2QP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAY | doub | 1.21Å | 1.26Å | |
| CAI | OAW | sing | 1.34Å | 1.42Å | Aromatic |
| CAI | CAH | doub | 1.35Å | 1.32Å | Aromatic |
| OAW | CBD | sing | 1.34Å | 1.38Å | Aromatic |
| CAY | OAB | sing | 1.34Å | 1.27Å | |
| CAY | CBF | sing | 1.51Å | 1.59Å | |
| CAH | CAJ | sing | 1.41Å | 1.34Å | Aromatic |
| CBD | CAJ | doub | 1.35Å | 1.31Å | Aromatic |
| CBD | CAS | sing | 1.51Å | 1.54Å | |
| CAS | CBF | sing | 1.53Å | 1.53Å | |
| CBF | NAV | sing | 1.46Å | 1.47Å | |
| OAC | CAZ | doub | 1.22Å | 1.22Å | |
| NAV | CAZ | sing | 1.35Å | 1.34Å | |
| CAO | CAP | sing | 1.53Å | 1.56Å | |
| CAO | CAQ | sing | 1.53Å | 1.56Å | |
| CAZ | N | sing | 1.35Å | 1.32Å | |
| CB | CAP | sing | 1.53Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CAQ | NAT | sing | 1.47Å | 1.43Å | |
| NAT | CBA | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| OAD | CBA | doub | 1.22Å | 1.23Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CBA | CBC | sing | 1.48Å | 1.59Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| CBC | CAN | doub | 1.40Å | 1.42Å | Aromatic |
| CBC | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAN | CAL | sing | 1.38Å | 1.43Å | Aromatic |
| CAM | CAK | doub | 1.38Å | 1.44Å | Aromatic |
| CAL | CBB | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CBB | sing | 1.38Å | 1.42Å | Aromatic |
| CBB | IAG | sing | 2.10Å | 2.26Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| NAT | H5 | sing | 0.97Å | 1.00Å | |
| CAQ | H6 | sing | 1.09Å | 1.10Å | |
| CAQ | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| OXT | H15 | sing | 0.97Å | 0.95Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| NAV | H17 | sing | 0.97Å | 1.00Å | |
| CBF | H18 | sing | 1.09Å | 1.10Å | |
| OAB | H19 | sing | 0.97Å | 0.95Å | |
| CAS | H20 | sing | 1.09Å | 1.10Å | |
| CAS | H21 | sing | 1.09Å | 1.10Å | |
| CAJ | H22 | sing | 1.08Å | 1.08Å | |
| CAH | H23 | sing | 1.08Å | 1.08Å | |
| CAI | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAY | OAB | 123.8° | 120.0° |
| OAF | CAY | CBF | 116.7° | 120.0° |
| OAW | CAI | CAH | 105.7° | 108.4° |
| CAI | OAW | CBD | 106.9° | 109.5° |
| OAW | CAI | H24 | 127.1° | 125.8° |
| CAI | CAH | CAJ | 109.9° | 106.9° |
| CAI | CAH | H23 | 125.0° | 126.6° |
| CAH | CAI | H24 | 127.1° | 125.8° |
| OAW | CBD | CAJ | 106.7° | 108.4° |
| OAW | CBD | CAS | 125.4° | 125.8° |
| OAB | CAY | CBF | 119.3° | 120.0° |
| CAY | OAB | H19 | 109.5° | 117.0° |
| CAY | CBF | CAS | 112.2° | 109.5° |
| CAY | CBF | NAV | 106.8° | 109.5° |
| CAY | CBF | H18 | 107.2° | 109.4° |
| CAH | CAJ | CBD | 110.7° | 106.9° |
| CAH | CAJ | H22 | 124.7° | 126.6° |
| CAJ | CAH | H23 | 125.0° | 126.6° |
| CAJ | CBD | CAS | 127.9° | 125.8° |
| CBD | CAJ | H22 | 124.6° | 126.5° |
| CBD | CAS | CBF | 117.1° | 109.4° |
| CBD | CAS | H20 | 107.5° | 109.5° |
| CBD | CAS | H21 | 107.5° | 109.5° |
| CAS | CBF | NAV | 113.7° | 109.5° |
| CAS | CBF | H18 | 108.0° | 109.5° |
| CBF | CAS | H20 | 107.5° | 109.4° |
| CBF | CAS | H21 | 107.5° | 109.5° |
| CBF | NAV | CAZ | 118.6° | 120.0° |
| CBF | NAV | H17 | 120.7° | 120.0° |
| NAV | CBF | H18 | 108.7° | 109.5° |
| OAC | CAZ | NAV | 118.7° | 120.0° |
| OAC | CAZ | N | 121.5° | 120.0° |
| NAV | CAZ | N | 119.8° | 120.0° |
| CAZ | NAV | H17 | 120.7° | 120.0° |
| CAP | CAO | CAQ | 108.2° | 109.5° |
| CAO | CAP | CB | 110.2° | 109.5° |
| CAP | CAO | H8 | 109.8° | 109.4° |
| CAP | CAO | H9 | 109.8° | 109.5° |
| CAO | CAP | H10 | 109.3° | 109.4° |
| CAO | CAP | H11 | 109.3° | 109.5° |
| CAO | CAQ | NAT | 103.9° | 109.5° |
| CAO | CAQ | H6 | 110.8° | 109.5° |
| CAO | CAQ | H7 | 110.9° | 109.5° |
| CAQ | CAO | H8 | 109.8° | 109.5° |
| CAQ | CAO | H9 | 109.8° | 109.5° |
| CAZ | N | CA | 124.8° | 120.0° |
| CAZ | N | H16 | 117.6° | 120.0° |
| CAP | CB | CA | 113.4° | 109.5° |
| CB | CAP | H10 | 109.3° | 109.5° |
| CB | CAP | H11 | 109.3° | 109.5° |
| CAP | CB | H12 | 108.5° | 109.5° |
| CAP | CB | H13 | 108.5° | 109.5° |
| CB | CA | N | 104.2° | 109.5° |
| CB | CA | C | 107.6° | 109.5° |
| CA | CB | H12 | 108.5° | 109.4° |
| CA | CB | H13 | 108.5° | 109.5° |
| CB | CA | H14 | 112.2° | 109.5° |
| CAQ | NAT | CBA | 137.3° | 120.0° |
| CAQ | NAT | H5 | 111.3° | 120.0° |
| NAT | CAQ | H6 | 110.8° | 109.5° |
| NAT | CAQ | H7 | 110.9° | 109.5° |
| NAT | CBA | OAD | 110.2° | 120.0° |
| NAT | CBA | CBC | 131.4° | 120.0° |
| CBA | NAT | H5 | 111.3° | 120.1° |
| N | CA | C | 106.9° | 109.4° |
| N | CA | H14 | 113.2° | 109.5° |
| CA | N | H16 | 117.6° | 120.0° |
| OAD | CBA | CBC | 115.3° | 120.0° |
| CA | C | O | 117.1° | 120.0° |
| CA | C | OXT | 116.1° | 120.0° |
| C | CA | H14 | 112.3° | 109.5° |
| CBA | CBC | CAN | 117.3° | 120.2° |
| CBA | CBC | CAM | 129.3° | 120.1° |
| O | C | OXT | 126.8° | 120.0° |
| C | OXT | H15 | 109.5° | 117.0° |
| CAN | CBC | CAM | 113.0° | 119.7° |
| CBC | CAN | CAL | 123.7° | 119.9° |
| CBC | CAN | H4 | 118.2° | 120.0° |
| CBC | CAM | CAK | 121.9° | 119.8° |
| CBC | CAM | H1 | 119.0° | 120.1° |
| CAN | CAL | CBB | 124.9° | 120.1° |
| CAN | CAL | H3 | 117.5° | 119.9° |
| CAL | CAN | H4 | 118.2° | 120.0° |
| CAM | CAK | CBB | 126.5° | 120.2° |
| CAK | CAM | H1 | 119.0° | 120.1° |
| CAM | CAK | H2 | 116.7° | 119.9° |
| CAL | CBB | CAK | 109.9° | 120.3° |
| CAL | CBB | IAG | 125.6° | 119.8° |
| CBB | CAL | H3 | 117.6° | 119.9° |
| CAK | CBB | IAG | 124.4° | 119.9° |
| CBB | CAK | H2 | 116.8° | 119.9° |
| H6 | CAQ | H7 | 109.5° | 109.4° |
| H8 | CAO | H9 | 109.5° | 109.5° |
| H10 | CAP | H11 | 109.5° | 109.5° |
| H12 | CB | H13 | 109.5° | 109.5° |
| H20 | CAS | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAY | OAB | CBF | 176.0° | 180.0° |
| OAF | CAY | CBF | CAS | 74.1° | 120.0° |
| OAF | CAY | CBF | NAV | 160.7° | 0.0° |
| OAF | CAY | CBF | H18 | 44.3° | 120.0° |
| OAF | CAY | OAB | H19 | 0.0° | 0.0° |
| OAW | CAI | CAH | H24 | 180.0° | 179.5° |
| OAW | CAI | CAH | CAJ | 2.4° | 0.3° |
| CAI | OAW | CBD | CAJ | 0.6° | 0.5° |
| CAI | OAW | CBD | CAS | 177.6° | 179.8° |
| OAW | CAI | CAH | H23 | 177.6° | 179.7° |
| CAH | CAI | OAW | CBD | 1.1° | 0.5° |
| CAI | CAH | CAJ | H23 | 180.0° | 180.0° |
| CAI | CAH | CAJ | CBD | 3.0° | 0.0° |
| CAI | CAH | CAJ | H22 | 177.0° | 179.9° |
| OAW | CBD | CAJ | CAH | 2.1° | 0.3° |
| OAW | CBD | CAJ | CAS | 176.9° | 179.7° |
| OAW | CBD | CAS | CBF | 21.7° | 90.3° |
| OAW | CBD | CAS | H20 | 142.8° | 149.7° |
| OAW | CBD | CAS | H21 | 99.4° | 29.7° |
| OAW | CBD | CAJ | H22 | 177.9° | 179.8° |
| CBD | OAW | CAI | H24 | 178.9° | 180.0° |
| OAB | CAY | CBF | CAS | 109.7° | 60.0° |
| OAB | CAY | CBF | NAV | 15.6° | 180.0° |
| OAB | CAY | CBF | H18 | 132.0° | 60.0° |
| CAY | CBF | CAS | CBD | 56.9° | 175.0° |
| CAY | CBF | CAS | NAV | 121.3° | 120.0° |
| CAY | CBF | CAS | H18 | 117.9° | 119.9° |
| CAY | CBF | NAV | H18 | 115.4° | 120.0° |
| CAY | CBF | NAV | CAZ | 56.9° | 85.0° |
| CAY | CBF | NAV | H17 | 123.1° | 95.0° |
| CBF | CAY | OAB | H19 | 175.9° | 180.0° |
| CAY | CBF | CAS | H20 | 178.0° | 65.0° |
| CAY | CBF | CAS | H21 | 64.2° | 55.0° |
| CAH | CAJ | CBD | H22 | 180.0° | 179.9° |
| CAH | CAJ | CBD | CAS | 179.0° | 180.0° |
| CAJ | CAH | CAI | H24 | 177.6° | 179.8° |
| CAJ | CBD | CAS | CBF | 162.0° | 90.0° |
| CAJ | CBD | CAS | H20 | 40.9° | 29.9° |
| CAJ | CBD | CAS | H21 | 76.9° | 150.0° |
| CBD | CAJ | CAH | H23 | 177.0° | 180.0° |
| CBD | CAS | CBF | H20 | 121.1° | 120.0° |
| CBD | CAS | CBF | H21 | 121.1° | 120.0° |
| CBD | CAS | CBF | NAV | 64.4° | 65.0° |
| CBD | CAS | CBF | H18 | 174.9° | 55.1° |
| CBD | CAS | H20 | H21 | 116.5° | 120.0° |
| CAS | CBD | CAJ | H22 | 1.0° | 0.0° |
| CAS | CBF | NAV | H18 | 120.3° | 120.0° |
| CAS | CBF | NAV | CAZ | 178.8° | 155.0° |
| CAS | CBF | NAV | H17 | 1.2° | 25.0° |
| CBF | CAS | H20 | H21 | 116.5° | 120.0° |
| CBF | NAV | CAZ | OAC | 12.1° | 0.0° |
| CBF | NAV | CAZ | H17 | 180.0° | 180.0° |
| CBF | NAV | CAZ | N | 171.3° | 180.0° |
| NAV | CBF | CAS | H20 | 56.7° | 55.0° |
| NAV | CBF | CAS | H21 | 174.5° | 175.0° |
| OAC | CAZ | NAV | N | 176.7° | 180.0° |
| OAC | CAZ | N | CA | 0.1° | 0.0° |
| OAC | CAZ | N | H16 | 179.9° | 180.0° |
| OAC | CAZ | NAV | H17 | 167.9° | 180.0° |
| NAV | CAZ | N | CA | 176.7° | 180.0° |
| NAV | CAZ | N | H16 | 3.3° | 0.0° |
| CAZ | NAV | CBF | H18 | 58.5° | 35.0° |
| CAP | CAO | CAQ | H8 | 119.8° | 120.0° |
| CAP | CAO | CAQ | H9 | 119.8° | 120.0° |
| CAO | CAP | CB | H10 | 120.1° | 120.0° |
| CAO | CAP | CB | H11 | 120.1° | 120.0° |
| CAO | CAP | CB | CA | 175.9° | 180.0° |
| CAP | CAO | CAQ | NAT | 89.8° | 180.0° |
| CAP | CAO | CAQ | H6 | 29.3° | 60.0° |
| CAP | CAO | CAQ | H7 | 151.2° | 60.0° |
| CAP | CAO | H8 | H9 | 120.6° | 120.0° |
| CAO | CAP | H10 | H11 | 119.7° | 120.0° |
| CAO | CAP | CB | H12 | 55.3° | 60.0° |
| CAO | CAP | CB | H13 | 63.5° | 60.0° |
| CAQ | CAO | CAP | CB | 103.2° | 180.0° |
| CAO | CAQ | NAT | H6 | 119.1° | 120.0° |
| CAO | CAQ | NAT | H7 | 119.1° | 120.0° |
| CAO | CAQ | NAT | CBA | 152.6° | 180.0° |
| CAO | CAQ | NAT | H5 | 27.4° | 0.0° |
| CAO | CAQ | H6 | H7 | 122.6° | 120.0° |
| CAQ | CAO | H8 | H9 | 120.6° | 120.0° |
| CAQ | CAO | CAP | H10 | 136.7° | 60.0° |
| CAQ | CAO | CAP | H11 | 16.9° | 60.0° |
| CAZ | N | CA | CB | 94.4° | 155.0° |
| CAZ | N | CA | H16 | 180.0° | 180.0° |
| CAZ | N | CA | C | 151.8° | 85.0° |
| CAZ | N | CA | H14 | 27.7° | 35.0° |
| N | CAZ | NAV | H17 | 8.7° | 0.0° |
| CAP | CB | CA | H12 | 120.6° | 120.0° |
| CAP | CB | CA | H13 | 120.6° | 120.0° |
| CAP | CB | CA | N | 167.1° | 65.0° |
| CAP | CB | CA | C | 79.8° | 175.0° |
| CB | CAP | CAO | H8 | 137.0° | 60.0° |
| CB | CAP | CAO | H9 | 16.6° | 60.0° |
| CB | CAP | H10 | H11 | 119.7° | 120.0° |
| CAP | CB | H12 | H13 | 118.2° | 120.0° |
| CAP | CB | CA | H14 | 44.2° | 55.0° |
| CB | CA | N | C | 113.7° | 120.0° |
| CB | CA | N | H14 | 122.1° | 120.0° |
| CB | CA | C | H14 | 123.9° | 120.0° |
| CB | CA | C | O | 76.5° | 120.0° |
| CB | CA | C | OXT | 105.7° | 60.0° |
| CA | CB | CAP | H10 | 64.0° | 60.0° |
| CA | CB | CAP | H11 | 55.8° | 60.0° |
| CA | CB | H12 | H13 | 118.2° | 120.0° |
| CB | CA | N | H16 | 85.6° | 25.0° |
| CAQ | NAT | CBA | H5 | 180.0° | 180.0° |
| CAQ | NAT | CBA | OAD | 178.9° | 0.0° |
| CAQ | NAT | CBA | CBC | 20.5° | 180.0° |
| NAT | CAQ | H6 | H7 | 122.6° | 120.0° |
| NAT | CAQ | CAO | H8 | 150.5° | 60.0° |
| NAT | CAQ | CAO | H9 | 30.1° | 60.0° |
| NAT | CBA | OAD | CBC | 162.3° | 179.9° |
| NAT | CBA | CBC | CAN | 169.5° | 180.0° |
| NAT | CBA | CBC | CAM | 18.5° | 0.5° |
| CBA | NAT | CAQ | H6 | 33.5° | 60.0° |
| CBA | NAT | CAQ | H7 | 88.3° | 59.9° |
| N | CA | C | H14 | 124.7° | 120.0° |
| N | CA | C | O | 34.8° | 0.0° |
| N | CA | C | OXT | 142.9° | 180.0° |
| N | CA | CB | H12 | 72.4° | 175.0° |
| N | CA | CB | H13 | 46.5° | 55.0° |
| OAD | CBA | CBC | CAN | 32.9° | 0.0° |
| OAD | CBA | CBC | CAM | 139.0° | 179.4° |
| OAD | CBA | NAT | H5 | 1.1° | 180.0° |
| CA | C | O | OXT | 177.5° | 179.9° |
| C | CA | CB | H12 | 40.8° | 55.0° |
| C | CA | CB | H13 | 159.7° | 65.0° |
| CA | C | OXT | H15 | 177.6° | 179.9° |
| C | CA | N | H16 | 28.2° | 95.0° |
| CBA | CBC | CAN | CAM | 173.3° | 179.5° |
| CBA | CBC | CAN | CAL | 176.2° | 179.9° |
| CBA | CBC | CAM | CAK | 174.5° | 180.0° |
| CBA | CBC | CAM | H1 | 5.5° | 0.3° |
| CBA | CBC | CAN | H4 | 3.8° | 0.3° |
| CBC | CBA | NAT | H5 | 159.5° | 0.1° |
| O | C | CA | H14 | 159.5° | 120.0° |
| O | C | OXT | H15 | 0.0° | 0.0° |
| OXT | C | CA | H14 | 18.2° | 60.0° |
| CBC | CAN | CAL | H4 | 180.0° | 179.7° |
| CAN | CBC | CAM | CAK | 2.2° | 0.5° |
| CBC | CAN | CAL | CBB | 2.7° | 0.4° |
| CAN | CBC | CAM | H1 | 177.8° | 179.7° |
| CBC | CAN | CAL | H3 | 177.3° | 179.7° |
| CAM | CBC | CAN | CAL | 3.0° | 0.6° |
| CBC | CAM | CAK | H1 | 180.0° | 179.8° |
| CBC | CAM | CAK | CBB | 1.2° | 0.2° |
| CBC | CAM | CAK | H2 | 178.8° | 179.7° |
| CAM | CBC | CAN | H4 | 177.1° | 179.7° |
| CAN | CAL | CBB | H3 | 180.0° | 179.9° |
| CAN | CAL | CBB | CAK | 1.3° | 0.1° |
| CAN | CAL | CBB | IAG | 178.6° | 179.9° |
| CAM | CAK | CBB | CAL | 0.6° | 0.0° |
| CAM | CAK | CBB | H2 | 180.0° | 179.9° |
| CAM | CAK | CBB | IAG | 179.3° | 180.0° |
| CAL | CBB | CAK | IAG | 179.9° | 180.0° |
| CAL | CBB | CAK | H2 | 179.4° | 179.9° |
| CBB | CAL | CAN | H4 | 177.3° | 180.0° |
| CBB | CAK | CAM | H1 | 178.8° | 180.0° |
| CAK | CBB | CAL | H3 | 178.7° | 180.0° |
| IAG | CBB | CAK | H2 | 0.7° | 0.0° |
| IAG | CBB | CAL | H3 | 1.4° | 0.0° |
| H1 | CAM | CAK | H2 | 1.3° | 0.0° |
| H3 | CAL | CAN | H4 | 2.7° | 0.0° |
| H5 | NAT | CAQ | H6 | 146.5° | 120.1° |
| H5 | NAT | CAQ | H7 | 91.7° | 120.0° |
| H6 | CAQ | CAO | H8 | 90.5° | 180.0° |
| H6 | CAQ | CAO | H9 | 149.1° | 60.0° |
| H7 | CAQ | CAO | H8 | 31.4° | 60.0° |
| H7 | CAQ | CAO | H9 | 89.0° | 180.0° |
| H8 | CAO | CAP | H10 | 16.9° | 180.0° |
| H8 | CAO | CAP | H11 | 102.9° | 60.0° |
| H9 | CAO | CAP | H10 | 103.5° | 60.0° |
| H9 | CAO | CAP | H11 | 136.7° | 179.9° |
| H10 | CAP | CB | H12 | 175.4° | 180.0° |
| H10 | CAP | CB | H13 | 56.6° | 60.0° |
| H11 | CAP | CB | H12 | 64.8° | 60.0° |
| H11 | CAP | CB | H13 | 176.4° | 180.0° |
| H12 | CB | CA | H14 | 164.8° | 65.0° |
| H13 | CB | CA | H14 | 76.3° | 175.0° |
| H14 | CA | N | H16 | 152.3° | 145.0° |
| H17 | NAV | CBF | H18 | 121.5° | 145.0° |
| H18 | CBF | CAS | H20 | 64.1° | 175.0° |
| H18 | CBF | CAS | H21 | 53.7° | 64.9° |
| H22 | CAJ | CAH | H23 | 3.0° | 0.1° |
| H23 | CAH | CAI | H24 | 2.4° | 0.2° |
