2DN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | SBD | doub | 1.42Å | 1.49Å | |
| CAB | CAT | sing | 1.51Å | 1.51Å | |
| OAC | CAT | doub | 1.21Å | 1.23Å | |
| CAT | NAP | sing | 1.35Å | 1.35Å | |
| NAP | CAX | sing | 1.39Å | 1.33Å | |
| NAN | CAX | doub | 1.30Å | 1.34Å | Aromatic |
| NAN | NAO | sing | 1.26Å | 1.37Å | Aromatic |
| CAX | SAS | sing | 1.71Å | 1.70Å | Aromatic |
| NAO | CAZ | doub | 1.30Å | 1.32Å | Aromatic |
| SAS | CAZ | sing | 1.76Å | 1.75Å | Aromatic |
| CAZ | SBD | sing | 1.76Å | 1.65Å | |
| SBD | OAG | doub | 1.42Å | 1.55Å | |
| SBD | NAQ | sing | 1.66Å | 1.69Å | |
| NAQ | CAV | sing | 1.35Å | 1.37Å | |
| CAV | OAE | doub | 1.22Å | 1.24Å | |
| CAV | CAY | sing | 1.47Å | 1.39Å | |
| CAY | CAL | doub | 1.36Å | 1.38Å | Aromatic |
| CAY | N | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CBA | sing | 1.42Å | 1.40Å | Aromatic |
| OXT | C | doub | 1.21Å | 1.21Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.48Å | |
| N | CA | sing | 1.47Å | 1.53Å | |
| N | CBB | sing | 1.38Å | 1.34Å | Aromatic |
| CBA | CAK | doub | 1.40Å | 1.35Å | Aromatic |
| CBA | CBB | sing | 1.41Å | 1.38Å | Aromatic |
| CAK | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CBB | CAJ | doub | 1.39Å | 1.37Å | Aromatic |
| CAW | OAR | sing | 1.36Å | 1.34Å | |
| CAW | CAI | doub | 1.39Å | 1.43Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | OAR | sing | 1.43Å | 1.48Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| NAQ | H11 | sing | 0.97Å | 1.00Å | |
| NAP | H12 | sing | 0.97Å | 1.00Å | |
| CAB | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | SBD | CAZ | 111.4° | 106.4° |
| OAF | SBD | OAG | 108.2° | 123.1° |
| OAF | SBD | NAQ | 107.3° | 106.4° |
| CAB | CAT | OAC | 118.8° | 120.0° |
| CAB | CAT | NAP | 114.0° | 120.0° |
| CAT | CAB | H13 | 109.5° | 109.5° |
| CAT | CAB | H14 | 109.5° | 109.5° |
| CAT | CAB | H15 | 109.5° | 109.5° |
| OAC | CAT | NAP | 127.2° | 120.0° |
| CAT | NAP | CAX | 120.7° | 120.0° |
| CAT | NAP | H12 | 119.6° | 120.1° |
| NAP | CAX | NAN | 123.4° | 125.6° |
| NAP | CAX | SAS | 125.4° | 125.7° |
| CAX | NAP | H12 | 119.7° | 120.0° |
| CAX | NAN | NAO | 114.6° | 117.7° |
| NAN | CAX | SAS | 111.1° | 108.7° |
| NAN | NAO | CAZ | 113.0° | 116.6° |
| CAX | SAS | CAZ | 90.0° | 89.3° |
| NAO | CAZ | SAS | 111.2° | 107.7° |
| NAO | CAZ | SBD | 126.5° | 126.1° |
| SAS | CAZ | SBD | 122.2° | 126.1° |
| CAZ | SBD | OAG | 104.5° | 106.4° |
| CAZ | SBD | NAQ | 110.3° | 107.2° |
| OAG | SBD | NAQ | 115.1° | 106.4° |
| SBD | NAQ | CAV | 119.4° | 120.0° |
| SBD | NAQ | H11 | 120.3° | 120.1° |
| NAQ | CAV | OAE | 119.4° | 120.0° |
| NAQ | CAV | CAY | 118.6° | 120.0° |
| CAV | NAQ | H11 | 120.3° | 119.9° |
| OAE | CAV | CAY | 122.0° | 120.0° |
| CAV | CAY | CAL | 126.7° | 125.4° |
| CAV | CAY | N | 123.9° | 125.4° |
| CAL | CAY | N | 109.0° | 109.2° |
| CAY | CAL | CBA | 105.1° | 107.8° |
| CAY | CAL | H10 | 127.5° | 126.2° |
| CAY | N | CA | 125.4° | 125.6° |
| CAY | N | CBB | 109.2° | 108.8° |
| CAL | CBA | CAK | 132.6° | 133.3° |
| CAL | CBA | CBB | 109.4° | 107.0° |
| CBA | CAL | H10 | 127.5° | 126.1° |
| OXT | C | O | 121.1° | 120.1° |
| OXT | C | CA | 118.8° | 120.0° |
| O | C | CA | 120.0° | 120.0° |
| C | O | H1 | 109.5° | 117.0° |
| C | CA | N | 118.5° | 109.5° |
| C | CA | H2 | 107.2° | 109.5° |
| C | CA | H3 | 107.2° | 109.5° |
| CA | N | CBB | 125.2° | 125.6° |
| N | CA | H2 | 107.2° | 109.4° |
| N | CA | H3 | 107.2° | 109.4° |
| N | CBB | CBA | 107.2° | 107.3° |
| N | CBB | CAJ | 131.0° | 133.0° |
| CAK | CBA | CBB | 118.0° | 119.7° |
| CBA | CAK | CAW | 122.8° | 119.7° |
| CBA | CAK | H9 | 118.6° | 120.2° |
| CBA | CBB | CAJ | 121.7° | 119.6° |
| CAK | CAW | OAR | 123.5° | 119.8° |
| CAK | CAW | CAI | 119.0° | 120.3° |
| CAW | CAK | H9 | 118.6° | 120.2° |
| CBB | CAJ | CAI | 121.6° | 120.0° |
| CBB | CAJ | H4 | 119.2° | 120.0° |
| OAR | CAW | CAI | 117.4° | 119.8° |
| CAW | OAR | CAA | 129.8° | 117.0° |
| CAW | CAI | CAJ | 116.7° | 120.6° |
| CAW | CAI | H5 | 121.7° | 119.7° |
| CAI | CAJ | H4 | 119.2° | 120.0° |
| CAJ | CAI | H5 | 121.6° | 119.7° |
| OAR | CAA | H6 | 109.5° | 109.5° |
| OAR | CAA | H7 | 109.5° | 109.5° |
| OAR | CAA | H8 | 109.4° | 109.5° |
| H2 | CA | H3 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H13 | CAB | H14 | 109.5° | 109.4° |
| H13 | CAB | H15 | 109.5° | 109.5° |
| H14 | CAB | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | SBD | CAZ | NAO | 54.8° | 113.9° |
| OAF | SBD | CAZ | SAS | 121.6° | 66.4° |
| OAF | SBD | CAZ | OAG | 116.6° | 132.9° |
| OAF | SBD | CAZ | NAQ | 119.2° | 113.6° |
| OAF | SBD | OAG | NAQ | 120.0° | 122.9° |
| OAF | SBD | NAQ | CAV | 172.9° | 178.6° |
| OAF | SBD | NAQ | H11 | 7.1° | 1.4° |
| CAB | CAT | OAC | NAP | 179.5° | 179.9° |
| CAB | CAT | NAP | CAX | 179.0° | 180.0° |
| CAB | CAT | NAP | H12 | 1.0° | 0.0° |
| CAT | CAB | H13 | H14 | 120.0° | 120.1° |
| CAT | CAB | H13 | H15 | 120.0° | 120.1° |
| CAT | CAB | H14 | H15 | 120.0° | 120.0° |
| OAC | CAT | NAP | CAX | 1.5° | 0.0° |
| OAC | CAT | NAP | H12 | 178.5° | 180.0° |
| OAC | CAT | CAB | H13 | 0.0° | 119.9° |
| OAC | CAT | CAB | H14 | 120.0° | 0.1° |
| OAC | CAT | CAB | H15 | 120.0° | 120.0° |
| CAT | NAP | CAX | H12 | 180.0° | 180.0° |
| CAT | NAP | CAX | NAN | 167.6° | 0.0° |
| CAT | NAP | CAX | SAS | 9.0° | 179.9° |
| NAP | CAT | CAB | H13 | 179.5° | 60.0° |
| NAP | CAT | CAB | H14 | 59.5° | 180.0° |
| NAP | CAT | CAB | H15 | 60.5° | 60.0° |
| NAP | CAX | NAN | SAS | 177.1° | 179.9° |
| NAP | CAX | NAN | NAO | 179.7° | 180.0° |
| NAP | CAX | SAS | CAZ | 179.3° | 179.9° |
| CAX | NAN | NAO | CAZ | 1.4° | 0.2° |
| NAN | CAX | SAS | CAZ | 2.3° | 0.2° |
| NAN | CAX | NAP | H12 | 12.4° | 180.0° |
| NAO | NAN | CAX | SAS | 2.6° | 0.1° |
| NAN | NAO | CAZ | SAS | 0.5° | 0.3° |
| NAN | NAO | CAZ | SBD | 177.2° | 180.0° |
| CAX | SAS | CAZ | NAO | 1.6° | 0.3° |
| CAX | SAS | CAZ | SBD | 178.5° | 180.0° |
| SAS | CAX | NAP | H12 | 171.0° | 0.1° |
| NAO | CAZ | SAS | SBD | 176.9° | 179.7° |
| NAO | CAZ | SBD | OAG | 171.3° | 113.2° |
| NAO | CAZ | SBD | NAQ | 64.4° | 0.3° |
| SAS | CAZ | SBD | OAG | 5.0° | 66.5° |
| SAS | CAZ | SBD | NAQ | 119.3° | 180.0° |
| CAZ | SBD | OAG | NAQ | 121.2° | 114.1° |
| CAZ | SBD | NAQ | CAV | 51.3° | 65.0° |
| CAZ | SBD | NAQ | H11 | 128.7° | 115.0° |
| OAG | SBD | NAQ | CAV | 66.6° | 48.5° |
| OAG | SBD | NAQ | H11 | 113.4° | 131.4° |
| SBD | NAQ | CAV | H11 | 180.0° | 180.0° |
| SBD | NAQ | CAV | OAE | 2.0° | 5.1° |
| SBD | NAQ | CAV | CAY | 176.0° | 174.9° |
| NAQ | CAV | OAE | CAY | 177.9° | 180.0° |
| NAQ | CAV | CAY | CAL | 30.5° | 5.8° |
| NAQ | CAV | CAY | N | 157.1° | 174.6° |
| OAE | CAV | CAY | CAL | 147.4° | 174.2° |
| OAE | CAV | CAY | N | 25.0° | 5.4° |
| OAE | CAV | NAQ | H11 | 178.0° | 174.9° |
| CAV | CAY | CAL | N | 173.3° | 179.6° |
| CAV | CAY | CAL | CBA | 175.8° | 180.0° |
| CAV | CAY | N | CA | 1.2° | 0.2° |
| CAV | CAY | N | CBB | 174.4° | 180.0° |
| CAV | CAY | CAL | H10 | 4.2° | 0.2° |
| CAY | CAV | NAQ | H11 | 4.1° | 5.1° |
| CAY | CAL | CBA | H10 | 180.0° | 179.8° |
| CAL | CAY | N | CA | 174.8° | 179.8° |
| CAL | CAY | N | CBB | 0.8° | 0.4° |
| CAY | CAL | CBA | CAK | 179.3° | 179.8° |
| CAY | CAL | CBA | CBB | 3.3° | 0.2° |
| N | CAY | CAL | CBA | 2.5° | 0.4° |
| CAY | N | CA | C | 56.4° | 94.0° |
| CAY | N | CA | CBB | 174.9° | 179.8° |
| CAY | N | CBB | CBA | 1.3° | 0.2° |
| CAY | N | CBB | CAJ | 177.3° | 179.7° |
| CAY | N | CA | H2 | 177.7° | 145.9° |
| CAY | N | CA | H3 | 64.9° | 26.0° |
| N | CAY | CAL | H10 | 177.5° | 179.8° |
| CAL | CBA | CBB | N | 2.9° | 0.0° |
| CAL | CBA | CAK | CBB | 177.3° | 180.0° |
| CAL | CBA | CAK | CAW | 178.5° | 180.0° |
| CAL | CBA | CBB | CAJ | 179.3° | 180.0° |
| CAL | CBA | CAK | H9 | 1.5° | 0.1° |
| OXT | C | O | CA | 177.8° | 180.0° |
| OXT | C | CA | N | 19.9° | 0.0° |
| OXT | C | O | H1 | 0.0° | 0.1° |
| OXT | C | CA | H2 | 101.4° | 120.0° |
| OXT | C | CA | H3 | 141.2° | 120.0° |
| O | C | CA | N | 162.3° | 180.0° |
| O | C | CA | H2 | 76.5° | 60.0° |
| O | C | CA | H3 | 41.0° | 60.0° |
| C | CA | N | H2 | 121.3° | 120.1° |
| C | CA | N | H3 | 121.3° | 120.0° |
| C | CA | N | CBB | 128.7° | 86.2° |
| CA | C | O | H1 | 177.8° | 180.0° |
| C | CA | H2 | H3 | 115.9° | 120.0° |
| CA | N | CBB | CBA | 176.8° | 180.0° |
| CA | N | CBB | CAJ | 7.2° | 0.1° |
| N | CA | H2 | H3 | 115.9° | 119.9° |
| N | CBB | CBA | CAK | 179.3° | 180.0° |
| N | CBB | CBA | CAJ | 176.4° | 179.9° |
| N | CBB | CAJ | CAI | 179.6° | 180.0° |
| CBB | N | CA | H2 | 7.4° | 33.9° |
| CBB | N | CA | H3 | 110.0° | 153.8° |
| N | CBB | CAJ | H4 | 0.4° | 0.1° |
| CBA | CAK | CAW | H9 | 180.0° | 180.0° |
| CAK | CBA | CBB | CAJ | 2.8° | 0.0° |
| CBA | CAK | CAW | OAR | 178.6° | 180.0° |
| CBA | CAK | CAW | CAI | 0.9° | 0.0° |
| CAK | CBA | CAL | H10 | 0.7° | 0.1° |
| CBB | CBA | CAK | CAW | 1.3° | 0.0° |
| CBA | CBB | CAJ | CAI | 4.1° | 0.0° |
| CBA | CBB | CAJ | H4 | 175.9° | 180.0° |
| CBB | CBA | CAK | H9 | 178.7° | 179.9° |
| CBB | CBA | CAL | H10 | 176.7° | 179.9° |
| CAK | CAW | OAR | CAI | 179.5° | 180.0° |
| CAK | CAW | CAI | CAJ | 2.0° | 0.0° |
| CAK | CAW | OAR | CAA | 13.4° | 180.0° |
| CAK | CAW | CAI | H5 | 178.0° | 180.0° |
| CBB | CAJ | CAI | CAW | 3.6° | 0.0° |
| CBB | CAJ | CAI | H4 | 180.0° | 180.0° |
| CBB | CAJ | CAI | H5 | 176.4° | 180.0° |
| OAR | CAW | CAI | CAJ | 177.6° | 180.0° |
| OAR | CAW | CAI | H5 | 2.4° | 0.0° |
| CAW | OAR | CAA | H6 | 180.0° | 60.0° |
| CAW | OAR | CAA | H7 | 60.0° | 180.0° |
| CAW | OAR | CAA | H8 | 60.0° | 60.0° |
| OAR | CAW | CAK | H9 | 1.4° | 0.1° |
| CAW | CAI | CAJ | H5 | 180.0° | 180.0° |
| CAI | CAW | OAR | CAA | 167.1° | 0.0° |
| CAW | CAI | CAJ | H4 | 176.4° | 180.0° |
| CAI | CAW | CAK | H9 | 179.1° | 180.0° |
| OAR | CAA | H6 | H7 | 120.0° | 120.0° |
| OAR | CAA | H6 | H8 | 120.0° | 120.0° |
| OAR | CAA | H7 | H8 | 120.0° | 120.0° |
| H4 | CAJ | CAI | H5 | 3.6° | 0.0° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H13 | CAB | H14 | H15 | 120.0° | 119.9° |
