CAR | C5 | 126.1° | 126.6° |
| CAR | CAB | H1 | 109.5° | 109.4° |
| CAR | CAB | H2 | 109.5° | 109.5° |
| CAR | CAB | H3 | 109.4° | 109.4° |
| OAL | CAO | CAF | 122.1° | 120.0° |
| CAO | OAL | CAA | 107.4° | 117.0° |
| CAO | CAF | CAH | 124.5° | 120.0° |
| CAO | CAF | H12 | 117.7° | 120.0° |
| OAL | CAA | H13 | 109.5° | 109.4° |
| OAL | CAA | H14 | 109.4° | 109.4° |
| OAL | CAA | H15 | 109.5° | 109.5° |
| CAF | CAH | H11 | 120.8° | 120.1° |
| CAH | CAF | H12 | 117.8° | 120.0° |
| CAS | CAR | C5 | 112.7° | 106.8° |
| CAR | CAS | NAV | 105.2° | 109.6° |
| CAR | C5 | C6 | 131.6° | 134.9° |
| CAR | C5 | C4 | 106.9° | 106.3° |
| CAS | NAV | CAC | 126.4° | 125.0° |
| CAS | NAV | C4 | 108.8° | 110.0° |
| NAE | C6 | C5 | 118.3° | 120.8° |
| NAE | C6 | N1 | 121.0° | 120.8° |
| C6 | NAE | H4 | 109.5° | 120.0° |
| C6 | NAE | H5 | 109.5° | 120.0° |
| C6 | C5 | C4 | 121.5° | 118.8° |
| C5 | C6 | N1 | 120.6° | 118.5° |
| C5 | C4 | NAV | 106.3° | 107.4° |
| C5 | C4 | N3 | 118.2° | 118.6° |
| CAC | NAV | C4 | 124.8° | 125.0° |
| NAV | CAC | H8 | 109.5° | 109.5° |
| NAV | CAC | H9 | 109.5° | 109.5° |
| NAV | CAC | H10 | 109.5° | 109.5° |
| NAV | C4 | N3 | 135.5° | 134.1° |
| C6 | N1 | C2 | 119.0° | 120.9° |
| C4 | N3 | C2 | 119.6° | 120.7° |
| N1 | C2 | N3 | 121.1° | 122.5° |
| N1 | C2 | NAD | 113.9° | 118.7° |
| N3 | C2 | NAD | 125.0° | 118.7° |
| C2 | NAD | H6 | 109.5° | 120.0° |
| C2 | NAD | H7 | 109.4° | 120.0° |
| H1 | CAB | H2 | 109.4° | 109.5° |
| H1 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H4 | NAE | H5 | 109.4° | 120.0° |
| H6 | NAD | H7 | 109.5° | 120.0° |
| H8 | CAC | H9 | 109.4° | 109.4° |
| H8 | CAC | H10 | 109.4° | 109.5° |
| H9 | CAC | H10 | 109.5° | 109.4° |
| H13 | CAA | H14 | 109.5° | 109.5° |
| H13 | CAA | H15 | 109.5° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAI | CAP | H17 | 180.0° | 179.5° |
| CAI | CAG | CAO | H16 | 180.0° | 179.8° |
| CAG | CAI | CAP | SAM | 179.2° | 179.8° |
| CAG | CAI | CAP | CAH | 1.2° | 0.5° |
| CAI | CAG | CAO | OAL | 178.1° | 179.7° |
| CAI | CAG | CAO | CAF | 0.3° | 0.2° |
| CAP | CAI | CAG | CAO | 0.7° | 0.4° |
| CAI | CAP | SAM | CAH | 179.6° | 179.8° |
| CAI | CAP | SAM | CAS | 146.4° | 0.3° |
| CAI | CAP | CAH | CAF | 1.3° | 0.3° |
| CAI | CAP | CAH | H11 | 178.7° | 179.8° |
| CAP | CAI | CAG | H16 | 179.4° | 179.8° |
| CAG | CAO | OAL | CAF | 177.6° | 179.9° |
| CAG | CAO | OAL | CAA | 150.3° | 0.1° |
| CAG | CAO | CAF | CAH | 0.5° | 0.0° |
| CAG | CAO | CAF | H12 | 179.5° | 180.0° |
| CAO | CAG | CAI | H17 | 179.3° | 179.9° |
| SAM | CAP | CAH | CAF | 179.0° | 180.0° |
| CAP | SAM | CAS | CAR | 112.6° | 120.0° |
| CAP | SAM | CAS | NAV | 66.8° | 60.2° |
| SAM | CAP | CAH | H11 | 0.9° | 0.0° |
| SAM | CAP | CAI | H17 | 0.8° | 0.3° |
| CAS | SAM | CAP | CAH | 34.0° | 180.0° |
| SAM | CAS | CAR | CAB | 0.3° | 0.0° |
| SAM | CAS | CAR | NAV | 179.6° | 179.9° |
| SAM | CAS | CAR | C5 | 178.7° | 180.0° |
| SAM | CAS | NAV | CAC | 0.2° | 0.2° |
| SAM | CAS | NAV | C4 | 178.9° | 179.8° |
| CAP | CAH | CAF | CAO | 1.0° | 0.0° |
| CAP | CAH | CAF | H11 | 180.0° | 180.0° |
| CAP | CAH | CAF | H12 | 179.0° | 180.0° |
| CAH | CAP | CAI | H17 | 178.8° | 180.0° |
| CAB | CAR | CAS | C5 | 179.1° | 180.0° |
| CAB | CAR | CAS | NAV | 179.3° | 179.8° |
| CAB | CAR | C5 | C6 | 1.0° | 0.1° |
| CAB | CAR | C5 | C4 | 179.9° | 180.0° |
| CAR | CAB | H1 | H2 | 120.0° | 120.0° |
| CAR | CAB | H1 | H3 | 120.0° | 120.0° |
| CAR | CAB | H2 | H3 | 120.0° | 119.9° |
| OAL | CAO | CAF | CAH | 178.3° | 180.0° |
| OAL | CAO | CAF | H12 | 1.7° | 0.0° |
| CAO | OAL | CAA | H13 | 180.0° | 180.0° |
| CAO | OAL | CAA | H14 | 60.0° | 60.0° |
| CAO | OAL | CAA | H15 | 60.0° | 60.0° |
| OAL | CAO | CAG | H16 | 1.9° | 0.1° |
| CAF | CAO | OAL | CAA | 27.4° | 180.0° |
| CAO | CAF | CAH | H12 | 180.0° | 180.0° |
| CAO | CAF | CAH | H11 | 179.0° | 180.0° |
| CAF | CAO | CAG | H16 | 179.7° | 180.0° |
| OAL | CAA | H13 | H14 | 120.0° | 120.0° |
| OAL | CAA | H13 | H15 | 120.0° | 120.0° |
| OAL | CAA | H14 | H15 | 120.0° | 120.0° |
| CAS | CAR | C5 | C6 | 178.0° | 179.9° |
| CAS | CAR | C5 | C4 | 1.1° | 0.0° |
| CAR | CAS | NAV | CAC | 179.4° | 179.7° |
| CAR | CAS | NAV | C4 | 1.6° | 0.3° |
| CAS | CAR | CAB | H1 | 90.5° | 90.0° |
| CAS | CAR | CAB | H2 | 149.5° | 150.0° |
| CAS | CAR | CAB | H3 | 29.6° | 30.0° |
| C5 | CAR | CAS | NAV | 1.7° | 0.2° |
| CAR | C5 | C6 | NAE | 2.8° | 0.0° |
| CAR | C5 | C6 | C4 | 179.0° | 179.9° |
| CAR | C5 | C4 | NAV | 0.1° | 0.1° |
| CAR | C5 | C6 | N1 | 178.0° | 179.9° |
| CAR | C5 | C4 | N3 | 178.6° | 180.0° |
| C5 | CAR | CAB | H1 | 90.6° | 90.1° |
| C5 | CAR | CAB | H2 | 29.4° | 30.0° |
| C5 | CAR | CAB | H3 | 149.4° | 149.9° |
| CAS | NAV | C4 | C5 | 0.9° | 0.3° |
| CAS | NAV | CAC | C4 | 178.9° | 179.9° |
| CAS | NAV | C4 | N3 | 179.2° | 180.0° |
| CAS | NAV | CAC | H8 | 180.0° | 90.0° |
| CAS | NAV | CAC | H9 | 60.0° | 30.0° |
| CAS | NAV | CAC | H10 | 60.0° | 149.9° |
| NAE | C6 | C5 | N1 | 175.2° | 180.0° |
| NAE | C6 | C5 | C4 | 178.2° | 179.9° |
| NAE | C6 | N1 | C2 | 177.7° | 180.0° |
| C6 | NAE | H4 | H5 | 120.0° | 179.8° |
| C6 | C5 | C4 | NAV | 179.1° | 179.8° |
| C6 | C5 | C4 | N3 | 2.2° | 0.0° |
| C5 | C6 | N1 | C2 | 2.6° | 0.0° |
| C5 | C6 | NAE | H4 | 175.2° | 0.1° |
| C5 | C6 | NAE | H5 | 64.8° | 179.9° |
| C5 | C4 | NAV | CAC | 180.0° | 179.7° |
| C5 | C4 | NAV | N3 | 178.3° | 179.8° |
| C4 | C5 | C6 | N1 | 3.0° | 0.0° |
| C5 | C4 | N3 | C2 | 1.2° | 0.0° |
| CAC | NAV | C4 | N3 | 1.7° | 0.1° |
| NAV | CAC | H8 | H9 | 120.0° | 120.0° |
| NAV | CAC | H8 | H10 | 120.0° | 120.1° |
| NAV | CAC | H9 | H10 | 120.0° | 120.0° |
| NAV | C4 | N3 | C2 | 179.3° | 179.7° |
| C4 | NAV | CAC | H8 | 1.0° | 89.9° |
| C4 | NAV | CAC | H9 | 121.0° | 150.1° |
| C4 | NAV | CAC | H10 | 118.9° | 30.1° |
| C6 | N1 | C2 | N3 | 1.6° | 0.0° |
| C6 | N1 | C2 | NAD | 178.2° | 180.0° |
| N1 | C6 | NAE | H4 | 0.0° | 179.9° |
| N1 | C6 | NAE | H5 | 120.0° | 0.1° |
| C4 | N3 | C2 | N1 | 0.9° | 0.0° |
| C4 | N3 | C2 | NAD | 178.9° | 180.0° |
| N1 | C2 | N3 | NAD | 179.8° | 180.0° |
| N1 | C2 | NAD | H6 | 0.0° | 0.0° |
| N1 | C2 | NAD | H7 | 120.0° | 180.0° |
| N3 | C2 | NAD | H6 | 179.8° | 180.0° |
| N3 | C2 | NAD | H7 | 60.2° | 0.0° |
| C2 | NAD | H6 | H7 | 120.0° | 179.9° |
| H1 | CAB | H2 | H3 | 120.0° | 120.1° |
| H8 | CAC | H9 | H10 | 120.0° | 120.0° |
| H11 | CAH | CAF | H12 | 1.0° | 0.0° |
| H13 | CAA | H14 | H15 | 120.0° | 120.1° |
| H16 | CAG | CAI | H17 | 0.6° | 0.2° |
