YJV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLAD | CAQ | sing | 1.74Å | 1.72Å | |
| CAK | NAM | doub | 1.32Å | 1.36Å | Aromatic |
| CAK | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| NAM | CAG | sing | 1.32Å | 1.40Å | Aromatic |
| CAQ | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | NAN | sing | 1.40Å | 1.37Å | |
| CAR | CAH | sing | 1.39Å | 1.45Å | Aromatic |
| NAN | C | sing | 1.35Å | 1.38Å | |
| C | O | doub | 1.21Å | 1.20Å | |
| C | CA | sing | 1.51Å | 1.49Å | |
| CA | N | sing | 1.46Å | 1.39Å | |
| CAJ | N | sing | 1.37Å | 1.41Å | Aromatic |
| CAJ | CAI | doub | 1.34Å | 1.37Å | Aromatic |
| N | CAS | sing | 1.36Å | 1.38Å | Aromatic |
| CAI | CAT | sing | 1.46Å | 1.40Å | Aromatic |
| CAS | CAT | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | CAE | sing | 1.41Å | 1.41Å | |
| CAT | CAP | sing | 1.41Å | 1.43Å | |
| CAE | CAF | doub | 1.35Å | 1.37Å | |
| CAP | OAC | doub | 1.22Å | 1.23Å | |
| CAP | NAV | sing | 1.35Å | 1.43Å | |
| CAF | NAV | sing | 1.37Å | 1.38Å | |
| NAV | CAA | sing | 1.46Å | 1.51Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| NAN | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLAD | CAQ | CAK | 115.0° | 120.5° |
| CLAD | CAQ | CAR | 123.7° | 120.5° |
| NAM | CAK | CAQ | 122.8° | 120.9° |
| CAK | NAM | CAG | 117.5° | 121.8° |
| NAM | CAK | H1 | 118.6° | 119.5° |
| CAK | CAQ | CAR | 121.2° | 119.0° |
| CAQ | CAK | H1 | 118.6° | 119.6° |
| NAM | CAG | CAH | 121.9° | 120.9° |
| NAM | CAG | H11 | 119.0° | 119.5° |
| CAQ | CAR | NAN | 118.0° | 120.9° |
| CAQ | CAR | CAH | 117.2° | 118.2° |
| CAG | CAH | CAR | 119.4° | 119.1° |
| CAG | CAH | H2 | 120.3° | 120.5° |
| CAH | CAG | H11 | 119.1° | 119.6° |
| NAN | CAR | CAH | 124.8° | 120.9° |
| CAR | NAN | C | 127.8° | 120.0° |
| CAR | NAN | H13 | 116.1° | 120.0° |
| CAR | CAH | H2 | 120.3° | 120.4° |
| NAN | C | O | 122.4° | 120.0° |
| NAN | C | CA | 117.6° | 119.9° |
| C | NAN | H13 | 116.1° | 120.1° |
| O | C | CA | 119.9° | 120.0° |
| C | CA | N | 117.4° | 109.4° |
| C | CA | H6 | 107.5° | 109.5° |
| C | CA | H7 | 107.4° | 109.5° |
| CA | N | CAJ | 126.3° | 125.0° |
| CA | N | CAS | 126.3° | 125.0° |
| N | CA | H6 | 107.4° | 109.5° |
| N | CA | H7 | 107.4° | 109.5° |
| N | CAJ | CAI | 109.7° | 109.6° |
| CAJ | N | CAS | 107.4° | 110.0° |
| N | CAJ | H12 | 125.1° | 125.2° |
| CAJ | CAI | CAT | 105.9° | 106.8° |
| CAJ | CAI | H5 | 127.0° | 126.6° |
| CAI | CAJ | H12 | 125.1° | 125.2° |
| N | CAS | CAT | 107.4° | 107.4° |
| N | CAS | CAE | 133.6° | 133.9° |
| CAI | CAT | CAS | 109.6° | 106.2° |
| CAI | CAT | CAP | 126.6° | 134.5° |
| CAT | CAI | H5 | 127.0° | 126.6° |
| CAT | CAS | CAE | 119.0° | 118.6° |
| CAS | CAT | CAP | 123.8° | 119.3° |
| CAS | CAE | CAF | 118.5° | 119.8° |
| CAS | CAE | H4 | 120.8° | 120.1° |
| CAT | CAP | OAC | 124.2° | 120.3° |
| CAT | CAP | NAV | 114.4° | 119.5° |
| CAE | CAF | NAV | 123.0° | 121.5° |
| CAE | CAF | H3 | 118.5° | 119.3° |
| CAF | CAE | H4 | 120.7° | 120.1° |
| OAC | CAP | NAV | 121.2° | 120.3° |
| CAP | NAV | CAF | 121.2° | 121.3° |
| CAP | NAV | CAA | 117.2° | 119.4° |
| CAF | NAV | CAA | 121.5° | 119.4° |
| NAV | CAF | H3 | 118.5° | 119.2° |
| NAV | CAA | H8 | 109.5° | 109.5° |
| NAV | CAA | H9 | 109.5° | 109.4° |
| NAV | CAA | H10 | 109.5° | 109.5° |
| H6 | CA | H7 | 109.5° | 109.5° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H8 | CAA | H10 | 109.5° | 109.5° |
| H9 | CAA | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLAD | CAQ | CAK | NAM | 178.4° | 180.0° |
| CLAD | CAQ | CAK | CAR | 178.2° | 180.0° |
| CLAD | CAQ | CAR | NAN | 0.3° | 0.0° |
| CLAD | CAQ | CAR | CAH | 177.8° | 180.0° |
| CLAD | CAQ | CAK | H1 | 1.7° | 0.2° |
| NAM | CAK | CAQ | H1 | 180.0° | 179.8° |
| NAM | CAK | CAQ | CAR | 0.1° | 0.1° |
| CAK | NAM | CAG | CAH | 0.2° | 0.1° |
| CAK | NAM | CAG | H11 | 179.8° | 180.0° |
| CAQ | CAK | NAM | CAG | 0.3° | 0.1° |
| CAK | CAQ | CAR | NAN | 178.4° | 179.9° |
| CAK | CAQ | CAR | CAH | 0.3° | 0.0° |
| NAM | CAG | CAH | H11 | 180.0° | 180.0° |
| NAM | CAG | CAH | CAR | 0.2° | 0.0° |
| CAG | NAM | CAK | H1 | 179.7° | 179.7° |
| NAM | CAG | CAH | H2 | 179.8° | 180.0° |
| CAQ | CAR | CAH | CAG | 0.4° | 0.0° |
| CAQ | CAR | NAN | CAH | 178.0° | 179.9° |
| CAQ | CAR | NAN | C | 163.9° | 146.0° |
| CAR | CAQ | CAK | H1 | 179.9° | 179.8° |
| CAQ | CAR | CAH | H2 | 179.6° | 180.0° |
| CAQ | CAR | NAN | H13 | 16.1° | 34.0° |
| CAG | CAH | CAR | NAN | 178.4° | 180.0° |
| CAG | CAH | CAR | H2 | 180.0° | 180.0° |
| CAR | NAN | C | H13 | 180.0° | 180.0° |
| CAR | NAN | C | O | 2.1° | 4.2° |
| CAR | NAN | C | CA | 178.9° | 175.8° |
| NAN | CAR | CAH | H2 | 1.6° | 0.0° |
| CAH | CAR | NAN | C | 18.0° | 34.0° |
| CAR | CAH | CAG | H11 | 179.8° | 180.0° |
| CAH | CAR | NAN | H13 | 162.0° | 146.0° |
| NAN | C | O | CA | 179.0° | 180.0° |
| NAN | C | CA | N | 174.4° | 180.0° |
| NAN | C | CA | H6 | 53.3° | 60.1° |
| NAN | C | CA | H7 | 64.5° | 60.0° |
| O | C | CA | N | 4.6° | 0.0° |
| O | C | CA | H6 | 125.8° | 119.9° |
| O | C | CA | H7 | 116.5° | 120.0° |
| O | C | NAN | H13 | 177.9° | 175.8° |
| C | CA | N | H6 | 121.1° | 119.9° |
| C | CA | N | H7 | 121.1° | 120.0° |
| C | CA | N | CAJ | 109.7° | 95.0° |
| C | CA | N | CAS | 71.9° | 85.1° |
| C | CA | H6 | H7 | 116.4° | 120.0° |
| CA | C | NAN | H13 | 1.1° | 4.2° |
| CA | N | CAJ | CAS | 178.7° | 180.0° |
| CA | N | CAJ | CAI | 178.5° | 180.0° |
| CA | N | CAS | CAT | 177.9° | 180.0° |
| CA | N | CAS | CAE | 1.2° | 0.1° |
| N | CA | H6 | H7 | 116.4° | 120.1° |
| CA | N | CAJ | H12 | 1.5° | 0.0° |
| N | CAJ | CAI | H12 | 180.0° | 180.0° |
| N | CAJ | CAI | CAT | 0.5° | 0.0° |
| CAJ | N | CAS | CAT | 0.8° | 0.0° |
| CAJ | N | CAS | CAE | 179.9° | 180.0° |
| N | CAJ | CAI | H5 | 179.5° | 179.9° |
| CAJ | N | CA | H6 | 11.4° | 25.0° |
| CAJ | N | CA | H7 | 129.2° | 145.1° |
| CAI | CAJ | N | CAS | 0.1° | 0.0° |
| CAJ | CAI | CAT | H5 | 180.0° | 179.9° |
| CAJ | CAI | CAT | CAS | 1.0° | 0.0° |
| CAJ | CAI | CAT | CAP | 178.6° | 179.9° |
| N | CAS | CAT | CAI | 1.1° | 0.0° |
| N | CAS | CAT | CAE | 179.3° | 179.9° |
| N | CAS | CAT | CAP | 178.6° | 180.0° |
| N | CAS | CAE | CAF | 179.3° | 180.0° |
| N | CAS | CAE | H4 | 0.7° | 0.1° |
| CAS | N | CA | H6 | 167.0° | 155.0° |
| CAS | N | CA | H7 | 49.3° | 34.9° |
| CAS | N | CAJ | H12 | 179.8° | 179.9° |
| CAI | CAT | CAS | CAP | 179.7° | 180.0° |
| CAI | CAT | CAS | CAE | 179.6° | 180.0° |
| CAI | CAT | CAP | OAC | 2.5° | 0.1° |
| CAI | CAT | CAP | NAV | 178.4° | 179.9° |
| CAT | CAI | CAJ | H12 | 179.5° | 180.0° |
| CAT | CAS | CAE | CAF | 0.2° | 0.1° |
| CAS | CAT | CAP | OAC | 177.9° | 180.0° |
| CAS | CAT | CAP | NAV | 2.0° | 0.1° |
| CAT | CAS | CAE | H4 | 179.8° | 180.0° |
| CAS | CAT | CAI | H5 | 179.0° | 179.9° |
| CAE | CAS | CAT | CAP | 0.7° | 0.0° |
| CAS | CAE | CAF | H4 | 180.0° | 179.9° |
| CAS | CAE | CAF | NAV | 0.2° | 0.0° |
| CAS | CAE | CAF | H3 | 179.8° | 179.8° |
| CAT | CAP | OAC | NAV | 175.6° | 179.8° |
| CAT | CAP | NAV | CAF | 2.4° | 0.2° |
| CAT | CAP | NAV | CAA | 179.5° | 179.7° |
| CAP | CAT | CAI | H5 | 1.4° | 0.2° |
| CAE | CAF | NAV | CAP | 1.7° | 0.1° |
| CAE | CAF | NAV | H3 | 180.0° | 179.7° |
| CAE | CAF | NAV | CAA | 179.6° | 179.7° |
| OAC | CAP | NAV | CAF | 178.4° | 180.0° |
| OAC | CAP | NAV | CAA | 3.5° | 0.4° |
| CAP | NAV | CAF | CAA | 178.0° | 179.6° |
| CAP | NAV | CAF | H3 | 178.3° | 179.6° |
| CAP | NAV | CAA | H8 | 180.0° | 179.6° |
| CAP | NAV | CAA | H9 | 60.0° | 60.3° |
| CAP | NAV | CAA | H10 | 60.0° | 59.6° |
| NAV | CAF | CAE | H4 | 179.8° | 179.9° |
| CAF | NAV | CAA | H8 | 2.0° | 0.1° |
| CAF | NAV | CAA | H9 | 122.0° | 120.1° |
| CAF | NAV | CAA | H10 | 118.1° | 120.0° |
| CAA | NAV | CAF | H3 | 0.4° | 0.1° |
| NAV | CAA | H8 | H9 | 120.0° | 120.0° |
| NAV | CAA | H8 | H10 | 120.0° | 120.1° |
| NAV | CAA | H9 | H10 | 120.0° | 120.0° |
| H2 | CAH | CAG | H11 | 0.2° | 0.1° |
| H3 | CAF | CAE | H4 | 0.2° | 0.3° |
| H5 | CAI | CAJ | H12 | 0.5° | 0.1° |
| H8 | CAA | H9 | H10 | 120.0° | 120.0° |
