YND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLAC | CAP | sing | 1.74Å | 1.69Å | |
| CAI | NAK | doub | 1.32Å | 1.33Å | Aromatic |
| CAI | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| NAK | CAD | sing | 1.32Å | 1.35Å | Aromatic |
| CAP | CAQ | doub | 1.39Å | 1.37Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAE | sing | 1.39Å | 1.42Å | Aromatic |
| CAQ | NAM | sing | 1.40Å | 1.37Å | |
| NAM | C | sing | 1.35Å | 1.35Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.48Å | |
| CA | N | sing | 1.47Å | 1.41Å | |
| CAG | N | sing | 1.37Å | 1.42Å | Aromatic |
| CAG | CAF | doub | 1.34Å | 1.38Å | Aromatic |
| N | CAT | sing | 1.36Å | 1.33Å | Aromatic |
| CAF | CAS | sing | 1.46Å | 1.43Å | Aromatic |
| CAT | CAS | doub | 1.40Å | 1.38Å | Aromatic |
| CAT | NAL | sing | 1.34Å | 1.36Å | |
| CAS | CAR | sing | 1.41Å | 1.43Å | |
| NAL | CAH | doub | 1.30Å | 1.30Å | |
| CAR | OAB | doub | 1.22Å | 1.23Å | |
| CAR | NAN | sing | 1.35Å | 1.42Å | |
| CAH | NAN | sing | 1.36Å | 1.37Å | |
| NAN | C1 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAM | HNA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLAC | CAP | CAI | 116.4° | 120.5° |
| CLAC | CAP | CAQ | 122.6° | 120.4° |
| NAK | CAI | CAP | 123.0° | 120.8° |
| CAI | NAK | CAD | 116.8° | 121.8° |
| NAK | CAI | HAI | 118.5° | 119.5° |
| CAI | CAP | CAQ | 121.0° | 119.1° |
| CAP | CAI | HAI | 118.5° | 119.6° |
| NAK | CAD | CAE | 123.3° | 120.9° |
| NAK | CAD | HAD | 118.3° | 119.6° |
| CAP | CAQ | CAE | 116.0° | 118.2° |
| CAP | CAQ | NAM | 121.4° | 120.9° |
| CAD | CAE | CAQ | 119.8° | 119.1° |
| CAE | CAD | HAD | 118.4° | 119.6° |
| CAD | CAE | HAE | 120.1° | 120.5° |
| CAE | CAQ | NAM | 122.5° | 120.8° |
| CAQ | CAE | HAE | 120.1° | 120.4° |
| CAQ | NAM | C | 128.8° | 120.1° |
| CAQ | NAM | HNA | 115.6° | 120.0° |
| NAM | C | O | 123.9° | 119.9° |
| NAM | C | CA | 115.8° | 120.0° |
| C | NAM | HNA | 115.6° | 120.0° |
| O | C | CA | 120.2° | 120.0° |
| C | CA | N | 115.0° | 109.4° |
| C | CA | HA2 | 108.1° | 109.5° |
| C | CA | HA1 | 108.1° | 109.5° |
| CA | N | CAG | 121.6° | 125.0° |
| CA | N | CAT | 129.7° | 124.9° |
| N | CA | HA2 | 108.0° | 109.4° |
| N | CA | HA1 | 108.1° | 109.5° |
| N | CAG | CAF | 108.2° | 109.6° |
| CAG | N | CAT | 108.7° | 110.1° |
| N | CAG | HAG | 125.9° | 125.2° |
| CAG | CAF | CAS | 105.5° | 106.7° |
| CAG | CAF | HAF | 127.2° | 126.7° |
| CAF | CAG | HAG | 125.9° | 125.2° |
| N | CAT | CAS | 109.2° | 107.2° |
| N | CAT | NAL | 126.2° | 133.7° |
| CAF | CAS | CAT | 108.4° | 106.4° |
| CAF | CAS | CAR | 131.0° | 134.7° |
| CAS | CAF | HAF | 127.2° | 126.7° |
| CAS | CAT | NAL | 124.6° | 119.1° |
| CAT | CAS | CAR | 120.6° | 118.9° |
| CAT | NAL | CAH | 114.6° | 121.3° |
| CAS | CAR | OAB | 128.7° | 121.0° |
| CAS | CAR | NAN | 112.0° | 118.0° |
| NAL | CAH | NAN | 125.8° | 122.4° |
| NAL | CAH | HAH | 117.1° | 118.8° |
| OAB | CAR | NAN | 119.3° | 121.0° |
| CAR | NAN | CAH | 122.4° | 120.3° |
| CAR | NAN | C1 | 116.9° | 119.9° |
| CAH | NAN | C1 | 120.7° | 119.8° |
| NAN | CAH | HAH | 117.1° | 118.8° |
| NAN | C1 | H1 | 109.5° | 109.5° |
| NAN | C1 | H2 | 109.4° | 109.5° |
| NAN | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| HA2 | CA | HA1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLAC | CAP | CAI | NAK | 178.4° | 179.9° |
| CLAC | CAP | CAI | CAQ | 178.5° | 179.2° |
| CLAC | CAP | CAQ | CAE | 177.5° | 179.7° |
| CLAC | CAP | CAQ | NAM | 1.2° | 0.4° |
| CLAC | CAP | CAI | HAI | 1.6° | 0.5° |
| NAK | CAI | CAP | HAI | 180.0° | 179.5° |
| NAK | CAI | CAP | CAQ | 0.1° | 0.8° |
| CAI | NAK | CAD | CAE | 0.6° | 0.0° |
| CAI | NAK | CAD | HAD | 179.4° | 179.8° |
| CAP | CAI | NAK | CAD | 0.0° | 0.5° |
| CAI | CAP | CAQ | CAE | 0.8° | 0.6° |
| CAI | CAP | CAQ | NAM | 177.2° | 179.5° |
| NAK | CAD | CAE | HAD | 180.0° | 179.7° |
| NAK | CAD | CAE | CAQ | 1.4° | 0.2° |
| NAK | CAD | CAE | HAE | 178.6° | 179.8° |
| CAD | NAK | CAI | HAI | 179.9° | 180.0° |
| CAP | CAQ | CAE | CAD | 1.4° | 0.1° |
| CAP | CAQ | CAE | NAM | 176.3° | 179.9° |
| CAP | CAQ | NAM | C | 164.3° | 146.0° |
| CAP | CAQ | CAE | HAE | 178.5° | 179.9° |
| CAQ | CAP | CAI | HAI | 179.9° | 179.7° |
| CAP | CAQ | NAM | HNA | 15.7° | 33.9° |
| CAD | CAE | CAQ | HAE | 180.0° | 180.0° |
| CAD | CAE | CAQ | NAM | 177.7° | 180.0° |
| CAE | CAQ | NAM | C | 19.6° | 34.0° |
| CAQ | CAE | CAD | HAD | 178.6° | 180.0° |
| CAE | CAQ | NAM | HNA | 160.4° | 146.0° |
| CAQ | NAM | C | HNA | 180.0° | 179.9° |
| CAQ | NAM | C | O | 3.5° | 4.2° |
| CAQ | NAM | C | CA | 178.7° | 175.8° |
| NAM | CAQ | CAE | HAE | 2.2° | 0.0° |
| NAM | C | O | CA | 177.7° | 180.0° |
| NAM | C | CA | N | 172.1° | 180.0° |
| NAM | C | CA | HA2 | 51.3° | 60.1° |
| NAM | C | CA | HA1 | 67.1° | 60.0° |
| O | C | CA | N | 5.8° | 0.0° |
| O | C | CA | HA2 | 126.6° | 120.0° |
| O | C | CA | HA1 | 115.0° | 120.0° |
| O | C | NAM | HNA | 176.5° | 175.8° |
| C | CA | N | HA2 | 120.8° | 120.0° |
| C | CA | N | HA1 | 120.8° | 120.0° |
| C | CA | N | CAG | 101.1° | 94.7° |
| C | CA | N | CAT | 81.0° | 85.0° |
| C | CA | HA2 | HA1 | 117.5° | 120.1° |
| CA | C | NAM | HNA | 1.4° | 4.2° |
| CA | N | CAG | CAT | 178.3° | 179.8° |
| CA | N | CAG | CAF | 178.3° | 179.7° |
| CA | N | CAT | CAS | 178.4° | 180.0° |
| CA | N | CAT | NAL | 1.5° | 0.0° |
| N | CA | HA2 | HA1 | 117.5° | 120.0° |
| CA | N | CAG | HAG | 1.7° | 0.3° |
| N | CAG | CAF | HAG | 180.0° | 180.0° |
| N | CAG | CAF | CAS | 0.3° | 0.2° |
| CAG | N | CAT | CAS | 0.3° | 0.2° |
| CAG | N | CAT | NAL | 179.6° | 179.7° |
| CAG | N | CA | HA2 | 19.7° | 25.3° |
| CAG | N | CA | HA1 | 138.1° | 145.3° |
| N | CAG | CAF | HAF | 179.7° | 179.9° |
| CAF | CAG | N | CAT | 0.0° | 0.0° |
| CAG | CAF | CAS | HAF | 180.0° | 179.7° |
| CAG | CAF | CAS | CAT | 0.5° | 0.3° |
| CAG | CAF | CAS | CAR | 178.3° | 179.6° |
| N | CAT | CAS | CAF | 0.5° | 0.3° |
| N | CAT | CAS | NAL | 180.0° | 179.9° |
| N | CAT | CAS | CAR | 178.6° | 179.6° |
| N | CAT | NAL | CAH | 178.9° | 180.0° |
| CAT | N | CA | HA2 | 158.2° | 155.0° |
| CAT | N | CA | HA1 | 39.8° | 35.0° |
| CAT | N | CAG | HAG | 180.0° | 180.0° |
| CAF | CAS | CAT | CAR | 178.1° | 179.9° |
| CAF | CAS | CAT | NAL | 179.4° | 179.6° |
| CAF | CAS | CAR | OAB | 2.0° | 0.1° |
| CAF | CAS | CAR | NAN | 179.0° | 179.3° |
| CAS | CAF | CAG | HAG | 179.7° | 179.8° |
| CAS | CAT | NAL | CAH | 1.0° | 0.1° |
| CAT | CAS | CAR | OAB | 179.7° | 179.9° |
| CAT | CAS | CAR | NAN | 1.4° | 0.8° |
| CAT | CAS | CAF | HAF | 179.5° | 180.0° |
| NAL | CAT | CAS | CAR | 1.3° | 0.4° |
| CAT | NAL | CAH | NAN | 0.9° | 0.0° |
| CAT | NAL | CAH | HAH | 179.1° | 180.0° |
| CAS | CAR | OAB | NAN | 178.9° | 179.2° |
| CAS | CAR | NAN | CAH | 1.3° | 0.7° |
| CAS | CAR | NAN | C1 | 179.3° | 179.6° |
| CAR | CAS | CAF | HAF | 1.7° | 0.1° |
| NAL | CAH | NAN | CAR | 1.2° | 0.4° |
| NAL | CAH | NAN | HAH | 180.0° | 180.0° |
| NAL | CAH | NAN | C1 | 179.5° | 179.9° |
| OAB | CAR | NAN | CAH | 179.6° | 179.9° |
| OAB | CAR | NAN | C1 | 0.2° | 0.4° |
| CAR | NAN | CAH | C1 | 179.4° | 179.7° |
| CAR | NAN | C1 | H1 | 180.0° | 179.6° |
| CAR | NAN | C1 | H2 | 60.0° | 59.6° |
| CAR | NAN | C1 | H3 | 60.0° | 60.3° |
| CAR | NAN | CAH | HAH | 178.9° | 179.6° |
| CAH | NAN | C1 | H1 | 0.6° | 0.0° |
| CAH | NAN | C1 | H2 | 120.6° | 120.1° |
| CAH | NAN | C1 | H3 | 119.4° | 120.0° |
| NAN | C1 | H1 | H2 | 120.0° | 120.0° |
| NAN | C1 | H1 | H3 | 120.0° | 120.0° |
| NAN | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | NAN | CAH | HAH | 0.5° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| HAD | CAD | CAE | HAE | 1.4° | 0.0° |
| HAF | CAF | CAG | HAG | 0.3° | 0.1° |
