9YP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAV | doub | 1.22Å | 1.38Å | |
| OAH | PBB | doub | 1.48Å | 1.55Å | |
| NAQ | CAI | doub | 1.30Å | 1.35Å | Aromatic |
| NAQ | CAX | sing | 1.36Å | 1.38Å | Aromatic |
| OAD | PBB | sing | 1.61Å | 1.50Å | |
| CAV | CAX | sing | 1.41Å | 1.43Å | |
| CAV | NAR | sing | 1.35Å | 1.35Å | |
| PBB | CAO | sing | 1.82Å | 1.83Å | |
| PBB | OAG | sing | 1.61Å | 1.55Å | |
| CAI | NAZ | sing | 1.36Å | 1.34Å | Aromatic |
| CAX | CAW | doub | 1.40Å | 1.38Å | Aromatic |
| CAO | OAT | sing | 1.43Å | 1.38Å | |
| NAR | CAU | sing | 1.36Å | 1.35Å | |
| NAZ | CAW | sing | 1.37Å | 1.38Å | Aromatic |
| NAZ | CAP | sing | 1.47Å | 1.43Å | |
| CAW | NAJ | sing | 1.34Å | 1.38Å | |
| CAN | OAT | sing | 1.43Å | 1.38Å | |
| CAN | CAY | sing | 1.53Å | 1.49Å | |
| CAU | NAJ | doub | 1.31Å | 1.34Å | |
| CAU | NAA | sing | 1.37Å | 1.43Å | |
| CAP | CAY | sing | 1.53Å | 1.50Å | |
| CAY | CAM | sing | 1.53Å | 1.49Å | |
| CAM | OAS | sing | 1.43Å | 1.37Å | |
| OAS | CAK | sing | 1.43Å | 1.38Å | |
| CAK | CAL | sing | 1.53Å | 1.49Å | |
| OAF | PBA | doub | 1.48Å | 1.56Å | |
| CAL | PBA | sing | 1.82Å | 1.82Å | |
| OAE | PBA | sing | 1.61Å | 1.56Å | |
| PBA | OAC | sing | 1.61Å | 1.50Å | |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| OAC | H2 | sing | 0.97Å | 0.95Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAY | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| OAG | H14 | sing | 0.97Å | 0.95Å | |
| OAD | H15 | sing | 0.97Å | 0.95Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAP | H17 | sing | 1.09Å | 1.10Å | |
| NAA | H18 | sing | 0.97Å | 1.00Å | |
| NAA | H19 | sing | 0.97Å | 1.00Å | |
| NAR | H20 | sing | 0.97Å | 1.00Å | |
| CAI | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAV | CAX | 121.4° | 120.8° |
| OAB | CAV | NAR | 120.6° | 120.8° |
| OAH | PBB | OAD | 109.2° | 109.5° |
| OAH | PBB | CAO | 108.5° | 109.4° |
| OAH | PBB | OAG | 109.6° | 109.5° |
| CAI | NAQ | CAX | 109.2° | 109.3° |
| NAQ | CAI | NAZ | 108.3° | 109.8° |
| NAQ | CAI | H21 | 125.9° | 125.1° |
| NAQ | CAX | CAV | 134.4° | 134.1° |
| NAQ | CAX | CAW | 106.5° | 107.2° |
| OAD | PBB | CAO | 110.2° | 109.5° |
| OAD | PBB | OAG | 108.6° | 109.5° |
| PBB | OAD | H15 | 109.5° | 114.0° |
| CAX | CAV | NAR | 118.0° | 118.3° |
| CAV | CAX | CAW | 119.1° | 118.6° |
| CAV | NAR | CAU | 122.0° | 120.3° |
| CAV | NAR | H20 | 119.0° | 119.9° |
| CAO | PBB | OAG | 110.7° | 109.4° |
| PBB | CAO | OAT | 120.3° | 109.4° |
| PBB | CAO | H12 | 106.7° | 109.5° |
| PBB | CAO | H13 | 106.7° | 109.5° |
| PBB | OAG | H14 | 109.5° | 114.0° |
| CAI | NAZ | CAW | 109.0° | 107.5° |
| CAI | NAZ | CAP | 125.7° | 126.2° |
| NAZ | CAI | H21 | 125.9° | 125.1° |
| CAX | CAW | NAZ | 107.1° | 106.1° |
| CAX | CAW | NAJ | 119.3° | 119.7° |
| CAO | OAT | CAN | 117.7° | 114.0° |
| OAT | CAO | H12 | 106.7° | 109.5° |
| OAT | CAO | H13 | 106.7° | 109.4° |
| NAR | CAU | NAJ | 120.9° | 121.9° |
| NAR | CAU | NAA | 119.6° | 119.0° |
| CAU | NAR | H20 | 119.0° | 119.9° |
| CAW | NAZ | CAP | 125.4° | 126.3° |
| NAZ | CAW | NAJ | 133.6° | 134.2° |
| NAZ | CAP | CAY | 115.4° | 109.5° |
| NAZ | CAP | H16 | 108.0° | 109.5° |
| NAZ | CAP | H17 | 108.0° | 109.4° |
| CAW | NAJ | CAU | 120.7° | 121.1° |
| OAT | CAN | CAY | 119.1° | 109.4° |
| OAT | CAN | H10 | 107.0° | 109.4° |
| OAT | CAN | H11 | 107.0° | 109.5° |
| CAN | CAY | CAP | 110.0° | 109.5° |
| CAN | CAY | CAM | 109.6° | 109.5° |
| CAN | CAY | H9 | 108.4° | 109.5° |
| CAY | CAN | H10 | 107.0° | 109.5° |
| CAY | CAN | H11 | 107.0° | 109.4° |
| NAJ | CAU | NAA | 119.6° | 119.1° |
| CAU | NAA | H18 | 120.0° | 120.0° |
| CAU | NAA | H19 | 120.0° | 120.0° |
| CAP | CAY | CAM | 111.8° | 109.5° |
| CAP | CAY | H9 | 108.4° | 109.4° |
| CAY | CAP | H16 | 108.0° | 109.5° |
| CAY | CAP | H17 | 108.0° | 109.5° |
| CAY | CAM | OAS | 117.6° | 109.5° |
| CAY | CAM | H7 | 107.4° | 109.5° |
| CAY | CAM | H8 | 107.4° | 109.5° |
| CAM | CAY | H9 | 108.5° | 109.5° |
| CAM | OAS | CAK | 118.7° | 114.0° |
| OAS | CAM | H7 | 107.4° | 109.4° |
| OAS | CAM | H8 | 107.4° | 109.5° |
| OAS | CAK | CAL | 116.3° | 109.5° |
| OAS | CAK | H5 | 107.8° | 109.5° |
| OAS | CAK | H6 | 107.8° | 109.4° |
| CAK | CAL | PBA | 117.3° | 109.5° |
| CAK | CAL | H3 | 107.5° | 109.5° |
| CAK | CAL | H4 | 107.5° | 109.5° |
| CAL | CAK | H5 | 107.7° | 109.5° |
| CAL | CAK | H6 | 107.7° | 109.5° |
| OAF | PBA | CAL | 109.9° | 109.4° |
| OAF | PBA | OAE | 109.6° | 109.5° |
| OAF | PBA | OAC | 109.5° | 109.4° |
| CAL | PBA | OAE | 109.6° | 109.5° |
| CAL | PBA | OAC | 108.7° | 109.5° |
| PBA | CAL | H3 | 107.5° | 109.5° |
| PBA | CAL | H4 | 107.5° | 109.4° |
| OAE | PBA | OAC | 109.6° | 109.5° |
| PBA | OAE | H1 | 109.5° | 114.0° |
| PBA | OAC | H2 | 109.5° | 113.9° |
| H3 | CAL | H4 | 109.5° | 109.4° |
| H5 | CAK | H6 | 109.5° | 109.4° |
| H7 | CAM | H8 | 109.5° | 109.5° |
| H10 | CAN | H11 | 109.5° | 109.5° |
| H12 | CAO | H13 | 109.5° | 109.5° |
| H16 | CAP | H17 | 109.5° | 109.5° |
| H18 | NAA | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAV | CAX | NAQ | 0.1° | 0.0° |
| OAB | CAV | CAX | NAR | 180.0° | 180.0° |
| OAB | CAV | CAX | CAW | 179.9° | 180.0° |
| OAB | CAV | NAR | CAU | 180.0° | 180.0° |
| OAB | CAV | NAR | H20 | 0.0° | 0.0° |
| OAH | PBB | OAD | CAO | 119.0° | 120.0° |
| OAH | PBB | OAD | OAG | 119.5° | 120.1° |
| OAH | PBB | CAO | OAG | 120.3° | 120.0° |
| OAH | PBB | CAO | OAT | 174.2° | 60.0° |
| OAH | PBB | CAO | H12 | 64.3° | 180.0° |
| OAH | PBB | CAO | H13 | 52.6° | 60.0° |
| OAH | PBB | OAG | H14 | 0.0° | 60.0° |
| OAH | PBB | OAD | H15 | 0.0° | 180.0° |
| CAI | NAQ | CAX | CAV | 180.0° | 179.6° |
| NAQ | CAI | NAZ | H21 | 180.0° | 179.4° |
| CAI | NAQ | CAX | CAW | 0.0° | 0.4° |
| NAQ | CAI | NAZ | CAW | 0.5° | 0.5° |
| NAQ | CAI | NAZ | CAP | 179.3° | 179.8° |
| NAQ | CAX | CAV | CAW | 180.0° | 180.0° |
| NAQ | CAX | CAV | NAR | 179.9° | 180.0° |
| CAX | NAQ | CAI | NAZ | 0.3° | 0.5° |
| NAQ | CAX | CAW | NAZ | 0.3° | 0.0° |
| NAQ | CAX | CAW | NAJ | 180.0° | 180.0° |
| CAX | NAQ | CAI | H21 | 179.6° | 180.0° |
| OAD | PBB | CAO | OAG | 120.2° | 120.0° |
| OAD | PBB | CAO | OAT | 66.4° | 60.0° |
| OAD | PBB | CAO | H12 | 55.1° | 60.0° |
| OAD | PBB | CAO | H13 | 172.1° | 180.0° |
| OAD | PBB | OAG | H14 | 119.2° | 60.0° |
| CAX | CAV | NAR | CAU | 0.0° | 0.0° |
| CAV | CAX | CAW | NAZ | 179.7° | 179.9° |
| CAV | CAX | CAW | NAJ | 0.0° | 0.0° |
| CAX | CAV | NAR | H20 | 180.0° | 180.0° |
| NAR | CAV | CAX | CAW | 0.1° | 0.0° |
| CAV | NAR | CAU | H20 | 180.0° | 180.0° |
| CAV | NAR | CAU | NAJ | 0.1° | 0.1° |
| CAV | NAR | CAU | NAA | 180.0° | 180.0° |
| PBB | CAO | OAT | H12 | 121.5° | 120.0° |
| PBB | CAO | OAT | H13 | 121.5° | 120.0° |
| PBB | CAO | OAT | CAN | 146.8° | 75.0° |
| PBB | CAO | H12 | H13 | 115.1° | 120.0° |
| CAO | PBB | OAG | H14 | 119.6° | 180.0° |
| CAO | PBB | OAD | H15 | 119.0° | 60.0° |
| OAG | PBB | CAO | OAT | 53.9° | 180.0° |
| OAG | PBB | CAO | H12 | 175.4° | 60.0° |
| OAG | PBB | CAO | H13 | 67.7° | 60.0° |
| OAG | PBB | OAD | H15 | 119.5° | 60.0° |
| CAI | NAZ | CAW | CAX | 0.5° | 0.3° |
| CAI | NAZ | CAW | CAP | 178.8° | 179.7° |
| CAI | NAZ | CAW | NAJ | 179.9° | 179.7° |
| CAI | NAZ | CAP | CAY | 95.4° | 95.3° |
| CAI | NAZ | CAP | H16 | 25.5° | 144.7° |
| CAI | NAZ | CAP | H17 | 143.8° | 24.7° |
| CAX | CAW | NAZ | NAJ | 179.7° | 179.9° |
| CAX | CAW | NAZ | CAP | 179.3° | 180.0° |
| CAX | CAW | NAJ | CAU | 0.2° | 0.0° |
| CAO | OAT | CAN | CAY | 177.8° | 180.0° |
| CAO | OAT | CAN | H10 | 60.9° | 60.0° |
| CAO | OAT | CAN | H11 | 56.4° | 60.0° |
| OAT | CAO | H12 | H13 | 115.2° | 120.0° |
| NAR | CAU | NAJ | CAW | 0.2° | 0.1° |
| NAR | CAU | NAJ | NAA | 179.8° | 179.9° |
| NAR | CAU | NAA | H18 | 179.8° | 179.9° |
| NAR | CAU | NAA | H19 | 0.2° | 0.0° |
| NAZ | CAW | NAJ | CAU | 179.5° | 180.0° |
| CAW | NAZ | CAP | CAY | 83.2° | 85.0° |
| CAW | NAZ | CAP | H16 | 155.9° | 35.0° |
| CAW | NAZ | CAP | H17 | 37.6° | 155.0° |
| CAW | NAZ | CAI | H21 | 179.5° | 179.9° |
| CAP | NAZ | CAW | NAJ | 1.1° | 0.1° |
| NAZ | CAP | CAY | CAN | 62.5° | 65.0° |
| NAZ | CAP | CAY | H16 | 120.9° | 120.0° |
| NAZ | CAP | CAY | H17 | 120.8° | 120.0° |
| NAZ | CAP | CAY | CAM | 175.5° | 175.0° |
| NAZ | CAP | CAY | H9 | 56.0° | 55.0° |
| NAZ | CAP | H16 | H17 | 117.3° | 119.9° |
| CAP | NAZ | CAI | H21 | 0.7° | 0.3° |
| CAW | NAJ | CAU | NAA | 180.0° | 180.0° |
| OAT | CAN | CAY | H10 | 121.4° | 119.9° |
| OAT | CAN | CAY | H11 | 121.4° | 120.0° |
| OAT | CAN | CAY | CAP | 98.5° | 175.0° |
| OAT | CAN | CAY | CAM | 24.8° | 65.0° |
| OAT | CAN | CAY | H9 | 143.1° | 55.0° |
| OAT | CAN | H10 | H11 | 115.6° | 120.0° |
| CAN | OAT | CAO | H12 | 25.3° | 165.0° |
| CAN | OAT | CAO | H13 | 91.7° | 45.0° |
| CAN | CAY | CAP | CAM | 122.1° | 120.0° |
| CAN | CAY | CAP | H9 | 118.4° | 120.0° |
| CAN | CAY | CAM | H9 | 118.2° | 120.0° |
| CAN | CAY | CAM | OAS | 132.3° | 65.0° |
| CAN | CAY | CAM | H7 | 106.6° | 175.0° |
| CAN | CAY | CAM | H8 | 11.1° | 55.0° |
| CAY | CAN | H10 | H11 | 115.6° | 120.0° |
| CAN | CAY | CAP | H16 | 58.4° | 175.0° |
| CAN | CAY | CAP | H17 | 176.7° | 55.0° |
| NAJ | CAU | NAA | H18 | 0.0° | 0.0° |
| NAJ | CAU | NAA | H19 | 180.0° | 180.0° |
| NAJ | CAU | NAR | H20 | 179.8° | 180.0° |
| CAU | NAA | H18 | H19 | 179.9° | 180.0° |
| NAA | CAU | NAR | H20 | 0.0° | 0.0° |
| CAP | CAY | CAM | H9 | 119.5° | 120.0° |
| CAP | CAY | CAM | OAS | 10.0° | 175.0° |
| CAP | CAY | CAM | H7 | 131.1° | 55.0° |
| CAP | CAY | CAM | H8 | 111.2° | 65.0° |
| CAP | CAY | CAN | H10 | 22.9° | 55.0° |
| CAP | CAY | CAN | H11 | 140.1° | 65.0° |
| CAY | CAP | H16 | H17 | 117.3° | 120.0° |
| CAY | CAM | OAS | H7 | 121.2° | 120.0° |
| CAY | CAM | OAS | H8 | 121.2° | 120.0° |
| CAY | CAM | OAS | CAK | 167.7° | 180.0° |
| CAY | CAM | H7 | H8 | 116.3° | 120.0° |
| CAM | CAY | CAN | H10 | 146.2° | 175.0° |
| CAM | CAY | CAN | H11 | 96.6° | 55.0° |
| CAM | CAY | CAP | H16 | 63.7° | 55.0° |
| CAM | CAY | CAP | H17 | 54.6° | 65.0° |
| CAM | OAS | CAK | CAL | 104.1° | 180.0° |
| CAM | OAS | CAK | H5 | 16.9° | 60.0° |
| CAM | OAS | CAK | H6 | 134.9° | 60.0° |
| OAS | CAM | H7 | H8 | 116.3° | 120.0° |
| OAS | CAM | CAY | H9 | 109.5° | 55.0° |
| OAS | CAK | CAL | H5 | 121.0° | 120.1° |
| OAS | CAK | CAL | H6 | 121.0° | 120.0° |
| OAS | CAK | CAL | PBA | 91.5° | 180.0° |
| OAS | CAK | CAL | H3 | 147.3° | 59.9° |
| OAS | CAK | CAL | H4 | 29.6° | 60.0° |
| OAS | CAK | H5 | H6 | 116.9° | 119.9° |
| CAK | OAS | CAM | H7 | 46.6° | 60.0° |
| CAK | OAS | CAM | H8 | 71.1° | 60.0° |
| CAK | CAL | PBA | OAF | 7.1° | 55.0° |
| CAK | CAL | PBA | H3 | 121.1° | 120.1° |
| CAK | CAL | PBA | H4 | 121.1° | 120.0° |
| CAK | CAL | PBA | OAE | 113.4° | 175.0° |
| CAK | CAL | PBA | OAC | 126.8° | 65.0° |
| CAK | CAL | H3 | H4 | 116.5° | 120.0° |
| CAL | CAK | H5 | H6 | 116.9° | 120.0° |
| OAF | PBA | CAL | OAE | 120.4° | 120.0° |
| OAF | PBA | CAL | OAC | 119.8° | 119.9° |
| OAF | PBA | OAE | OAC | 120.1° | 120.0° |
| OAF | PBA | OAE | H1 | 0.0° | 60.0° |
| OAF | PBA | OAC | H2 | 0.0° | 180.0° |
| OAF | PBA | CAL | H3 | 114.1° | 175.0° |
| OAF | PBA | CAL | H4 | 128.2° | 65.0° |
| CAL | PBA | OAE | OAC | 119.2° | 120.0° |
| CAL | PBA | OAE | H1 | 120.6° | 180.0° |
| CAL | PBA | OAC | H2 | 120.0° | 60.0° |
| PBA | CAL | H3 | H4 | 116.4° | 119.9° |
| PBA | CAL | CAK | H5 | 29.5° | 60.0° |
| PBA | CAL | CAK | H6 | 147.5° | 60.0° |
| OAE | PBA | OAC | H2 | 120.2° | 60.0° |
| OAE | PBA | CAL | H3 | 125.5° | 65.0° |
| OAE | PBA | CAL | H4 | 7.8° | 55.0° |
| OAC | PBA | OAE | H1 | 120.2° | 60.0° |
| OAC | PBA | CAL | H3 | 5.7° | 55.1° |
| OAC | PBA | CAL | H4 | 112.0° | 175.0° |
| H3 | CAL | CAK | H5 | 91.7° | 180.0° |
| H3 | CAL | CAK | H6 | 26.3° | 60.0° |
| H4 | CAL | CAK | H5 | 150.6° | 60.0° |
| H4 | CAL | CAK | H6 | 91.4° | NaN° |
| H7 | CAM | CAY | H9 | 11.7° | 65.0° |
| H8 | CAM | CAY | H9 | 129.4° | 175.0° |
| H9 | CAY | CAN | H10 | 95.5° | 64.9° |
| H9 | CAY | CAN | H11 | 21.7° | 175.0° |
| H9 | CAY | CAP | H16 | 176.8° | 65.0° |
| H9 | CAY | CAP | H17 | 64.9° | 174.9° |
