29W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAR | CAA | sing | 1.43Å | 1.42Å | |
| OAR | CAV | sing | 1.36Å | 1.39Å | |
| CAL | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAN | sing | 1.38Å | 1.43Å | Aromatic |
| CAM | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAY | doub | 1.40Å | 1.38Å | Aromatic |
| CAZ | CAY | sing | 1.41Å | 1.37Å | Aromatic |
| CAZ | N | sing | 1.38Å | 1.36Å | Aromatic |
| CAY | CAO | sing | 1.42Å | 1.38Å | Aromatic |
| CA | N | sing | 1.46Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.46Å | |
| N | CAX | sing | 1.38Å | 1.34Å | Aromatic |
| C | OXT | doub | 1.21Å | 1.25Å | |
| C | O | sing | 1.34Å | 1.23Å | |
| CAO | CAX | doub | 1.36Å | 1.38Å | Aromatic |
| CAX | CAT | sing | 1.47Å | 1.39Å | |
| CAT | OAD | doub | 1.22Å | 1.23Å | |
| CAT | NAQ | sing | 1.35Å | 1.29Å | |
| NAQ | SBB | sing | 1.66Å | 1.66Å | |
| SBB | OAF | doub | 1.42Å | 1.53Å | |
| SBB | OAE | doub | 1.42Å | 1.40Å | |
| SBB | CAW | sing | 1.76Å | 1.55Å | |
| CAW | CAJ | doub | 1.38Å | 1.36Å | Aromatic |
| CAW | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.44Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAU | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAU | sing | 1.38Å | 1.42Å | Aromatic |
| CAU | CAB | sing | 1.51Å | 1.40Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAL | 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 | |
| CAN | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| NAQ | H11 | sing | 0.97Å | 1.00Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| CAK | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAR | CAV | 114.3° | 117.0° |
| OAR | CAA | H6 | 109.5° | 109.5° |
| OAR | CAA | H7 | 109.5° | 109.5° |
| OAR | CAA | H8 | 109.5° | 109.5° |
| OAR | CAV | CAL | 114.2° | 119.8° |
| OAR | CAV | CAN | 126.1° | 119.8° |
| CAV | CAL | CAM | 120.0° | 120.6° |
| CAL | CAV | CAN | 119.6° | 120.4° |
| CAV | CAL | H5 | 120.0° | 119.7° |
| CAL | CAM | CAZ | 118.6° | 120.0° |
| CAL | CAM | H4 | 120.7° | 120.0° |
| CAM | CAL | H5 | 120.0° | 119.7° |
| CAV | CAN | CAY | 119.0° | 119.6° |
| CAV | CAN | H9 | 120.5° | 120.1° |
| CAM | CAZ | CAY | 122.7° | 119.7° |
| CAM | CAZ | N | 129.1° | 133.0° |
| CAZ | CAM | H4 | 120.7° | 120.0° |
| CAN | CAY | CAZ | 120.1° | 119.7° |
| CAN | CAY | CAO | 133.3° | 133.3° |
| CAY | CAN | H9 | 120.5° | 120.2° |
| CAY | CAZ | N | 108.2° | 107.3° |
| CAZ | CAY | CAO | 106.6° | 107.0° |
| CAZ | N | CA | 122.9° | 125.7° |
| CAZ | N | CAX | 109.6° | 108.7° |
| CAY | CAO | CAX | 108.6° | 107.7° |
| CAY | CAO | H10 | 125.7° | 126.1° |
| N | CA | C | 121.6° | 109.4° |
| CA | N | CAX | 126.8° | 125.6° |
| N | CA | H2 | 106.3° | 109.5° |
| N | CA | H3 | 106.4° | 109.5° |
| CA | C | OXT | 112.9° | 120.0° |
| CA | C | O | 119.0° | 120.0° |
| C | CA | H2 | 106.4° | 109.5° |
| C | CA | H3 | 106.4° | 109.4° |
| N | CAX | CAO | 106.9° | 109.2° |
| N | CAX | CAT | 124.0° | 125.4° |
| OXT | C | O | 127.9° | 120.0° |
| C | O | H1 | 109.5° | 117.0° |
| CAO | CAX | CAT | 129.0° | 125.4° |
| CAX | CAO | H10 | 125.7° | 126.1° |
| CAX | CAT | OAD | 124.9° | 120.0° |
| CAX | CAT | NAQ | 116.8° | 120.0° |
| OAD | CAT | NAQ | 118.2° | 120.0° |
| CAT | NAQ | SBB | 121.3° | 120.0° |
| CAT | NAQ | H11 | 119.4° | 120.0° |
| NAQ | SBB | OAF | 119.1° | 106.4° |
| NAQ | SBB | OAE | 110.1° | 106.4° |
| NAQ | SBB | CAW | 109.0° | 107.2° |
| SBB | NAQ | H11 | 119.3° | 120.0° |
| OAF | SBB | OAE | 94.8° | 123.2° |
| OAF | SBB | CAW | 109.6° | 106.4° |
| OAE | SBB | CAW | 113.9° | 106.4° |
| SBB | CAW | CAJ | 117.2° | 120.0° |
| SBB | CAW | CAK | 118.7° | 120.0° |
| CAJ | CAW | CAK | 123.9° | 120.0° |
| CAW | CAJ | CAH | 117.5° | 120.0° |
| CAW | CAJ | H12 | 121.2° | 120.0° |
| CAW | CAK | CAI | 118.3° | 120.0° |
| CAW | CAK | H18 | 120.9° | 119.9° |
| CAJ | CAH | CAU | 121.1° | 120.0° |
| CAH | CAJ | H12 | 121.2° | 120.0° |
| CAJ | CAH | H13 | 119.4° | 120.1° |
| CAK | CAI | CAU | 120.4° | 120.0° |
| CAK | CAI | H17 | 119.8° | 120.0° |
| CAI | CAK | H18 | 120.9° | 120.0° |
| CAH | CAU | CAI | 118.6° | 120.0° |
| CAH | CAU | CAB | 121.2° | 120.0° |
| CAU | CAH | H13 | 119.4° | 120.0° |
| CAI | CAU | CAB | 120.1° | 120.0° |
| CAU | CAI | H17 | 119.8° | 120.0° |
| CAU | CAB | H14 | 109.5° | 109.4° |
| CAU | CAB | H15 | 109.4° | 109.5° |
| CAU | CAB | H16 | 109.5° | 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° | 109.4° |
| H14 | CAB | H15 | 109.5° | 109.5° |
| H14 | CAB | H16 | 109.5° | 109.4° |
| H15 | CAB | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAR | CAV | CAL | 154.1° | 0.0° |
| CAA | OAR | CAV | CAN | 28.6° | 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° |
| OAR | CAV | CAL | CAN | 177.4° | 179.9° |
| OAR | CAV | CAL | CAM | 179.0° | 180.0° |
| OAR | CAV | CAN | CAY | 178.9° | 180.0° |
| OAR | CAV | CAL | H5 | 1.1° | 0.0° |
| CAV | OAR | CAA | H6 | 180.0° | 180.0° |
| CAV | OAR | CAA | H7 | 60.0° | 60.0° |
| CAV | OAR | CAA | H8 | 60.0° | 60.0° |
| OAR | CAV | CAN | H9 | 1.1° | 0.0° |
| CAV | CAL | CAM | H5 | 180.0° | 180.0° |
| CAV | CAL | CAM | CAZ | 2.4° | 0.0° |
| CAL | CAV | CAN | CAY | 4.0° | 0.0° |
| CAV | CAL | CAM | H4 | 177.6° | 180.0° |
| CAL | CAV | CAN | H9 | 176.0° | 180.0° |
| CAM | CAL | CAV | CAN | 3.6° | 0.1° |
| CAL | CAM | CAZ | H4 | 180.0° | 179.9° |
| CAL | CAM | CAZ | CAY | 1.6° | 0.1° |
| CAL | CAM | CAZ | N | 179.4° | 180.0° |
| CAV | CAN | CAY | H9 | 180.0° | 180.0° |
| CAV | CAN | CAY | CAZ | 3.2° | 0.0° |
| CAV | CAN | CAY | CAO | 178.6° | 179.9° |
| CAN | CAV | CAL | H5 | 176.4° | 179.9° |
| CAM | CAZ | CAY | CAN | 2.0° | 0.1° |
| CAM | CAZ | CAY | N | 179.2° | 179.9° |
| CAM | CAZ | CAY | CAO | 179.3° | 180.0° |
| CAM | CAZ | N | CA | 6.4° | 0.1° |
| CAM | CAZ | N | CAX | 177.6° | 179.7° |
| CAZ | CAM | CAL | H5 | 177.6° | 180.0° |
| CAN | CAY | CAZ | CAO | 178.7° | 179.9° |
| CAN | CAY | CAZ | N | 178.8° | 180.0° |
| CAN | CAY | CAO | CAX | 180.0° | 179.8° |
| CAN | CAY | CAO | H10 | 0.0° | 0.1° |
| CAY | CAZ | N | CA | 172.8° | 180.0° |
| CAY | CAZ | N | CAX | 1.5° | 0.2° |
| CAZ | CAY | CAO | CAX | 1.6° | 0.3° |
| CAY | CAZ | CAM | H4 | 178.4° | 180.0° |
| CAZ | CAY | CAN | H9 | 176.8° | 180.0° |
| CAZ | CAY | CAO | H10 | 178.4° | 180.0° |
| N | CAZ | CAY | CAO | 0.1° | 0.1° |
| CAZ | N | CA | CAX | 169.7° | 179.8° |
| CAZ | N | CA | C | 123.6° | 94.8° |
| CAZ | N | CAX | CAO | 2.5° | 0.4° |
| CAZ | N | CAX | CAT | 179.3° | 179.8° |
| CAZ | N | CA | H2 | 114.7° | 145.2° |
| CAZ | N | CA | H3 | 1.9° | 25.1° |
| N | CAZ | CAM | H4 | 0.6° | 0.0° |
| CAY | CAO | CAX | N | 2.5° | 0.5° |
| CAY | CAO | CAX | H10 | 180.0° | 179.7° |
| CAY | CAO | CAX | CAT | 179.1° | 179.8° |
| CAO | CAY | CAN | H9 | 1.4° | 0.1° |
| N | CA | C | H2 | 121.7° | 120.0° |
| N | CA | C | H3 | 121.7° | 119.9° |
| N | CA | C | OXT | 172.5° | 0.0° |
| N | CA | C | O | 13.1° | 180.0° |
| CA | N | CAX | CAO | 173.3° | 179.8° |
| CA | N | CAX | CAT | 9.9° | 0.0° |
| N | CA | H2 | H3 | 114.5° | 120.0° |
| C | CA | N | CAX | 66.7° | 85.0° |
| CA | C | OXT | O | 173.8° | 180.0° |
| CA | C | O | H1 | 173.4° | 180.0° |
| C | CA | H2 | H3 | 114.6° | 120.0° |
| N | CAX | CAO | CAT | 176.6° | 179.8° |
| N | CAX | CAT | OAD | 24.4° | 4.8° |
| N | CAX | CAT | NAQ | 153.1° | 175.2° |
| CAX | N | CA | H2 | 55.0° | 35.0° |
| CAX | N | CA | H3 | 171.6° | 155.1° |
| N | CAX | CAO | H10 | 177.5° | 179.8° |
| OXT | C | O | H1 | 0.0° | 0.0° |
| OXT | C | CA | H2 | 50.9° | 120.0° |
| OXT | C | CA | H3 | 65.8° | 120.0° |
| O | C | CA | H2 | 134.7° | 60.0° |
| O | C | CA | H3 | 108.6° | 60.1° |
| CAO | CAX | CAT | OAD | 159.6° | 175.0° |
| CAO | CAX | CAT | NAQ | 23.0° | 5.1° |
| CAX | CAT | OAD | NAQ | 177.4° | 179.9° |
| CAX | CAT | NAQ | SBB | 177.3° | 175.0° |
| CAT | CAX | CAO | H10 | 0.9° | 0.1° |
| CAX | CAT | NAQ | H11 | 2.7° | 5.1° |
| OAD | CAT | NAQ | SBB | 5.1° | 5.1° |
| OAD | CAT | NAQ | H11 | 175.0° | 174.9° |
| CAT | NAQ | SBB | H11 | 180.0° | 180.0° |
| CAT | NAQ | SBB | OAF | 40.9° | 48.5° |
| CAT | NAQ | SBB | OAE | 148.7° | 178.5° |
| CAT | NAQ | SBB | CAW | 85.7° | 65.0° |
| NAQ | SBB | OAF | OAE | 116.2° | 123.0° |
| NAQ | SBB | OAF | CAW | 126.3° | 114.1° |
| NAQ | SBB | OAE | CAW | 122.8° | 114.1° |
| NAQ | SBB | CAW | CAJ | 61.9° | 90.0° |
| NAQ | SBB | CAW | CAK | 123.2° | 90.2° |
| OAF | SBB | OAE | CAW | 113.9° | 122.9° |
| OAF | SBB | CAW | CAJ | 166.2° | 156.5° |
| OAF | SBB | CAW | CAK | 8.7° | 23.3° |
| OAF | SBB | NAQ | H11 | 139.1° | 131.5° |
| OAE | SBB | CAW | CAJ | 61.5° | 23.6° |
| OAE | SBB | CAW | CAK | 113.4° | 156.2° |
| OAE | SBB | NAQ | H11 | 31.4° | 1.5° |
| SBB | CAW | CAJ | CAK | 174.6° | 179.8° |
| SBB | CAW | CAJ | CAH | 176.8° | 180.0° |
| SBB | CAW | CAK | CAI | 177.4° | 179.8° |
| CAW | SBB | NAQ | H11 | 94.3° | 115.0° |
| SBB | CAW | CAJ | H12 | 3.2° | 0.0° |
| SBB | CAW | CAK | H18 | 2.6° | 0.1° |
| CAW | CAJ | CAH | H12 | 180.0° | 180.0° |
| CAJ | CAW | CAK | CAI | 2.9° | 0.4° |
| CAW | CAJ | CAH | CAU | 2.4° | 0.1° |
| CAW | CAJ | CAH | H13 | 177.6° | 180.0° |
| CAJ | CAW | CAK | H18 | 177.1° | 179.7° |
| CAK | CAW | CAJ | CAH | 2.2° | 0.3° |
| CAW | CAK | CAI | H18 | 180.0° | 179.9° |
| CAW | CAK | CAI | CAU | 3.8° | 0.3° |
| CAK | CAW | CAJ | H12 | 177.9° | 179.8° |
| CAW | CAK | CAI | H17 | 176.3° | 179.8° |
| CAJ | CAH | CAU | H13 | 180.0° | 179.9° |
| CAJ | CAH | CAU | CAI | 3.4° | 0.0° |
| CAJ | CAH | CAU | CAB | 179.1° | 180.0° |
| CAK | CAI | CAU | CAH | 4.1° | 0.1° |
| CAK | CAI | CAU | H17 | 180.0° | 179.9° |
| CAK | CAI | CAU | CAB | 179.8° | 179.9° |
| CAH | CAU | CAI | CAB | 175.7° | 180.0° |
| CAU | CAH | CAJ | H12 | 177.6° | 180.0° |
| CAH | CAU | CAB | H14 | 87.8° | 90.0° |
| CAH | CAU | CAB | H15 | 152.2° | 149.9° |
| CAH | CAU | CAB | H16 | 32.2° | 29.9° |
| CAH | CAU | CAI | H17 | 175.9° | 180.0° |
| CAI | CAU | CAH | H13 | 176.6° | 179.9° |
| CAI | CAU | CAB | H14 | 87.8° | 90.0° |
| CAI | CAU | CAB | H15 | 32.2° | 30.0° |
| CAI | CAU | CAB | H16 | 152.2° | 150.1° |
| CAU | CAI | CAK | H18 | 176.2° | 179.8° |
| CAB | CAU | CAH | H13 | 0.9° | 0.1° |
| CAU | CAB | H14 | H15 | 120.0° | 120.0° |
| CAU | CAB | H14 | H16 | 120.0° | 119.9° |
| CAU | CAB | H15 | H16 | 120.0° | 120.0° |
| CAB | CAU | CAI | H17 | 0.2° | 0.0° |
| H4 | CAM | CAL | H5 | 2.4° | 0.1° |
| H6 | CAA | H7 | H8 | 120.0° | 119.9° |
| H12 | CAJ | CAH | H13 | 2.4° | 0.1° |
| H14 | CAB | H15 | H16 | 120.0° | 120.0° |
| H17 | CAI | CAK | H18 | 3.8° | 0.1° |
